data_r6vqfsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2020-04-08 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      6vqf 
_cell.length_a      61.507 
_cell.length_b      61.507 
_cell.length_c      157.911 
_cell.angle_alpha   90.000 
_cell.angle_beta    90.000 
_cell.angle_gamma   90.000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             "   data as used in refinement and resulting electron density maps." 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.0 
# 
_entry.id   6vqf 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               6vqf 
_symmetry.space_group_name_H-M   "P 41 21 2" 
_symmetry.Int_Tables_number      92 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.pdbx_r_free_flag 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.F_calc 
_refln.phase_calc 
_refln.pdbx_HL_A_iso 
_refln.pdbx_HL_B_iso 
_refln.pdbx_HL_C_iso 
_refln.pdbx_HL_D_iso 
_refln.pdbx_FWT 
_refln.pdbx_PHWT 
_refln.pdbx_DELFWT 
_refln.pdbx_DELPHWT 
_refln.fom 
1 1 1 0  0  4  o 17 7.69553e+00 4.28622e+00 1.08454e+03 0.000   1.90242e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.08418e+03 180.000 2.16872e+03 180.000 0.0190 
1 1 1 0  0  8  o 13 1.03199e+03 2.50413e+01 8.59309e+00 180.000 -5.32210e-03 0.00000e+00  0.00000e+00 0.00000e+00 5.08642e+00 180.000 3.50668e+00 0.000   0.0053 
1 1 1 0  0  12 o 3  7.93281e+02 1.36499e+01 6.64352e+02 180.000 -3.90230e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.30304e+03 180.000 6.38689e+02 180.000 0.9992 
1 1 1 0  0  16 o 6  4.90881e+02 8.64577e+00 3.65468e+02 180.000 -1.09862e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.04567e+02 180.000 2.39099e+02 180.000 0.8000 
1 1 1 0  0  20 o 7  1.33912e+03 2.29760e+01 2.07061e+03 180.000 -3.13430e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.21671e+03 180.000 8.53895e+02 0.000   1.0000 
1 1 1 0  0  24 o 9  6.66655e+02 1.16673e+01 9.64152e+02 0.000   1.18063e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.59997e+02 0.000   3.04155e+02 180.000 1.0000 
1 1 1 0  0  28 o 16 5.24594e+02 9.38307e+00 5.76236e+02 0.000   6.06446e+00  0.00000e+00  0.00000e+00 0.00000e+00 6.90387e+02 0.000   1.14151e+02 0.000   1.0000 
1 1 1 0  0  32 o 15 9.99101e+02 1.72896e+01 1.24751e+03 0.000   2.11614e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.13998e+03 0.000   1.07522e+02 180.000 1.0000 
1 1 1 0  0  36 o 1  2.48742e+03 4.27510e+01 2.82178e+03 180.000 -1.29408e+02 0.00000e+00  0.00000e+00 0.00000e+00 3.05292e+03 180.000 2.31137e+02 180.000 1.0000 
1 1 1 0  0  40 o 11 8.37532e+02 1.46761e+01 1.05590e+03 0.000   2.18002e+01  0.00000e+00  0.00000e+00 0.00000e+00 8.96384e+02 0.000   1.59514e+02 180.000 1.0000 
1 1 1 0  0  48 o 5  9.05334e+02 1.59122e+01 1.07060e+03 0.000   5.03533e+01  0.00000e+00  0.00000e+00 0.00000e+00 9.76607e+02 0.000   9.39908e+01 180.000 1.0000 
1 1 1 0  0  52 o 6  7.01538e+01 2.51008e+01 8.51435e+01 180.000 -4.69896e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.68312e+01 0.000   1.01975e+02 0.000   0.4381 
1 1 1 0  0  56 o 14 3.49197e+01 2.19199e+01 1.96965e+02 180.000 -6.26556e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.54634e+02 0.000   3.51599e+02 0.000   0.5557 
1 1 1 0  0  60 o 16 5.44084e+02 1.53092e+01 3.96600e+02 0.000   3.44866e+01  0.00000e+00  0.00000e+00 0.00000e+00 7.66825e+02 0.000   3.70225e+02 0.000   1.0000 
1 1 1 0  0  64 o 7  1.51441e+02 7.12225e+00 1.04949e+02 180.000 -3.00617e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.10476e+02 180.000 1.05527e+02 180.000 0.9951 
1 1 1 1  0  1  f 0  1.85892e+01 2.46337e+00 4.63294e+02 135.000 -1.15996e-01 1.15996e-01  0.00000e+00 0.00000e+00 4.55745e+02 315.000 9.19038e+02 315.000 0.1626 
1 1 1 1  0  2  o 17 3.66847e+00 2.64293e+00 2.82524e+02 180.000 -1.41965e-02 0.00000e+00  0.00000e+00 0.00000e+00 2.82394e+02 0.000   5.64919e+02 0.000   0.0142 
1 1 1 1  0  3  o 16 3.42877e+00 2.51641e+00 6.69104e+01 225.000 -1.51781e-03 -1.51781e-03 0.00000e+00 0.00000e+00 6.68920e+01 45.000  1.33802e+02 45.000  0.0021 
1 1 1 1  0  4  o 4  3.80185e+02 3.87378e+00 1.06523e+02 270.000 -1.61346e-17 -2.63498e-01 0.00000e+00 0.00000e+00 1.37909e+02 270.000 3.13859e+01 270.000 0.2576 
1 1 1 1  0  5  o 13 2.57166e+02 3.00954e+00 2.29590e+02 315.000 1.96179e-01  -1.96179e-01 0.00000e+00 0.00000e+00 5.59920e+01 135.000 2.85582e+02 135.000 0.2705 
1 1 1 1  0  6  o 11 1.00188e+02 1.50821e+00 2.16876e+02 180.000 -7.66466e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.97761e+02 0.000   4.14637e+02 0.000   0.0765 
1 1 1 1  0  7  f 0  1.77860e+02 2.92214e+00 1.52407e+02 45.000  5.25382e-02  5.25382e-02  0.00000e+00 0.00000e+00 1.19527e+02 225.000 2.71934e+02 225.000 0.0742 
1 1 1 1  0  8  o 9  5.96071e+02 5.51327e+00 3.48525e+02 270.000 0.00000e+00  -5.81308e+00 0.00000e+00 0.00000e+00 1.13628e+03 270.000 7.87753e+02 270.000 1.0000 
1 1 1 1  0  9  o 10 3.20339e+02 2.88243e+00 1.88191e+02 135.000 -9.79296e-01 9.79296e-01  0.00000e+00 0.00000e+00 5.15148e+02 135.000 3.26957e+02 135.000 0.8821 
1 1 1 1  0  10 o 4  1.85543e+02 3.14478e+00 2.59350e+02 180.000 -9.26541e-01 0.00000e+00  0.00000e+00 0.00000e+00 7.70545e+01 180.000 1.82296e+02 0.000   0.7290 
1 1 1 1  0  11 o 11 9.87149e+00 5.95203e+00 1.22416e+02 45.000  1.40401e-02  1.40401e-02  0.00000e+00 0.00000e+00 1.21929e+02 225.000 2.44344e+02 225.000 0.0199 
1 1 1 1  0  12 o 15 4.64651e+02 4.37112e+00 6.11005e+02 90.000  -7.08296e-07 8.10196e+00  0.00000e+00 0.00000e+00 5.42467e+02 90.000  6.85385e+01 270.000 1.0000 
1 1 1 1  0  13 o 6  8.97308e+02 8.24132e+00 9.93199e+02 135.000 -1.57622e+01 1.57622e+01  0.00000e+00 0.00000e+00 1.23192e+03 135.000 2.38721e+02 135.000 1.0000 
1 1 1 1  0  14 o 7  1.51058e+03 1.38166e+01 1.60940e+03 180.000 -7.14771e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.13212e+03 180.000 5.22727e+02 180.000 1.0000 
1 1 1 1  0  15 o 10 1.17549e+02 3.72677e+00 1.17838e+02 45.000  2.59926e-01  2.59926e-01  0.00000e+00 0.00000e+00 1.55131e+01 225.000 1.33351e+02 225.000 0.3519 
1 1 1 1  0  16 o 3  3.38447e+02 3.33592e+00 3.76042e+02 90.000  -2.67356e-07 3.05819e+00  0.00000e+00 0.00000e+00 4.56405e+02 90.000  8.03629e+01 90.000  0.9956 
1 1 1 1  0  17 o 6  4.56692e+02 4.06031e+00 5.33053e+02 135.000 -6.42050e+00 6.42050e+00  0.00000e+00 0.00000e+00 5.93591e+02 135.000 6.05382e+01 135.000 1.0000 
1 1 1 1  0  18 o 7  3.54601e+02 4.14609e+00 4.92327e+02 0.000   5.98838e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.81132e+02 0.000   1.11195e+02 180.000 1.0000 
1 1 1 1  0  19 o 14 2.66419e+02 3.29230e+00 1.98028e+02 225.000 -1.79987e+00 -1.79987e+00 0.00000e+00 0.00000e+00 4.49166e+02 225.000 2.51138e+02 225.000 0.9878 
1 1 1 1  0  20 o 8  1.12047e+03 9.62860e+00 1.55920e+03 90.000  0.00000e+00  1.04441e+02  0.00000e+00 0.00000e+00 1.19176e+03 90.000  3.67441e+02 270.000 1.0000 
1 1 1 1  0  21 o 2  1.46688e+02 2.66050e+00 4.33088e+01 135.000 -2.53668e-01 2.53668e-01  0.00000e+00 0.00000e+00 8.04002e+01 135.000 3.70914e+01 135.000 0.3441 
1 1 1 1  0  22 o 7  2.63814e+02 2.85210e+00 4.66692e+02 180.000 -8.88748e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.78676e+02 180.000 2.88015e+02 0.000   1.0000 
1 1 1 1  0  23 o 13 2.01724e+02 2.38207e+00 2.49835e+02 45.000  2.44751e+00  2.44751e+00  0.00000e+00 0.00000e+00 2.41717e+02 45.000  8.11820e+00 225.000 0.9980 
1 1 1 1  0  24 o 16 7.99735e+02 6.93875e+00 1.00622e+03 270.000 0.00000e+00  -5.87012e+01 0.00000e+00 0.00000e+00 9.42426e+02 270.000 6.37952e+01 90.000  1.0000 
1 1 1 1  0  25 o 14 4.56419e+02 4.40676e+00 1.67400e+02 315.000 4.35033e+00  -4.35033e+00 0.00000e+00 0.00000e+00 9.42359e+02 315.000 7.74959e+02 315.000 1.0000 
1 1 1 1  0  26 f 0  6.37337e+02 5.59547e+00 7.54066e+02 0.000   4.69058e+01  0.00000e+00  0.00000e+00 0.00000e+00 7.92194e+02 0.000   3.81279e+01 0.000   1.0000 
1 1 1 1  0  27 o 13 5.87679e+02 5.19296e+00 7.77602e+02 225.000 -3.02884e+01 -3.02884e+01 0.00000e+00 0.00000e+00 6.44926e+02 225.000 1.32676e+02 45.000  1.0000 
1 1 1 1  0  28 o 4  3.38628e+02 3.27535e+00 6.71359e+02 90.000  1.11422e-15  1.81966e+01  0.00000e+00 0.00000e+00 1.46376e+02 90.000  5.24983e+02 270.000 1.0000 
1 1 1 1  0  29 o 17 8.26849e+01 3.39730e+00 6.25420e+01 135.000 -2.75798e-01 2.75798e-01  0.00000e+00 0.00000e+00 1.14325e+01 135.000 5.11095e+01 315.000 0.3714 
1 1 1 1  0  30 o 17 4.58556e+01 5.84273e+00 1.27558e+02 0.000   5.07720e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.59745e+01 180.000 2.03533e+02 180.000 0.4682 
1 1 1 1  0  31 o 16 1.33204e+02 2.68015e+00 1.68917e+02 45.000  1.31280e+00  1.31280e+00  0.00000e+00 0.00000e+00 1.35098e+02 45.000  3.38188e+01 225.000 0.9524 
1 1 1 1  0  32 o 12 3.94263e+01 7.94017e+00 1.23089e+02 270.000 0.00000e+00  -3.28641e-01 0.00000e+00 0.00000e+00 9.31909e+01 90.000  2.16280e+02 90.000  0.3173 
1 1 1 1  0  33 o 17 2.02154e+02 2.69511e+00 1.16472e+02 315.000 1.33182e+00  -1.33182e+00 0.00000e+00 0.00000e+00 3.43542e+02 315.000 2.27070e+02 315.000 0.9548 
1 1 1 1  0  34 o 9  4.69661e+02 4.32363e+00 6.86959e+02 180.000 -2.10517e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.29148e+02 180.000 2.57810e+02 0.000   1.0000 
1 1 1 1  0  35 o 18 2.90730e+02 3.10815e+00 3.08704e+02 45.000  5.27064e+00  5.27064e+00  0.00000e+00 0.00000e+00 3.80134e+02 45.000  7.14309e+01 45.000  1.0000 
1 1 1 1  0  36 o 10 1.86488e+02 2.79803e+00 1.46557e+02 270.000 0.00000e+00  -2.09011e+00 0.00000e+00 0.00000e+00 2.80673e+02 270.000 1.34115e+02 270.000 0.9699 
1 1 1 1  0  37 o 14 1.42292e+02 3.00715e+00 1.49654e+02 135.000 -1.36966e+00 1.36966e+00  0.00000e+00 0.00000e+00 1.71758e+02 135.000 2.21038e+01 135.000 0.9593 
1 1 1 1  0  38 o 13 3.55156e+01 1.05650e+01 7.81388e+00 0.000   2.72483e-02  0.00000e+00  0.00000e+00 0.00000e+00 5.54309e+00 180.000 1.33570e+01 180.000 0.0272 
1 1 1 1  0  39 o 6  2.72756e+02 3.11143e+00 3.98411e+02 225.000 -7.38898e+00 -7.38898e+00 0.00000e+00 0.00000e+00 2.39643e+02 225.000 1.58767e+02 45.000  1.0000 
1 1 1 1  0  40 o 11 3.15585e+02 4.39215e+00 3.88498e+02 90.000  7.41090e-16  1.21029e+01  0.00000e+00 0.00000e+00 3.47234e+02 90.000  4.12637e+01 270.000 1.0000 
1 1 1 1  0  41 o 17 4.23632e+02 4.34048e+00 4.54047e+02 315.000 1.53923e+01  -1.53923e+01 0.00000e+00 0.00000e+00 5.30132e+02 315.000 7.60855e+01 315.000 1.0000 
1 1 1 1  0  42 o 17 1.48981e+02 3.40888e+00 1.12804e+02 180.000 -2.09425e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.21764e+02 180.000 1.08960e+02 180.000 0.9701 
1 1 1 1  0  44 o 19 2.75792e+02 3.68051e+00 3.11052e+02 90.000  0.00000e+00  1.23787e+01  0.00000e+00 0.00000e+00 3.22656e+02 90.000  1.16039e+01 90.000  1.0000 
1 1 1 1  0  45 o 16 8.55826e+01 5.09703e+00 1.53415e+02 135.000 -1.45818e+00 1.45818e+00  0.00000e+00 0.00000e+00 3.62459e+01 135.000 1.17169e+02 315.000 0.9682 
1 1 1 1  0  47 f 0  5.59861e+02 5.14337e+00 6.06204e+02 225.000 -4.47039e+01 -4.47039e+01 0.00000e+00 0.00000e+00 6.65171e+02 225.000 5.89663e+01 225.000 1.0000 
1 1 1 1  0  48 o 10 1.77183e+02 3.55303e+00 2.20469e+02 270.000 7.16728e-07  -8.19841e+00 0.00000e+00 0.00000e+00 1.80247e+02 270.000 4.02219e+01 90.000  1.0000 
1 1 1 1  0  49 o 3  2.04059e+02 5.39534e+00 1.42873e+02 315.000 4.23513e+00  -4.23513e+00 0.00000e+00 0.00000e+00 3.16692e+02 315.000 1.73819e+02 315.000 1.0000 
1 1 1 1  0  50 o 13 4.42164e+02 4.63089e+00 3.56038e+02 0.000   4.12992e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.35537e+02 0.000   2.79500e+02 0.000   1.0000 
1 1 1 1  0  51 o 3  1.65562e+02 3.63480e+00 1.15622e+02 225.000 -3.22289e+00 -3.22290e+00 0.00000e+00 0.00000e+00 2.53964e+02 225.000 1.38343e+02 225.000 0.9998 
1 1 1 1  0  52 o 2  7.19550e+01 6.09435e+00 3.97614e+01 90.000  -8.20253e-08 9.38260e-01  0.00000e+00 0.00000e+00 7.77087e+01 90.000  3.79473e+01 90.000  0.7344 
1 1 1 1  0  53 o 19 2.51075e+02 3.55178e+00 2.70220e+02 135.000 -1.56968e+01 1.56968e+01  0.00000e+00 0.00000e+00 2.85373e+02 135.000 1.51527e+01 135.000 1.0000 
1 1 1 1  0  54 o 16 2.29108e+02 3.50570e+00 3.16475e+02 180.000 -2.61219e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.88173e+02 180.000 1.28302e+02 0.000   1.0000 
1 1 1 1  0  55 o 3  3.29479e+02 4.25671e+00 3.45407e+02 45.000  3.50668e+01  3.50668e+01  0.00000e+00 0.00000e+00 3.76920e+02 45.000  3.15131e+01 45.000  1.0000 
1 1 1 1  0  56 o 11 2.50145e+02 3.78723e+00 1.86822e+02 270.000 1.55169e-06  -1.77493e+01 0.00000e+00 0.00000e+00 3.58960e+02 270.000 1.72138e+02 270.000 1.0000 
1 1 1 1  0  57 o 3  1.64958e+02 4.49487e+00 1.45031e+02 315.000 8.28057e+00  -8.28057e+00 0.00000e+00 0.00000e+00 2.13135e+02 315.000 6.81040e+01 315.000 1.0000 
1 1 1 1  0  58 f 0  2.25749e+02 4.23475e+00 2.27196e+02 0.000   2.82140e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.60538e+02 0.000   3.33420e+01 0.000   1.0000 
1 1 1 1  0  59 o 10 2.59665e+02 1.16323e+01 2.82333e+02 225.000 -2.79159e+01 -2.79159e+01 0.00000e+00 0.00000e+00 2.75851e+02 225.000 6.48179e+00 45.000  1.0000 
1 1 1 1  0  60 o 7  1.78361e+02 3.75431e+00 2.00629e+02 90.000  1.44283e-15  2.35632e+01  0.00000e+00 0.00000e+00 1.80817e+02 90.000  1.98118e+01 270.000 1.0000 
1 1 1 1  0  61 o 6  9.56206e+01 5.43866e+00 4.67653e+01 135.000 -1.98498e+00 1.98498e+00  0.00000e+00 0.00000e+00 1.55189e+02 135.000 1.08424e+02 135.000 0.9927 
1 1 1 1  0  62 o 11 5.25442e+01 9.52443e+00 4.66090e+01 180.000 -1.61528e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.61289e+01 180.000 9.51995e+00 180.000 0.9239 
1 1 1 1  0  63 o 5  1.74584e+02 3.94499e+00 1.54883e+02 45.000  1.50972e+01  1.50972e+01  0.00000e+00 0.00000e+00 2.12590e+02 45.000  5.77071e+01 45.000  1.0000 
1 1 1 1  0  64 o 1  1.58794e+02 3.91467e+00 1.05512e+02 270.000 1.10456e-06  -1.26347e+01 0.00000e+00 0.00000e+00 2.26900e+02 270.000 1.21388e+02 270.000 1.0000 
1 1 1 1  0  65 o 16 1.88675e+01 1.19289e+01 8.14337e+00 315.000 8.37199e-02  -8.37199e-02 0.00000e+00 0.00000e+00 3.51465e+00 135.000 1.16580e+01 135.000 0.1178 
1 1 1 1  0  66 o 5  7.37218e+01 8.25726e+00 1.01851e+02 180.000 -6.71796e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.07534e+01 180.000 5.10972e+01 0.000   1.0000 
1 1 1 1  0  67 o 15 1.56740e+01 1.09257e+01 2.16793e+00 225.000 -2.31889e-02 -2.31889e-02 0.00000e+00 0.00000e+00 1.11039e+00 45.000  3.27832e+00 45.000  0.0328 
1 1 1 1  0  68 o 13 3.21247e+01 1.59609e+01 3.78462e-01 270.000 9.54765e-10  -1.09212e-02 0.00000e+00 0.00000e+00 3.39407e-01 270.000 3.90551e-02 90.000  0.0109 
1 1 1 1  0  69 o 3  2.32383e+01 1.42105e+01 4.32989e+01 315.000 7.52406e-01  -7.52406e-01 0.00000e+00 0.00000e+00 6.08709e+00 135.000 4.93860e+01 135.000 0.7872 
1 1 1 1  1  0  o 7  7.33110e+00 4.70724e+00 9.79783e+01 0.000   3.96512e-03  0.00000e+00  0.00000e+00 0.00000e+00 9.79056e+01 180.000 1.95884e+02 180.000 0.0040 
1 1 1 1  1  1  o 1  5.27452e+00 3.47103e+00 1.17204e+03 90.000  0.00000e+00  6.35082e-02  0.00000e+00 0.00000e+00 1.17120e+03 270.000 2.34323e+03 270.000 0.0634 
1 1 1 1  1  2  o 18 5.54183e+00 3.72594e+00 3.96866e+02 180.000 -1.87110e-02 0.00000e+00  0.00000e+00 0.00000e+00 3.96607e+02 0.000   7.93473e+02 0.000   0.0187 
1 1 1 1  1  3  o 7  2.85648e+02 2.79780e+00 5.83219e+02 270.000 -6.75966e-17 -1.10394e+00 0.00000e+00 0.00000e+00 1.11777e+01 90.000  5.94396e+02 90.000  0.8019 
1 1 1 1  1  4  o 12 3.64788e+02 3.48974e+00 2.21186e+02 0.000   4.09521e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.32231e+02 0.000   8.89550e+01 180.000 0.3881 
1 1 1 1  1  5  o 2  4.46424e+02 4.19922e+00 1.18942e+02 270.000 -1.27366e-17 -2.08004e-01 0.00000e+00 0.00000e+00 1.09507e+02 270.000 9.43450e+00 90.000  0.2051 
1 1 1 1  1  6  o 1  3.01886e+02 2.95842e+00 9.66677e+01 0.000   8.98226e-02  0.00000e+00  0.00000e+00 0.00000e+00 2.92106e+01 180.000 1.25878e+02 180.000 0.0896 
1 1 1 1  1  7  o 13 2.20164e+02 2.73259e+00 4.19900e+02 270.000 1.99552e-08  -2.28261e-01 0.00000e+00 0.00000e+00 2.96747e+02 90.000  7.16647e+02 90.000  0.2244 
1 1 1 1  1  8  o 16 1.52077e+01 7.34038e+00 1.96324e+02 0.000   7.69177e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.93416e+02 180.000 3.89740e+02 180.000 0.0768 
1 1 1 1  1  9  o 12 1.00233e+02 2.00835e+00 1.90284e+02 90.000  0.00000e+00  4.10528e-01  0.00000e+00 0.00000e+00 9.32346e+01 270.000 2.83519e+02 270.000 0.3889 
1 1 1 1  1  10 o 3  2.34700e+02 2.48471e+00 1.01281e+02 180.000 -4.34222e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.37410e+02 180.000 3.61293e+01 180.000 0.4088 
1 1 1 1  1  11 o 4  1.50767e+02 2.55488e+00 2.39604e+01 270.000 -3.48315e-18 -5.68842e-02 0.00000e+00 0.00000e+00 2.66902e+00 90.000  2.66294e+01 90.000  0.0568 
1 1 1 1  1  12 o 12 1.12929e+03 1.03481e+01 1.02057e+03 180.000 -3.16237e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.78322e+03 180.000 7.62652e+02 180.000 1.0000 
1 1 1 1  1  13 f 0  1.69714e+02 2.86814e+00 3.84068e+02 270.000 1.38526e-07  -1.58456e+00 0.00000e+00 0.00000e+00 2.88086e+00 270.000 3.81187e+02 90.000  0.9193 
1 1 1 1  1  14 o 19 2.14229e+02 2.87854e+00 4.63778e+02 0.000   2.86543e+00  0.00000e+00  0.00000e+00 0.00000e+00 6.34861e+01 0.000   4.00292e+02 180.000 0.9935 
1 1 1 1  1  15 o 5  3.78074e+02 3.99082e+00 2.81183e+02 270.000 2.41243e-07  -2.75950e+00 0.00000e+00 0.00000e+00 6.46752e+02 270.000 3.65569e+02 270.000 0.9920 
1 1 1 1  1  16 o 8  4.22235e+02 4.06326e+00 1.12312e+02 0.000   1.90169e+00  0.00000e+00  0.00000e+00 0.00000e+00 8.85455e+02 0.000   7.73144e+02 0.000   0.9564 
1 1 1 1  1  17 o 18 2.02985e+02 3.28045e+00 4.43207e+01 270.000 2.88685e-08  -3.30217e-01 0.00000e+00 0.00000e+00 1.15301e+02 270.000 7.09808e+01 270.000 0.3187 
1 1 1 1  1  18 o 9  1.04954e+03 9.65235e+00 1.06165e+03 180.000 -5.68623e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.52400e+03 180.000 4.62353e+02 180.000 1.0000 
1 1 1 1  1  19 o 14 1.53406e+02 2.23169e+00 2.83468e+02 90.000  -1.81313e-07 2.07398e+00  0.00000e+00 0.00000e+00 8.21243e+01 90.000  2.01344e+02 270.000 0.9689 
1 1 1 1  1  20 o 16 5.74781e+01 3.83044e+00 1.98109e+02 0.000   6.77607e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.14842e+02 180.000 3.12951e+02 180.000 0.5900 
1 1 1 1  1  21 o 8  3.03286e+02 3.19067e+00 4.43240e+02 90.000  -6.57558e-07 7.52159e+00  0.00000e+00 0.00000e+00 3.00173e+02 90.000  1.43067e+02 270.000 1.0000 
1 1 1 1  1  22 o 17 8.39179e+01 4.11432e+00 2.66511e+02 180.000 -1.60138e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.72335e+01 0.000   3.43745e+02 0.000   0.9219 
1 1 1 1  1  23 o 8  2.09311e+02 2.86459e+00 2.14832e+02 270.000 2.99930e-07  -3.43080e+00 0.00000e+00 0.00000e+00 2.95216e+02 270.000 8.03833e+01 270.000 0.9979 
1 1 1 1  1  24 o 7  5.78448e+02 5.11305e+00 9.36560e+02 180.000 -3.93667e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.73095e+02 180.000 4.63465e+02 0.000   1.0000 
1 1 1 1  1  25 o 15 1.39118e+01 8.46579e+00 7.97231e+01 90.000  -7.72853e-09 8.84040e-02  0.00000e+00 0.00000e+00 7.67400e+01 270.000 1.56463e+02 270.000 0.0882 
1 1 1 1  1  26 o 19 2.48333e+02 2.68229e+00 4.14174e+01 0.000   1.00177e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.17944e+02 0.000   3.76527e+02 0.000   0.7623 
1 1 1 1  1  27 o 13 1.74723e+02 2.43473e+00 9.84750e+01 270.000 -8.70904e-17 -1.42229e+00 0.00000e+00 0.00000e+00 2.78020e+02 270.000 1.79545e+02 270.000 0.8901 
1 1 1 1  1  28 o 12 3.59910e+02 3.43595e+00 4.10813e+02 0.000   1.17907e+01  0.00000e+00  0.00000e+00 0.00000e+00 4.58439e+02 0.000   4.76263e+01 0.000   1.0000 
1 1 1 1  1  29 o 19 8.57270e+01 3.29946e+00 1.90577e+02 270.000 0.00000e+00  -1.22779e+00 0.00000e+00 0.00000e+00 1.66845e+01 90.000  2.07262e+02 90.000  0.8419 
1 1 1 1  1  30 o 6  2.91356e+01 9.99864e+00 2.16545e+01 0.000   5.41876e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.78641e+01 180.000 3.95186e+01 180.000 0.0541 
1 1 1 1  1  31 o 10 4.58820e+02 4.21405e+00 5.09315e+02 270.000 1.67719e-06  -1.91849e+01 0.00000e+00 0.00000e+00 5.90394e+02 270.000 8.10782e+01 270.000 1.0000 
1 1 1 1  1  32 o 15 1.16694e+02 3.26507e+00 2.71008e+02 180.000 -2.14262e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.50011e-01 180.000 2.70658e+02 0.000   0.9728 
1 1 1 1  1  33 o 3  7.98757e+02 6.97383e+00 7.64103e+02 270.000 0.00000e+00  -4.84613e+01 0.00000e+00 0.00000e+00 1.13983e+03 270.000 3.75731e+02 270.000 1.0000 
1 1 1 1  1  34 o 4  4.06005e+02 3.85465e+00 4.69666e+02 180.000 -1.24004e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.95305e+02 180.000 2.56393e+01 180.000 1.0000 
1 1 1 1  1  35 o 17 4.32775e+02 4.06039e+00 4.22436e+02 90.000  -1.32155e-06 1.51167e+01  0.00000e+00 0.00000e+00 6.03104e+02 90.000  1.80668e+02 90.000  1.0000 
1 1 1 1  1  36 o 13 4.91309e+01 6.60779e+00 1.11714e+02 0.000   4.16886e-01  0.00000e+00  0.00000e+00 0.00000e+00 6.59478e+01 180.000 1.77662e+02 180.000 0.3943 
1 1 1 1  1  37 o 1  1.08715e+02 4.35460e+00 6.91282e+00 90.000  0.00000e+00  6.80532e-02  0.00000e+00 0.00000e+00 1.04836e+01 90.000  3.57076e+00 90.000  0.0679 
1 1 1 1  1  38 o 16 6.19247e+02 5.92802e+00 6.19789e+02 180.000 -3.79090e+01 0.00000e+00  0.00000e+00 0.00000e+00 8.33832e+02 180.000 2.14042e+02 180.000 1.0000 
1 1 1 1  1  39 o 1  2.86183e+02 3.38875e+00 2.49743e+02 270.000 5.98846e-07  -6.85000e+00 0.00000e+00 0.00000e+00 4.19814e+02 270.000 1.70071e+02 270.000 1.0000 
1 1 1 1  1  40 o 13 6.20916e+01 6.19175e+00 2.06788e+02 180.000 -1.26113e+00 0.00000e+00  0.00000e+00 0.00000e+00 8.35290e+01 0.000   2.90317e+02 0.000   0.8514 
1 1 1 1  1  41 o 18 7.72176e+01 5.57674e+00 6.77837e+01 90.000  3.61083e-17  5.89694e-01  0.00000e+00 0.00000e+00 2.72490e+01 90.000  4.05347e+01 270.000 0.5297 
1 1 1 1  1  42 o 4  7.43342e+01 6.62337e+00 1.06265e+02 180.000 -9.77171e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.31264e+01 180.000 8.31388e+01 0.000   0.7518 
1 1 1 1  1  44 o 19 1.26516e+02 3.75783e+00 1.58280e+02 180.000 -2.88227e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.30649e+02 180.000 2.76312e+01 0.000   0.9937 
1 1 1 1  1  45 o 11 3.35569e+01 1.27657e+01 7.32654e+01 270.000 -2.30231e-17 -3.75996e-01 0.00000e+00 0.00000e+00 4.56691e+01 90.000  1.18934e+02 90.000  0.3592 
1 1 1 1  1  47 o 10 2.82496e+01 1.28478e+01 3.26636e+00 270.000 1.68219e-09  -1.92420e-02 0.00000e+00 0.00000e+00 2.03194e+00 90.000  5.29830e+00 90.000  0.0192 
1 1 1 1  1  48 o 6  1.88204e+02 3.18815e+00 2.09956e+02 0.000   8.28082e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.15744e+02 0.000   5.78853e+00 0.000   1.0000 
1 1 1 1  1  49 f 0  1.11104e+02 4.27713e+00 1.47979e+01 270.000 -2.06918e-17 -3.37923e-01 0.00000e+00 0.00000e+00 6.66916e+01 270.000 5.18937e+01 270.000 0.3256 
1 1 1 1  1  50 o 12 5.65218e+01 7.20214e+00 4.29776e+01 180.000 -6.30473e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.78085e+01 180.000 1.51691e+01 0.000   0.5584 
1 1 1 1  1  51 o 14 3.96148e+01 1.13438e+01 1.17625e+01 270.000 -6.57934e-18 -1.07449e-01 0.00000e+00 0.00000e+00 2.29351e+00 90.000  1.40560e+01 90.000  0.1070 
1 1 1 1  1  52 o 17 1.71623e+02 3.37230e+00 2.32894e+02 0.000   1.32097e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.48660e+02 0.000   8.42347e+01 180.000 1.0000 
1 1 1 1  1  53 o 14 3.24411e+02 3.74504e+00 3.28932e+02 90.000  -3.04582e-06 3.48401e+01  0.00000e+00 0.00000e+00 3.89045e+02 90.000  6.01129e+01 90.000  1.0000 
1 1 1 1  1  54 o 8  8.36607e+01 4.90486e+00 1.11340e+02 0.000   3.33489e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.24956e+01 0.000   3.88446e+01 180.000 0.9975 
1 1 1 1  1  55 o 11 6.55812e+01 6.45696e+00 6.15331e+01 90.000  -1.51800e-07 1.73639e+00  0.00000e+00 0.00000e+00 7.36077e+01 90.000  1.20746e+01 90.000  0.9398 
1 1 1 1  1  56 o 4  1.39475e+02 3.76736e+00 1.38993e+02 180.000 -7.35231e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.65365e+02 180.000 2.63721e+01 180.000 1.0000 
1 1 1 1  1  57 o 15 1.94725e+02 4.50058e+00 2.02504e+02 270.000 -1.18016e-15 -1.92734e+01 0.00000e+00 0.00000e+00 2.20352e+02 270.000 1.78475e+01 270.000 1.0000 
1 1 1 1  1  58 o 9  1.00594e+02 5.64432e+00 8.99362e+01 0.000   4.92927e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.27406e+02 0.000   3.74694e+01 0.000   0.9999 
1 1 1 1  1  60 o 10 7.54649e+01 6.16825e+00 5.34447e+01 180.000 -2.60837e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.06227e+02 180.000 5.27827e+01 180.000 0.9892 
1 1 1 1  1  61 o 14 9.55133e+01 5.11645e+00 8.63618e+01 270.000 4.53155e-07  -5.18349e+00 0.00000e+00 0.00000e+00 1.16858e+02 270.000 3.04960e+01 270.000 0.9999 
1 1 1 1  1  62 o 19 9.38873e+01 5.22107e+00 4.33132e+01 0.000   2.80294e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.53947e+02 0.000   1.10633e+02 0.000   0.9927 
1 1 1 1  1  63 f 0  8.89641e+01 5.51310e+00 1.53629e+02 270.000 0.00000e+00  -1.06476e+01 0.00000e+00 0.00000e+00 3.36543e+01 270.000 1.19974e+02 90.000  1.0000 
1 1 1 1  1  64 o 19 1.33706e+02 4.52801e+00 6.27370e+01 0.000   7.40135e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.17197e+02 0.000   1.54460e+02 0.000   1.0000 
1 1 1 1  1  65 o 2  8.30656e+01 5.99121e+00 9.40648e+01 90.000  -5.74849e-07 6.57551e+00  0.00000e+00 0.00000e+00 7.88796e+01 90.000  1.51851e+01 270.000 1.0000 
1 1 1 1  1  66 o 2  5.88455e+01 8.91809e+00 1.45162e+02 180.000 -7.55540e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.33344e+01 0.000   1.68497e+02 0.000   1.0000 
1 1 1 1  1  67 o 1  9.52237e+01 6.14973e+00 8.90893e+01 90.000  -7.78026e-07 8.89958e+00  0.00000e+00 0.00000e+00 1.06924e+02 90.000  1.78352e+01 90.000  1.0000 
1 1 1 1  1  68 o 9  1.68305e+01 1.13039e+01 1.32963e+01 180.000 -2.27365e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.59728e+00 0.000   1.88936e+01 0.000   0.2235 
1 1 1 1  1  69 o 3  6.07941e+01 9.62937e+00 5.41828e+01 90.000  -3.44755e-07 3.94353e+00  0.00000e+00 0.00000e+00 6.94066e+01 90.000  1.52238e+01 90.000  0.9992 
1 1 1 2  0  0  o 3  2.94693e+02 4.52695e+00 6.94815e+02 180.000 -5.73875e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.13196e+02 0.000   1.00801e+03 0.000   0.5182 
1 1 1 2  0  1  o 16 4.10605e+02 3.67550e+00 1.74504e+02 45.000  2.73917e-01  2.73917e-01  0.00000e+00 0.00000e+00 2.04209e+02 45.000  2.97051e+01 45.000  0.3691 
1 1 1 2  0  2  o 1  7.40635e+02 6.40566e+00 2.27793e+02 270.000 -5.04900e-17 -8.24565e-01 0.00000e+00 0.00000e+00 1.02602e+03 270.000 7.98222e+02 270.000 0.6775 
1 1 1 2  0  3  o 11 1.74766e+02 2.10048e+00 2.32875e+02 315.000 1.21453e-01  -1.21453e-01 0.00000e+00 0.00000e+00 1.58619e+02 135.000 3.91495e+02 135.000 0.1701 
1 1 1 2  0  4  o 5  2.67205e+02 2.74652e+00 8.04552e+01 180.000 -7.63156e-02 0.00000e+00  0.00000e+00 0.00000e+00 2.96299e+01 0.000   1.10085e+02 0.000   0.0762 
1 1 1 2  0  5  o 6  5.04553e+02 4.43881e+00 2.53233e+02 45.000  2.67115e-01  2.67115e-01  0.00000e+00 0.00000e+00 2.01145e+02 45.000  5.20877e+01 225.000 0.3608 
1 1 1 2  0  6  o 16 2.64843e+02 2.56279e+00 2.76918e+02 270.000 -1.10673e-17 -1.80742e-01 0.00000e+00 0.00000e+00 1.58765e+02 90.000  4.35683e+02 90.000  0.1788 
1 1 1 2  0  7  o 11 1.34921e+03 1.23660e+01 9.60799e+02 135.000 -2.40796e+01 2.40796e+01  0.00000e+00 0.00000e+00 2.40372e+03 135.000 1.44292e+03 135.000 1.0000 
1 1 1 2  0  8  o 18 1.02543e+02 1.94788e+00 1.66463e+02 180.000 -3.81743e-01 0.00000e+00  0.00000e+00 0.00000e+00 7.33876e+01 0.000   2.39851e+02 0.000   0.3642 
1 1 1 2  0  9  o 17 3.55170e+02 3.49930e+00 6.38408e+02 225.000 -3.07108e+00 -3.07108e+00 0.00000e+00 0.00000e+00 2.45761e+02 225.000 3.92647e+02 45.000  0.9997 
1 1 1 2  0  10 o 4  2.49521e+02 3.51596e+00 2.30721e+02 270.000 0.00000e+00  -9.55569e-01 0.00000e+00 0.00000e+00 2.30142e+02 270.000 5.78999e-01 90.000  0.7423 
1 1 1 2  0  11 o 11 2.67455e+01 9.37269e+00 3.19666e+02 315.000 1.75558e-01  -1.75558e-01 0.00000e+00 0.00000e+00 3.03489e+02 135.000 6.23155e+02 135.000 0.2433 
1 1 1 2  0  12 o 10 3.56319e+01 4.44355e+00 2.32659e+02 180.000 -2.13272e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.14067e+02 0.000   4.46726e+02 0.000   0.2101 
1 1 1 2  0  13 o 9  1.15876e+03 1.06405e+01 1.18067e+03 45.000  2.21508e+01  2.21508e+01  0.00000e+00 0.00000e+00 1.69401e+03 45.000  5.13345e+02 45.000  1.0000 
1 1 1 2  0  14 o 14 6.61101e+02 6.17089e+00 7.38320e+02 270.000 0.00000e+00  -1.33908e+01 0.00000e+00 0.00000e+00 8.99849e+02 270.000 1.61528e+02 270.000 1.0000 
1 1 1 2  0  15 o 7  1.24213e+02 2.65884e+00 3.23302e+02 315.000 7.07086e-01  -7.07086e-01 0.00000e+00 0.00000e+00 8.91859e+01 135.000 4.12488e+02 135.000 0.7616 
1 1 1 2  0  16 o 16 1.88314e+03 1.61571e+01 2.11499e+03 0.000   1.52263e+02  0.00000e+00  0.00000e+00 0.00000e+00 2.53926e+03 0.000   4.24277e+02 0.000   1.0000 
1 1 1 2  0  17 o 6  2.54175e+02 3.88510e+00 2.96150e+02 45.000  1.89329e+00  1.89329e+00  0.00000e+00 0.00000e+00 3.25260e+02 45.000  2.91106e+01 45.000  0.9906 
1 1 1 2  0  18 o 18 3.86206e+02 4.08267e+00 5.30544e+02 90.000  6.26592e-16  1.02330e+01  0.00000e+00 0.00000e+00 4.21181e+02 90.000  1.09362e+02 270.000 1.0000 
1 1 1 2  0  19 o 17 8.96241e+01 2.27549e+00 3.02242e+02 315.000 8.92860e-01  -8.92860e-01 0.00000e+00 0.00000e+00 1.14412e+02 135.000 4.16655e+02 135.000 0.8518 
1 1 1 2  0  20 o 14 5.13659e+01 6.79427e+00 1.09732e+02 0.000   3.28039e-01  0.00000e+00  0.00000e+00 0.00000e+00 6.97678e+01 180.000 1.79500e+02 180.000 0.3168 
1 1 1 2  0  21 o 7  6.04201e+02 6.17651e+00 8.80184e+02 45.000  2.06392e+01  2.06392e+01  0.00000e+00 0.00000e+00 6.01252e+02 45.000  2.78932e+02 225.000 1.0000 
1 1 1 2  0  22 o 4  5.92915e+01 4.58257e+00 9.75636e+01 270.000 -2.49957e-17 -4.08211e-01 0.00000e+00 0.00000e+00 4.14142e+01 90.000  1.38978e+02 90.000  0.3870 
1 1 1 2  0  23 o 12 4.22488e+02 5.53851e+00 5.57962e+02 135.000 -1.25275e+01 1.25275e+01  0.00000e+00 0.00000e+00 4.74007e+02 135.000 8.39556e+01 315.000 1.0000 
1 1 1 2  0  24 o 1  2.51217e+02 2.94510e+00 7.30875e+01 180.000 -1.32121e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.57899e+02 180.000 3.84811e+02 180.000 0.8671 
1 1 1 2  0  25 o 1  2.68705e+02 3.36014e+00 3.46301e+02 225.000 -5.22356e+00 -5.22356e+00 0.00000e+00 0.00000e+00 3.07325e+02 225.000 3.89759e+01 45.000  1.0000 
1 1 1 2  0  26 o 7  1.74916e+02 3.13194e+00 2.13885e+02 270.000 0.00000e+00  -3.60780e+00 0.00000e+00 0.00000e+00 2.10039e+02 270.000 3.84602e+00 90.000  0.9985 
1 1 1 2  0  27 o 19 3.42664e+02 3.33204e+00 4.81104e+02 315.000 9.55457e+00  -9.55457e+00 0.00000e+00 0.00000e+00 3.48697e+02 315.000 1.32407e+02 135.000 1.0000 
1 1 1 2  0  28 o 16 4.15829e+02 4.49876e+00 4.66849e+02 0.000   1.50053e+01  0.00000e+00  0.00000e+00 0.00000e+00 5.37743e+02 0.000   7.08945e+01 0.000   1.0000 
1 1 1 2  0  29 o 11 1.53871e+02 3.16941e+00 3.47958e+02 45.000  2.82484e+00  2.82484e+00  0.00000e+00 0.00000e+00 2.26110e+01 45.000  3.25347e+02 225.000 0.9993 
1 1 1 2  0  30 o 14 1.77306e+02 2.89603e+00 7.78307e+01 270.000 0.00000e+00  -1.18767e+00 0.00000e+00 0.00000e+00 2.75864e+02 270.000 1.98033e+02 270.000 0.8299 
1 1 1 2  0  31 o 7  6.61548e+02 6.76448e+00 8.40837e+02 135.000 -3.19498e+01 3.19498e+01  0.00000e+00 0.00000e+00 7.45227e+02 135.000 9.56100e+01 315.000 1.0000 
1 1 1 2  0  32 o 1  9.27127e+01 4.68274e+00 1.43802e+02 0.000   8.95713e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.45197e+01 0.000   1.29282e+02 180.000 0.7142 
1 1 1 2  0  33 o 4  2.11659e+02 3.63251e+00 5.73177e+02 45.000  6.78698e+00  6.78698e+00  0.00000e+00 0.00000e+00 6.85185e+01 225.000 6.41696e+02 225.000 1.0000 
1 1 1 2  0  34 o 11 5.00817e+02 5.31770e+00 5.35864e+02 90.000  -1.51314e-06 1.73083e+01  0.00000e+00 0.00000e+00 6.54788e+02 90.000  1.18924e+02 90.000  1.0000 
1 1 1 2  0  35 o 10 3.36111e+02 4.41180e+00 4.09351e+02 135.000 -7.98278e+00 7.98278e+00  0.00000e+00 0.00000e+00 3.87353e+02 135.000 2.19986e+01 315.000 1.0000 
1 1 1 2  0  36 o 13 4.51360e+02 4.55649e+00 7.22952e+02 0.000   2.46600e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.43659e+02 0.000   3.79293e+02 180.000 1.0000 
1 1 1 2  0  37 o 2  2.06983e+02 3.19056e+00 7.09814e+01 225.000 -9.35219e-01 -9.35219e-01 0.00000e+00 0.00000e+00 3.51964e+02 225.000 2.80983e+02 225.000 0.8674 
1 1 1 2  0  38 o 8  2.94717e+02 3.51666e+00 1.35027e+02 270.000 -2.39921e-16 -3.91820e+00 0.00000e+00 0.00000e+00 5.56443e+02 270.000 4.21416e+02 270.000 0.9992 
1 1 1 2  0  39 o 3  5.62852e+01 7.31016e+00 4.13460e+00 135.000 -1.66896e-02 1.66896e-02  0.00000e+00 0.00000e+00 1.02616e+00 315.000 5.16077e+00 315.000 0.0236 
1 1 1 2  0  40 o 17 1.91776e+02 3.35392e+00 2.07130e+02 180.000 -4.32965e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.39997e+02 180.000 3.28675e+01 180.000 0.9997 
1 1 1 2  0  41 o 2  4.43264e+02 4.96647e+00 3.42074e+02 225.000 -1.20209e+01 -1.20209e+01 0.00000e+00 0.00000e+00 6.88154e+02 225.000 3.46081e+02 225.000 1.0000 
1 1 1 2  0  42 o 8  2.04417e+02 3.75758e+00 5.78430e+01 270.000 0.00000e+00  -1.46110e+00 0.00000e+00 0.00000e+00 3.67212e+02 270.000 3.09369e+02 270.000 0.8979 
1 1 1 2  0  44 o 1  1.03203e+02 5.71736e+00 1.96112e+02 180.000 -3.41197e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.06119e+01 180.000 1.55500e+02 0.000   0.9978 
1 1 1 2  0  45 o 18 2.10208e+02 4.15433e+00 1.76827e+02 45.000  4.10537e+00  4.10537e+00  0.00000e+00 0.00000e+00 3.04531e+02 45.000  1.27704e+02 45.000  1.0000 
1 1 1 2  0  47 o 7  2.55928e+02 4.28476e+00 1.19580e+02 315.000 4.65678e+00  -4.65678e+00 0.00000e+00 0.00000e+00 4.61848e+02 315.000 3.42269e+02 315.000 1.0000 
1 1 1 2  0  48 o 19 1.88146e+02 3.85477e+00 8.65003e+01 0.000   3.39287e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.38231e+02 0.000   2.51730e+02 0.000   0.9977 
1 1 1 2  0  49 o 7  4.38050e+02 4.94934e+00 5.08732e+02 225.000 -3.65380e+01 -3.65380e+01 0.00000e+00 0.00000e+00 4.78241e+02 225.000 3.04909e+01 45.000  1.0000 
1 1 1 2  0  50 o 10 1.87554e+02 3.70269e+00 1.75446e+02 90.000  -7.52269e-07 8.60495e+00  0.00000e+00 0.00000e+00 2.45332e+02 90.000  6.98858e+01 90.000  1.0000 
1 1 1 2  0  51 o 19 2.40386e+02 3.67973e+00 2.37882e+02 315.000 1.30646e+01  -1.30646e+01 0.00000e+00 0.00000e+00 2.99082e+02 315.000 6.11999e+01 315.000 1.0000 
1 1 1 2  0  52 o 15 1.59186e+02 3.86226e+00 2.48898e+02 180.000 -1.30330e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.05107e+02 180.000 1.43792e+02 0.000   1.0000 
1 1 1 2  0  53 o 17 1.14912e+02 5.78600e+00 5.76015e+01 225.000 -1.55303e+00 -1.55303e+00 0.00000e+00 0.00000e+00 1.90575e+02 225.000 1.32973e+02 225.000 0.9756 
1 1 1 2  0  54 o 7  1.28650e+02 4.62786e+00 1.62391e+02 270.000 6.52487e-07  -7.46358e+00 0.00000e+00 0.00000e+00 1.21103e+02 270.000 4.12882e+01 90.000  1.0000 
1 1 1 2  0  55 o 12 9.16275e+01 5.46512e+00 1.11709e+02 135.000 -3.12262e+00 3.12262e+00  0.00000e+00 0.00000e+00 8.91963e+01 135.000 2.25123e+01 315.000 0.9997 
1 1 1 2  0  56 o 19 1.92905e+02 4.53334e+00 2.63168e+02 0.000   2.43097e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.57903e+02 0.000   1.05265e+02 180.000 1.0000 
1 1 1 2  0  57 o 9  1.55938e+01 1.07221e+01 6.76791e+00 225.000 -3.46337e-02 -3.46337e-02 0.00000e+00 0.00000e+00 5.11019e+00 45.000  1.18781e+01 45.000  0.0489 
1 1 1 2  0  58 o 5  2.15850e+02 4.39883e+00 2.49488e+02 90.000  0.00000e+00  2.94794e+01  0.00000e+00 0.00000e+00 2.17057e+02 90.000  3.24312e+01 270.000 1.0000 
1 1 1 2  0  60 o 7  1.54991e+02 4.59970e+00 1.26326e+02 180.000 -1.27791e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.05283e+02 180.000 7.89571e+01 180.000 1.0000 
1 1 1 2  0  61 o 14 7.16860e+01 7.95884e+00 9.78214e+01 45.000  3.03294e+00  3.03294e+00  0.00000e+00 0.00000e+00 5.46974e+01 45.000  4.31240e+01 225.000 0.9996 
1 1 1 2  0  62 o 5  9.22022e+01 6.31696e+00 1.13206e+02 270.000 6.21682e-07  -7.11121e+00 0.00000e+00 0.00000e+00 8.19978e+01 270.000 3.12085e+01 90.000  1.0000 
1 1 1 2  0  63 o 14 9.51082e+01 6.19205e+00 8.00705e+01 315.000 4.15803e+00  -4.15803e+00 0.00000e+00 0.00000e+00 1.20200e+02 315.000 4.01300e+01 315.000 1.0000 
1 1 1 2  0  64 o 1  7.71030e+01 7.63555e+00 2.77965e+01 0.000   1.82316e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.25466e+02 0.000   9.76691e+01 0.000   0.9492 
1 1 1 2  0  65 o 11 5.58842e+01 1.15197e+01 5.45102e+01 225.000 -1.68729e+00 -1.68729e+00 0.00000e+00 0.00000e+00 5.99227e+01 225.000 5.41245e+00 225.000 0.9832 
1 1 1 2  0  66 o 2  4.90699e+01 1.35181e+01 6.33523e+01 270.000 2.38751e-07  -2.73099e+00 0.00000e+00 0.00000e+00 3.74068e+01 270.000 2.59455e+01 90.000  0.9915 
1 1 1 2  0  67 f 0  2.23835e+01 1.41168e+01 3.19170e+01 315.000 4.86349e-01  -4.86349e-01 0.00000e+00 0.00000e+00 4.42205e+00 135.000 3.63391e+01 135.000 0.5966 
1 1 1 2  0  68 o 14 3.76134e+01 1.67537e+01 5.54999e+01 0.000   1.99088e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.86780e+01 0.000   3.68219e+01 180.000 0.9634 
1 1 1 2  0  69 o 12 1.93270e+01 1.29319e+01 2.20176e+01 225.000 -3.25246e-01 -3.25246e-01 0.00000e+00 0.00000e+00 5.10309e+00 45.000  2.71207e+01 45.000  0.4301 
1 1 1 2  1  0  o 15 2.06022e+02 2.85323e+00 2.53342e+02 0.000   2.35849e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.34102e+02 180.000 3.87443e+02 180.000 0.2316 
1 1 1 2  1  1  o 19 2.77661e+01 2.81559e+00 9.09663e+01 149.610 -1.91303e-02 1.12192e-02  0.00000e+00 0.00000e+00 9.01968e+01 329.610 1.81163e+02 329.610 0.0111 
1 1 1 2  1  2  o 2  4.76698e+02 2.98766e+00 1.13627e+02 9.723   4.32125e-01  7.40424e-02  0.00000e+00 0.00000e+00 1.41422e+02 9.723   2.77947e+01 9.723   0.2141 
1 1 1 2  1  3  o 15 4.93665e+02 3.08703e+00 2.97784e+02 175.622 -1.05072e+00 8.04366e-02  0.00000e+00 0.00000e+00 2.75883e+02 175.622 2.19002e+01 355.622 0.4651 
1 1 1 2  1  4  o 12 2.75513e+02 1.94642e+00 1.56712e+02 202.555 -2.46848e-01 -1.02524e-01 0.00000e+00 0.00000e+00 6.55586e+01 22.555  2.22271e+02 22.555  0.1325 
1 1 1 2  1  5  o 16 1.16344e+02 1.35300e+00 4.62430e+01 174.798 -2.82944e-02 2.57600e-03  0.00000e+00 0.00000e+00 4.21171e+01 354.798 8.83601e+01 354.798 0.0142 
1 1 1 2  1  6  o 13 3.46332e+02 2.33058e+00 3.98597e+02 230.547 -5.02893e+00 -6.11076e+00 0.00000e+00 0.00000e+00 4.09053e+02 230.547 1.04560e+01 230.547 0.9345 
1 1 1 2  1  7  o 10 3.16222e+02 2.10406e+00 2.22782e+02 313.935 2.39020e+00  -2.48077e+00 0.00000e+00 0.00000e+00 4.38265e+02 313.935 2.15484e+02 313.935 0.8382 
1 1 1 2  1  8  o 8  2.22483e+02 1.68909e+00 8.48940e+01 69.409  2.78926e-01  7.42412e-01  0.00000e+00 0.00000e+00 1.19346e+02 69.409  3.44517e+01 69.409  0.3683 
1 1 1 2  1  9  o 10 4.40190e+02 2.78678e+00 6.17252e+02 128.099 -6.09471e+00 7.77325e+00  0.00000e+00 0.00000e+00 4.22021e+02 128.099 1.95231e+02 308.099 0.9479 
1 1 1 2  1  10 o 2  2.54926e+02 2.33642e+00 4.62752e+02 42.209  2.77702e+00  2.51884e+00  0.00000e+00 0.00000e+00 7.84796e+01 42.209  3.84273e+02 222.209 0.8531 
1 1 1 2  1  11 o 11 4.34713e+02 2.87014e+00 5.27928e+02 208.297 -1.13371e+01 -6.10359e+00 0.00000e+00 0.00000e+00 5.10051e+02 208.297 1.78769e+01 28.297  0.9603 
1 1 1 2  1  12 o 6  4.95668e+02 3.11648e+00 6.20665e+02 182.127 -1.53289e+01 -5.69453e-01 0.00000e+00 0.00000e+00 5.69673e+02 182.127 5.09923e+01 2.128   0.9668 
1 1 1 2  1  13 o 9  3.59203e+02 2.45059e+00 3.43700e+02 309.655 4.68322e+00  -5.65004e+00 0.00000e+00 0.00000e+00 4.84387e+02 309.655 1.40686e+02 309.655 0.9291 
1 1 1 2  1  14 o 6  8.33649e+02 5.45213e+00 9.94379e+02 109.032 -1.44826e+01 4.19844e+01  0.00000e+00 0.00000e+00 1.04825e+03 109.032 5.38753e+01 109.032 0.9887 
1 1 1 2  1  15 o 6  3.46791e+02 2.46588e+00 5.66785e+02 118.451 -4.57083e+00 8.43566e+00  0.00000e+00 0.00000e+00 2.45544e+02 118.451 3.21241e+02 298.451 0.9464 
1 1 1 2  1  16 o 1  4.01380e+02 2.83303e+00 4.54250e+02 185.072 -1.38081e+01 -1.22557e+00 0.00000e+00 0.00000e+00 5.01432e+02 185.072 4.71817e+01 185.072 0.9632 
1 1 1 2  1  17 f 0  9.48441e+02 6.61125e+00 1.29724e+03 295.247 3.66633e+01  -7.77478e+01 0.00000e+00 0.00000e+00 1.03021e+03 295.247 2.67026e+02 115.247 0.9942 
1 1 1 2  1  18 f 0  8.41602e+02 6.26744e+00 9.11157e+02 18.372  7.15043e+01  2.37468e+01  0.00000e+00 0.00000e+00 1.14928e+03 18.372  2.38126e+02 18.372  0.9933 
1 1 1 2  1  19 o 4  6.56316e+02 4.53991e+00 7.78440e+02 38.398  3.68444e+01  2.92003e+01  0.00000e+00 0.00000e+00 8.19298e+02 38.398  4.08587e+01 38.398  0.9893 
1 1 1 2  1  20 o 11 1.69126e+02 2.24676e+00 1.99236e+02 300.743 1.99084e+00  -3.34721e+00 0.00000e+00 0.00000e+00 1.57797e+02 300.743 4.14386e+01 120.743 0.8593 
1 1 1 2  1  21 o 13 5.18626e+02 3.52945e+00 6.26843e+02 65.712  1.97066e+01  4.36688e+01  0.00000e+00 0.00000e+00 6.31608e+02 65.712  4.76554e+00 65.712  0.9895 
1 1 1 2  1  22 o 10 4.30761e+02 3.13020e+00 5.46142e+02 279.547 5.46972e+00  -3.25229e+01 0.00000e+00 0.00000e+00 4.92120e+02 279.547 5.40224e+01 99.547  0.9847 
1 1 1 2  1  23 o 18 1.76025e+02 2.05089e+00 5.66584e+01 59.255  7.63108e-01  1.28290e+00  0.00000e+00 0.00000e+00 1.98913e+02 59.255  1.42254e+02 59.255  0.5943 
1 1 1 2  1  24 f 0  2.82983e+02 2.25308e+00 3.15462e+02 78.419  2.95100e+00  1.44009e+01  0.00000e+00 0.00000e+00 3.50555e+02 78.419  3.50927e+01 78.419  0.9654 
1 1 1 2  1  25 o 14 3.90244e+02 2.91877e+00 4.61644e+02 181.512 -2.84409e+01 -7.50894e-01 0.00000e+00 0.00000e+00 4.70926e+02 181.512 9.28183e+00 181.512 0.9823 
1 1 1 2  1  26 o 4  3.33046e+02 2.51658e+00 4.25394e+02 133.696 -1.87819e+01 1.96570e+01  0.00000e+00 0.00000e+00 3.68068e+02 133.696 5.73259e+01 313.696 0.9814 
1 1 1 2  1  27 o 6  3.77805e+02 2.76917e+00 4.24052e+02 9.847   2.57639e+01  4.47180e+00  0.00000e+00 0.00000e+00 4.73308e+02 9.847   4.92557e+01 9.847   0.9807 
1 1 1 2  1  28 o 19 1.29995e+02 2.10021e+00 1.67098e+02 46.257  2.31515e+00  2.41901e+00  0.00000e+00 0.00000e+00 9.44736e+01 46.257  7.26241e+01 226.257 0.8328 
1 1 1 2  1  29 o 8  3.22809e+02 2.56829e+00 4.16546e+02 21.653  1.85788e+01  7.37578e+00  0.00000e+00 0.00000e+00 3.41798e+02 21.653  7.47476e+01 201.653 0.9747 
1 1 1 2  1  30 o 14 1.39216e+02 2.06001e+00 2.16107e+02 272.030 1.82741e-01  -5.15629e+00 0.00000e+00 0.00000e+00 8.41037e+01 272.030 1.32003e+02 92.030  0.8970 
1 1 1 2  1  31 o 6  9.01061e+01 2.53979e+00 7.80779e+01 127.673 -6.98025e-01 9.04003e-01  0.00000e+00 0.00000e+00 2.87614e+01 127.673 4.93166e+01 307.673 0.4945 
1 1 1 2  1  32 o 18 1.23812e+02 2.22826e+00 7.87335e+01 72.024  4.03135e-01  1.24248e+00  0.00000e+00 0.00000e+00 8.24689e+01 72.024  3.73543e+00 72.024  0.5445 
1 1 1 2  1  33 o 7  2.01362e+02 2.20894e+00 1.60208e+02 23.253  4.67529e+00  2.00896e+00  0.00000e+00 0.00000e+00 2.69742e+02 23.253  1.09534e+02 23.253  0.8954 
1 1 1 2  1  34 o 10 1.43036e+02 2.27663e+00 2.22937e+02 332.194 3.63016e+00  -1.91448e+00 0.00000e+00 0.00000e+00 7.20715e+01 332.194 1.50866e+02 152.194 0.8674 
1 1 1 2  1  35 o 19 5.05322e+02 3.66395e+00 6.44254e+02 13.408  5.17412e+01  1.23344e+01  0.00000e+00 0.00000e+00 5.42395e+02 13.408  1.01859e+02 193.408 0.9906 
1 1 1 2  1  36 f 0  1.56708e+02 2.19253e+00 3.31089e+02 124.467 -4.42682e+00 6.44894e+00  0.00000e+00 0.00000e+00 1.47255e+01 124.467 3.16364e+02 304.467 0.9337 
1 1 1 2  1  37 o 2  2.41145e+02 2.23813e+00 3.92242e+02 199.039 -1.60441e+01 -5.53676e+00 0.00000e+00 0.00000e+00 1.58900e+02 199.039 2.33342e+02 19.039  0.9701 
1 1 1 2  1  38 o 13 2.47423e+02 2.17278e+00 1.64512e+02 113.833 -3.23060e+00 7.31331e+00  0.00000e+00 0.00000e+00 3.78882e+02 113.833 2.14371e+02 113.833 0.9352 
1 1 1 2  1  39 o 10 5.20393e+02 3.41954e+00 3.96204e+02 245.255 -1.75177e+01 -3.80067e+01 0.00000e+00 0.00000e+00 8.07194e+02 245.255 4.10990e+02 245.255 0.9880 
1 1 1 2  1  40 o 13 2.75836e+02 2.73908e+00 1.46701e+02 224.878 -6.23059e+00 -6.20414e+00 0.00000e+00 0.00000e+00 4.58954e+02 224.878 3.12253e+02 224.878 0.9413 
1 1 1 2  1  41 o 3  4.29567e+02 3.03814e+00 5.01138e+02 78.886  9.28548e+00  4.72694e+01  0.00000e+00 0.00000e+00 4.86978e+02 78.886  1.41604e+01 258.886 0.9896 
1 1 1 2  1  42 o 10 1.93932e+02 2.36793e+00 1.57646e+02 259.806 -1.33415e+00 -7.41962e+00 0.00000e+00 0.00000e+00 2.60590e+02 259.806 1.02944e+02 259.806 0.9311 
1 1 1 2  1  43 o 9  2.15012e+02 5.00633e+00 1.81261e+02 292.485 3.73714e+00  -9.02872e+00 0.00000e+00 0.00000e+00 2.88810e+02 292.485 1.07549e+02 292.485 0.9474 
1 1 1 2  1  44 o 2  5.59025e+02 3.92336e+00 6.18570e+02 307.073 7.01439e+01  -9.28372e+01 0.00000e+00 0.00000e+00 6.61142e+02 307.073 4.25720e+01 307.073 0.9957 
1 1 1 2  1  45 o 10 4.35205e+02 3.31321e+00 3.91746e+02 327.176 4.46135e+01  -2.87777e+01 0.00000e+00 0.00000e+00 5.95562e+02 327.176 2.03816e+02 327.176 0.9905 
1 1 1 2  1  46 o 11 1.80420e+02 4.99847e+00 1.87499e+02 119.843 -5.84942e+00 1.01959e+01  0.00000e+00 0.00000e+00 2.06177e+02 119.843 1.86780e+01 119.843 0.9565 
1 1 1 2  1  47 o 3  2.54868e+02 2.48717e+00 1.72818e+02 114.032 -7.71630e+00 1.73048e+01  0.00000e+00 0.00000e+00 3.90790e+02 114.032 2.17972e+02 114.032 0.9732 
1 1 1 2  1  48 o 4  5.25486e+01 6.18600e+00 9.24689e+01 195.135 -1.92381e+00 -5.20341e-01 0.00000e+00 0.00000e+00 9.63410e+00 15.135  1.02103e+02 15.135  0.6966 
1 1 1 2  1  49 o 1  2.41125e+02 2.96087e+00 2.61339e+02 210.206 -2.52533e+01 -1.47013e+01 0.00000e+00 0.00000e+00 2.72639e+02 210.206 1.13008e+01 210.206 0.9827 
1 1 1 2  1  50 f 0  2.34576e+02 2.98568e+00 1.78901e+02 232.017 -1.34669e+01 -1.72476e+01 0.00000e+00 0.00000e+00 3.35277e+02 232.017 1.56376e+02 232.017 0.9769 
1 1 1 2  1  51 o 4  1.17817e+02 3.01658e+00 1.61032e+02 116.564 -5.46415e+00 1.09288e+01  0.00000e+00 0.00000e+00 9.11666e+01 116.564 6.98657e+01 296.564 0.9582 
1 1 1 2  1  52 o 14 1.05129e+02 4.23614e+00 1.03334e+02 130.826 -4.62898e+00 5.35773e+00  0.00000e+00 0.00000e+00 1.13285e+02 130.826 9.95090e+00 130.826 0.9264 
1 1 1 2  1  53 o 5  1.41776e+02 2.73279e+00 1.49927e+02 287.585 4.28415e+00  -1.35176e+01 0.00000e+00 0.00000e+00 1.52703e+02 287.585 2.77568e+00 287.585 0.9641 
1 1 1 2  1  54 o 14 3.47999e+02 3.11706e+00 2.98094e+02 67.230  2.86633e+01  6.82879e+01  0.00000e+00 0.00000e+00 4.63671e+02 67.230  1.65577e+02 67.230  0.9932 
1 1 1 2  1  55 o 6  1.14814e+02 3.12350e+00 1.44721e+02 70.922  4.70255e+00  1.35969e+01  0.00000e+00 0.00000e+00 9.82155e+01 70.922  4.65055e+01 250.922 0.9646 
1 1 1 2  1  56 o 3  1.04671e+02 3.77961e+00 4.72549e+01 310.861 3.08182e+00  -3.56260e+00 0.00000e+00 0.00000e+00 1.55251e+02 310.861 1.07996e+02 310.861 0.8862 
1 1 1 2  1  57 o 17 1.20835e+02 3.40812e+00 1.11670e+02 104.675 -3.32194e+00 1.26853e+01  0.00000e+00 0.00000e+00 1.40626e+02 104.675 2.89562e+01 104.675 0.9611 
1 1 1 2  1  58 o 7  8.12933e+01 4.82742e+00 9.46744e+01 212.082 -7.01687e+00 -4.39853e+00 0.00000e+00 0.00000e+00 7.00812e+01 212.082 2.45933e+01 32.082  0.9375 
1 1 1 2  1  60 o 6  1.53017e+02 3.01006e+00 1.52279e+02 57.914  1.67296e+01  2.66841e+01  0.00000e+00 0.00000e+00 1.69913e+02 57.914  1.76342e+01 57.914  0.9840 
1 1 1 2  1  61 o 2  9.37627e+01 4.01812e+00 5.37070e+01 124.392 -3.54700e+00 5.18182e+00  0.00000e+00 0.00000e+00 1.29219e+02 124.392 7.55117e+01 124.392 0.9165 
1 1 1 2  1  62 o 6  1.09863e+02 3.46415e+00 1.07665e+02 314.132 1.13387e+01  -1.16877e+01 0.00000e+00 0.00000e+00 1.17702e+02 314.132 1.00364e+01 314.132 0.9688 
1 1 1 2  1  63 o 18 4.51110e+01 7.36394e+00 7.94673e+01 124.809 -2.98650e+00 4.29557e+00  0.00000e+00 0.00000e+00 5.89487e+00 124.809 7.35724e+01 304.809 0.8985 
1 1 1 2  1  64 o 3  1.11088e+02 3.51316e+00 1.43578e+02 211.235 -2.38916e+01 -1.44894e+01 0.00000e+00 0.00000e+00 8.48980e+01 211.235 5.86804e+01 31.235  0.9819 
1 1 1 2  1  65 o 15 5.15874e+01 7.00467e+00 3.81597e+01 281.488 6.31360e-01  -3.10660e+00 0.00000e+00 0.00000e+00 5.01462e+01 281.488 1.19865e+01 281.488 0.8218 
1 1 1 2  1  66 o 18 4.92542e+01 7.38877e+00 5.98545e+01 3.175   5.53710e+00  3.07146e-01  0.00000e+00 0.00000e+00 3.24345e+01 3.175   2.74200e+01 183.175 0.9047 
1 1 1 2  1  67 o 12 1.47044e+02 3.55477e+00 1.56836e+02 206.691 -4.78928e+01 -2.40778e+01 0.00000e+00 0.00000e+00 1.43139e+02 206.691 1.36975e+01 26.691  0.9906 
1 1 1 2  1  68 o 3  7.64422e+01 5.10944e+00 9.95865e+01 186.994 -1.85310e+01 -2.27340e+00 0.00000e+00 0.00000e+00 5.26685e+01 186.994 4.69181e+01 6.994   0.9728 
1 1 1 2  1  69 o 17 3.98905e+01 8.36301e+00 4.05744e+01 103.323 -8.30597e-01 3.50741e+00  0.00000e+00 0.00000e+00 2.81427e+01 103.323 1.24317e+01 283.323 0.8464 
1 1 1 2  2  0  o 9  6.81079e+02 8.40113e+00 4.06153e+02 0.000   3.99586e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.40287e+02 0.000   1.65866e+02 180.000 0.3796 
1 1 1 2  2  1  o 6  3.23444e+02 3.07871e+00 4.17835e+02 270.000 -2.34905e-17 -3.83629e-01 0.00000e+00 0.00000e+00 1.21966e+02 90.000  5.39801e+02 90.000  0.3659 
1 1 1 2  2  2  o 19 2.22468e+02 2.37859e+00 6.97001e+01 180.000 -4.18248e-02 0.00000e+00  0.00000e+00 0.00000e+00 4.64522e+01 0.000   1.16152e+02 0.000   0.0418 
1 1 1 2  2  3  o 14 3.09781e+02 2.97301e+00 1.25474e+02 270.000 -5.93186e-18 -9.68746e-02 0.00000e+00 0.00000e+00 5.07003e+01 90.000  1.76174e+02 90.000  0.0966 
1 1 1 2  2  4  o 13 5.83879e+02 5.14377e+00 1.58905e+02 180.000 -2.66952e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.28608e+03 180.000 1.12718e+03 180.000 0.9904 
1 1 1 2  2  5  o 5  2.16405e+02 2.56741e+00 2.89892e+01 90.000  9.87228e-18  1.61227e-01  0.00000e+00 0.00000e+00 5.74092e+01 90.000  2.84200e+01 90.000  0.1598 
1 1 1 2  2  6  o 18 5.26510e+02 5.40223e+00 4.84346e+02 0.000   5.80394e+00  0.00000e+00  0.00000e+00 0.00000e+00 8.30075e+02 0.000   3.45729e+02 0.000   1.0000 
1 1 1 2  2  7  o 13 1.56539e+02 2.10039e+00 9.74250e+01 270.000 2.68461e-08  -3.07084e-01 0.00000e+00 0.00000e+00 1.88839e+01 270.000 7.85411e+01 90.000  0.2978 
1 1 1 2  2  8  o 4  4.13964e+02 3.77531e+00 4.48171e+02 0.000   3.30600e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.81282e+02 0.000   1.33111e+02 0.000   0.9973 
1 1 1 2  2  9  o 12 6.38223e+01 3.42266e+00 1.39255e+02 270.000 1.23006e-08  -1.40702e-01 0.00000e+00 0.00000e+00 1.17026e+02 90.000  2.56281e+02 90.000  0.1398 
1 1 1 2  2  10 o 9  5.91447e+02 5.21143e+00 4.59984e+02 180.000 -7.69111e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.01250e+03 180.000 5.52520e+02 180.000 1.0000 
1 1 1 2  2  11 o 3  2.69110e+02 2.73667e+00 2.49434e+02 90.000  -1.48817e-07 1.70227e+00  0.00000e+00 0.00000e+00 3.76901e+02 90.000  1.27468e+02 90.000  0.9357 
1 1 1 2  2  12 o 19 7.10049e+02 6.19609e+00 8.87400e+02 180.000 -1.44005e+01 0.00000e+00  0.00000e+00 0.00000e+00 8.77015e+02 180.000 1.03844e+01 0.000   1.0000 
1 1 1 2  2  13 f 0  2.30010e+01 9.89159e+00 6.55600e+01 270.000 3.62376e-09  -4.14510e-02 0.00000e+00 0.00000e+00 6.31947e+01 90.000  1.28755e+02 90.000  0.0414 
1 1 1 2  2  14 o 7  8.86693e+02 7.67105e+00 1.01598e+03 180.000 -2.26213e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.18245e+03 180.000 1.66469e+02 180.000 1.0000 
1 1 1 2  2  15 o 17 8.89183e+02 7.69892e+00 9.25992e+02 270.000 -1.97429e-15 -3.22427e+01 0.00000e+00 0.00000e+00 1.27585e+03 270.000 3.49856e+02 270.000 1.0000 
1 1 1 2  2  16 o 15 1.67502e+02 2.69912e+00 5.18149e+01 0.000   3.14316e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.42569e+01 0.000   2.24419e+01 0.000   0.3044 
1 1 1 2  2  17 o 5  1.30665e+02 2.50339e+00 2.55635e+02 90.000  -1.48793e-07 1.70199e+00  0.00000e+00 0.00000e+00 4.62718e+01 90.000  2.09363e+02 270.000 0.9357 
1 1 1 2  2  18 o 14 5.68719e+01 4.63670e+00 2.95408e+02 180.000 -7.98796e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.02385e+02 0.000   4.97793e+02 0.000   0.6634 
1 1 1 2  2  19 o 9  7.06352e+02 6.19225e+00 6.06795e+02 90.000  -2.22962e-06 2.55038e+01  0.00000e+00 0.00000e+00 1.13208e+03 90.000  5.25284e+02 90.000  1.0000 
1 1 1 2  2  20 o 10 1.08455e+02 3.06842e+00 9.01387e+01 0.000   5.49544e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.31796e+01 0.000   4.69591e+01 180.000 0.5002 
1 1 1 2  2  21 o 18 2.83890e+02 2.97449e+00 1.61621e+02 270.000 -2.02643e-16 -3.30941e+00 0.00000e+00 0.00000e+00 5.32986e+02 270.000 3.71364e+02 270.000 0.9973 
1 1 1 2  2  22 o 19 3.76836e+01 8.69448e+00 4.27320e+01 180.000 -1.10145e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.26090e+01 0.000   7.53411e+01 0.000   0.1097 
1 1 1 2  2  23 o 3  5.20082e+02 4.69844e+00 7.11344e+02 90.000  -2.37378e-06 2.71528e+01  0.00000e+00 0.00000e+00 5.59731e+02 90.000  1.51613e+02 270.000 1.0000 
1 1 1 2  2  24 o 15 1.72109e+02 2.55975e+00 2.79691e+02 180.000 -3.90206e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.39746e+02 180.000 1.39945e+02 0.000   0.9992 
1 1 1 2  2  25 o 17 3.87815e+02 3.93864e+00 4.91783e+02 270.000 1.64176e-06  -1.87796e+01 0.00000e+00 0.00000e+00 4.52116e+02 270.000 3.96668e+01 90.000  1.0000 
1 1 1 2  2  26 o 9  2.53115e+02 3.60343e+00 3.35501e+02 0.000   8.03686e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.79200e+02 0.000   5.63012e+01 180.000 1.0000 
1 1 1 2  2  27 o 1  1.84242e+02 3.37933e+00 5.13120e+02 90.000  0.00000e+00  7.63092e+00  0.00000e+00 0.00000e+00 6.67015e+01 270.000 5.79821e+02 270.000 1.0000 
1 1 1 2  2  28 o 14 2.92937e+02 3.61638e+00 2.96892e+02 180.000 -6.62362e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.11209e+02 180.000 1.14316e+02 180.000 1.0000 
1 1 1 2  2  29 o 15 5.09579e+02 4.96910e+00 5.75616e+02 90.000  0.00000e+00  2.57743e+01  0.00000e+00 0.00000e+00 6.53142e+02 90.000  7.75260e+01 90.000  1.0000 
1 1 1 2  2  30 o 14 2.80711e+02 3.83189e+00 5.78610e+02 0.000   1.35683e+01  0.00000e+00  0.00000e+00 0.00000e+00 9.65531e+01 0.000   4.82057e+02 180.000 1.0000 
1 1 1 2  2  31 o 15 1.21633e+01 8.30226e+00 1.52507e+02 90.000  0.00000e+00  1.27304e-01  0.00000e+00 0.00000e+00 1.48812e+02 270.000 3.01319e+02 270.000 0.1266 
1 1 1 2  2  32 o 8  4.38390e+02 4.38787e+00 6.84851e+02 0.000   2.43365e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.63935e+02 0.000   3.20916e+02 180.000 1.0000 
1 1 1 2  2  33 o 16 6.72711e+01 5.73800e+00 7.59048e+01 90.000  2.43566e-17  3.97773e-01  0.00000e+00 0.00000e+00 1.52343e+01 270.000 9.11391e+01 270.000 0.3780 
1 1 1 2  2  34 o 7  2.27999e+02 3.63281e+00 1.40211e+02 180.000 -2.03493e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.83931e+02 180.000 2.43720e+02 180.000 0.9664 
1 1 1 2  2  35 o 2  4.21978e+02 4.05244e+00 3.11203e+02 270.000 9.28614e-07  -1.06221e+01 0.00000e+00 0.00000e+00 6.89603e+02 270.000 3.78400e+02 270.000 1.0000 
1 1 1 2  2  36 o 1  1.27190e+03 1.09834e+01 1.30792e+03 180.000 -1.52338e+02 0.00000e+00  0.00000e+00 0.00000e+00 1.69942e+03 180.000 3.91501e+02 180.000 1.0000 
1 1 1 2  2  37 o 12 1.54895e+02 3.10623e+00 1.67314e+02 270.000 2.29137e-07  -2.62102e+00 0.00000e+00 0.00000e+00 1.93933e+02 270.000 2.66190e+01 270.000 0.9895 
1 1 1 2  2  38 o 11 2.55800e+02 3.73859e+00 2.53325e+02 0.000   6.35207e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.47648e+02 0.000   9.43226e+01 0.000   1.0000 
1 1 1 2  2  39 o 8  7.02938e+01 5.56811e+00 1.40867e+02 90.000  -8.70106e-08 9.95285e-01  0.00000e+00 0.00000e+00 1.58348e+01 270.000 1.56702e+02 270.000 0.7596 
1 1 1 2  2  41 o 15 1.55106e+02 3.45191e+00 1.84780e+02 270.000 2.78210e-07  -3.18235e+00 0.00000e+00 0.00000e+00 1.74681e+02 270.000 1.00989e+01 90.000  0.9966 
1 1 1 2  2  42 o 1  1.22264e+02 3.93316e+00 1.92485e+02 180.000 -3.06089e+00 0.00000e+00  0.00000e+00 0.00000e+00 8.95833e+01 180.000 1.02902e+02 0.000   0.9956 
1 1 1 2  2  43 o 17 2.91087e+02 3.64113e+00 3.55564e+02 90.000  0.00000e+00  1.52509e+01  0.00000e+00 0.00000e+00 3.16473e+02 90.000  3.90909e+01 270.000 1.0000 
1 1 1 2  2  44 o 7  2.49891e+02 3.34431e+00 3.16730e+02 180.000 -1.32726e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.58037e+02 180.000 5.86930e+01 0.000   1.0000 
1 1 1 2  2  45 o 12 5.75875e+01 7.58372e+00 1.12797e+02 270.000 8.72476e-08  -9.97996e-01 0.00000e+00 0.00000e+00 1.24177e+01 90.000  1.25215e+02 90.000  0.7608 
1 1 1 2  2  46 o 5  5.50421e+01 7.77440e+00 4.49237e+01 0.000   4.67032e-01  0.00000e+00  0.00000e+00 0.00000e+00 9.82184e+00 0.000   3.51018e+01 180.000 0.4358 
1 1 1 2  2  47 o 8  4.32237e+02 4.54196e+00 4.90176e+02 270.000 -2.76853e-15 -4.52135e+01 0.00000e+00 0.00000e+00 4.92358e+02 270.000 2.18140e+00 270.000 1.0000 
1 1 1 2  2  48 o 17 1.59151e+02 3.62130e+00 2.05674e+02 0.000   6.89904e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.54617e+02 0.000   5.10576e+01 180.000 1.0000 
1 1 1 2  2  49 o 12 4.50306e+02 4.70164e+00 4.91087e+02 90.000  -4.45181e-06 5.09227e+01  0.00000e+00 0.00000e+00 5.24079e+02 90.000  3.29922e+01 90.000  1.0000 
1 1 1 2  2  50 o 17 3.43815e+01 1.26895e+01 4.93591e+01 180.000 -4.22446e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.85655e+01 0.000   6.79247e+01 0.000   0.3990 
1 1 1 2  2  51 o 1  2.71596e+01 1.27386e+01 3.94163e+01 270.000 0.00000e+00  -3.26148e-01 0.00000e+00 0.00000e+00 2.02917e+01 90.000  5.97080e+01 90.000  0.3151 
1 1 1 2  2  52 f 0  5.46063e+01 7.31870e+00 3.31091e+00 180.000 -5.82519e-02 0.00000e+00  0.00000e+00 0.00000e+00 3.75900e+00 180.000 4.48090e-01 180.000 0.0582 
1 1 1 2  2  53 o 8  1.46295e+02 3.57174e+00 1.22720e+02 90.000  -5.21442e-07 5.96460e+00  0.00000e+00 0.00000e+00 2.01327e+02 90.000  7.86065e+01 90.000  1.0000 
1 1 1 2  2  54 o 11 2.16886e+02 4.09292e+00 1.87487e+02 0.000   1.40948e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.90716e+02 0.000   1.03229e+02 0.000   1.0000 
1 1 1 2  2  55 o 18 9.55400e+01 6.13311e+00 1.00339e+02 270.000 3.58175e-07  -4.09705e+00 0.00000e+00 0.00000e+00 1.09209e+02 270.000 8.87034e+00 270.000 0.9994 
1 1 1 2  2  56 o 16 1.51690e+02 4.52384e+00 2.23719e+02 0.000   1.61589e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.07577e+02 0.000   1.16142e+02 180.000 1.0000 
1 1 1 2  2  57 o 12 1.13838e+02 4.14748e+00 1.56139e+02 90.000  -7.26858e-07 8.31428e+00  0.00000e+00 0.00000e+00 9.12789e+01 90.000  6.48601e+01 270.000 1.0000 
1 1 1 2  2  58 o 18 1.01046e+02 4.27832e+00 9.44592e+01 180.000 -5.20011e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.24056e+02 180.000 2.95963e+01 180.000 0.9999 
1 1 1 2  2  60 o 5  1.85761e+01 1.11630e+01 3.53297e+01 180.000 -4.10353e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.98695e+01 0.000   5.51992e+01 0.000   0.3888 
1 1 1 2  2  61 o 13 5.78725e+01 6.68044e+00 5.52153e+01 270.000 0.00000e+00  -2.11728e+00 0.00000e+00 0.00000e+00 6.45107e+01 270.000 9.29546e+00 270.000 0.9714 
1 1 1 2  2  62 o 10 2.67063e+01 1.25559e+01 3.13075e+01 180.000 -5.22656e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.16677e+00 0.000   3.54743e+01 0.000   0.4797 
1 1 1 2  2  63 o 5  9.17635e+01 6.19852e+00 1.11365e+02 90.000  4.80867e-16  7.85316e+00  0.00000e+00 0.00000e+00 8.19762e+01 90.000  2.93885e+01 270.000 1.0000 
1 1 1 2  2  64 o 10 1.38703e+01 9.81888e+00 2.51594e+01 180.000 -2.85875e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.70698e+01 0.000   4.22292e+01 0.000   0.2783 
1 1 1 2  2  65 o 12 4.18932e+01 1.45213e+01 4.11341e+01 90.000  -1.10496e-07 1.26392e+00  0.00000e+00 0.00000e+00 3.32557e+01 90.000  7.87843e+00 270.000 0.8521 
1 1 1 2  2  66 o 12 8.02367e+01 7.33826e+00 8.51373e+01 180.000 -6.76959e+00 0.00000e+00  0.00000e+00 0.00000e+00 8.11181e+01 180.000 4.01920e+00 0.000   1.0000 
1 1 1 2  2  67 o 3  2.42738e+01 1.42066e+01 2.01372e+00 90.000  -4.08928e-09 4.67759e-02  0.00000e+00 0.00000e+00 3.23801e-01 90.000  1.68992e+00 270.000 0.0467 
1 1 1 2  2  68 o 1  1.30644e+01 9.34432e+00 7.14466e+00 180.000 -1.09321e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.23092e+00 0.000   1.13756e+01 0.000   0.1089 
1 1 1 2  2  69 o 9  1.19666e+02 7.34888e+00 1.20495e+02 270.000 1.55053e-06  -1.77359e+01 0.00000e+00 0.00000e+00 1.23167e+02 270.000 2.67240e+00 270.000 1.0000 
1 1 1 3  0  1  o 12 1.36783e+02 2.14994e+00 5.45196e+01 315.000 1.34345e-02  -1.34345e-02 0.00000e+00 0.00000e+00 4.80217e+01 135.000 1.02541e+02 135.000 0.0190 
1 1 1 3  0  2  o 11 4.37298e+02 3.97199e+00 4.91155e+02 180.000 -5.22961e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.36520e+01 180.000 4.57503e+02 0.000   0.4800 
1 1 1 3  0  3  o 2  2.23894e+02 3.44388e+00 4.64005e+01 225.000 -2.12736e-01 -2.12736e-01 0.00000e+00 0.00000e+00 1.17081e+02 225.000 7.06801e+01 225.000 0.2921 
1 1 1 3  0  4  o 16 6.06691e+02 5.34538e+00 5.90708e+02 90.000  5.80364e-16  9.47807e+00  0.00000e+00 0.00000e+00 9.25434e+02 90.000  3.34726e+02 90.000  1.0000 
1 1 1 3  0  5  o 12 3.69086e+02 3.45602e+00 2.93970e+00 315.000 1.83066e-02  -1.83066e-02 0.00000e+00 0.00000e+00 2.09250e+01 315.000 1.79853e+01 315.000 0.0259 
1 1 1 3  0  6  o 16 4.02843e+02 3.71228e+00 3.49827e+02 0.000   3.00880e+00  0.00000e+00  0.00000e+00 0.00000e+00 6.51136e+02 0.000   3.01309e+02 0.000   0.9951 
1 1 1 3  0  7  o 1  5.49354e+01 3.66710e+00 1.27133e+02 225.000 -9.40504e-02 -9.40504e-02 0.00000e+00 0.00000e+00 1.09006e+02 45.000  2.36139e+02 45.000  0.1322 
1 1 1 3  0  8  o 12 1.98583e+02 2.39279e+00 2.63314e+02 90.000  -7.76807e-08 8.88563e-01  0.00000e+00 0.00000e+00 8.86453e+01 90.000  1.74668e+02 270.000 0.7107 
1 1 1 3  0  9  o 5  3.65646e+01 5.63691e+00 1.34881e+02 315.000 1.06093e-01  -1.06093e-01 0.00000e+00 0.00000e+00 1.21311e+02 135.000 2.56193e+02 135.000 0.1489 
1 1 1 3  0  10 o 10 7.89425e+02 7.34249e+00 8.22484e+02 0.000   1.76963e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.14318e+03 0.000   3.20695e+02 0.000   1.0000 
1 1 1 3  0  11 o 15 8.22153e+02 7.13744e+00 5.46272e+02 225.000 -7.79955e+00 -7.79955e+00 0.00000e+00 0.00000e+00 1.49903e+03 225.000 9.52757e+02 225.000 1.0000 
1 1 1 3  0  12 o 13 5.64524e+02 5.00960e+00 5.44764e+02 270.000 7.95602e-07  -9.10063e+00 0.00000e+00 0.00000e+00 8.58233e+02 270.000 3.13469e+02 270.000 1.0000 
1 1 1 3  0  13 o 9  7.40502e+02 6.45681e+00 5.86874e+02 135.000 -8.26907e+00 8.26907e+00  0.00000e+00 0.00000e+00 1.25149e+03 135.000 6.64616e+02 135.000 1.0000 
1 1 1 3  0  14 o 16 4.35083e+02 3.98772e+00 7.80183e+02 180.000 -8.36478e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.98693e+02 180.000 4.81490e+02 0.000   1.0000 
1 1 1 3  0  15 o 17 6.28411e+01 4.07966e+00 2.58827e+01 225.000 -4.43410e-02 -4.43410e-02 0.00000e+00 0.00000e+00 1.61361e+01 45.000  4.20189e+01 45.000  0.0626 
1 1 1 3  0  16 f 0  6.77339e+02 7.56320e+00 9.50032e+02 270.000 2.00180e-06  -2.28979e+01 0.00000e+00 0.00000e+00 7.25226e+02 270.000 2.24806e+02 90.000  1.0000 
1 1 1 3  0  17 o 10 2.37575e+02 3.39932e+00 3.04732e+02 315.000 2.57351e+00  -2.57351e+00 0.00000e+00 0.00000e+00 2.81216e+02 315.000 2.35155e+01 135.000 0.9986 
1 1 1 3  0  18 f 0  2.94337e+02 3.76507e+00 2.08646e+01 0.000   2.88789e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.83113e+02 0.000   1.62249e+02 0.000   0.2810 
1 1 1 3  0  19 o 12 1.26355e+02 3.46252e+00 8.96404e+01 45.000  4.72697e-01  4.72697e-01  0.00000e+00 0.00000e+00 9.20390e+01 45.000  2.39855e+00 45.000  0.5840 
1 1 1 3  0  20 o 8  2.20389e+02 3.44691e+00 1.24582e+02 90.000  -1.33723e-07 1.52961e+00  0.00000e+00 0.00000e+00 3.68569e+02 90.000  2.43987e+02 90.000  0.9104 
1 1 1 3  0  21 o 9  2.18740e+02 3.60911e+00 4.27356e+02 315.000 4.73138e+00  -4.73138e+00 0.00000e+00 0.00000e+00 1.09350e+02 315.000 3.18006e+02 135.000 1.0000 
1 1 1 3  0  22 o 10 3.06725e+02 5.32895e+00 4.57940e+02 0.000   1.07154e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.93257e+02 0.000   1.64683e+02 180.000 1.0000 
1 1 1 3  0  23 o 5  2.06718e+02 3.55190e+00 1.49497e+02 45.000  1.59585e+00  1.59585e+00  0.00000e+00 0.00000e+00 3.44838e+02 45.000  1.95340e+02 45.000  0.9783 
1 1 1 3  0  24 o 8  1.27606e+02 7.12169e+00 1.90327e+02 90.000  -1.70490e-07 1.95018e+00  0.00000e+00 0.00000e+00 1.08606e+02 90.000  8.17212e+01 270.000 0.9603 
1 1 1 3  0  25 o 12 2.57176e+02 3.79908e+00 1.58573e+02 135.000 -2.82569e+00 2.82569e+00  0.00000e+00 0.00000e+00 4.67030e+02 135.000 3.08457e+02 135.000 0.9993 
1 1 1 3  0  26 o 5  3.64005e+02 4.60547e+00 4.42373e+02 0.000   1.51577e+01  0.00000e+00  0.00000e+00 0.00000e+00 4.41753e+02 0.000   6.19842e-01 180.000 1.0000 
1 1 1 3  0  27 o 12 2.81822e+02 3.65989e+00 2.82937e+02 225.000 -4.53353e+00 -4.53353e+00 0.00000e+00 0.00000e+00 4.00010e+02 225.000 1.17073e+02 225.000 1.0000 
1 1 1 3  0  28 o 17 3.54465e+02 4.62840e+00 3.78211e+02 90.000  6.22371e-16  1.01641e+01  0.00000e+00 0.00000e+00 4.78743e+02 90.000  1.00532e+02 90.000  1.0000 
1 1 1 3  0  29 f 0  1.88940e+02 3.43943e+00 2.85661e+02 135.000 -3.34521e+00 3.34521e+00  0.00000e+00 0.00000e+00 1.69927e+02 135.000 1.15734e+02 315.000 0.9998 
1 1 1 3  0  30 o 7  2.80518e+02 3.75069e+00 3.24904e+02 180.000 -7.58318e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.49890e+02 180.000 2.49857e+01 180.000 1.0000 
1 1 1 3  0  31 o 9  9.30513e+01 5.71646e+00 6.94612e+01 225.000 -3.13384e-01 -3.13384e-01 0.00000e+00 0.00000e+00 2.34747e+01 225.000 4.59866e+01 45.000  0.4163 
1 1 1 3  0  32 o 13 3.74641e+01 1.26806e+01 1.49411e+02 270.000 0.00000e+00  -4.46012e-01 0.00000e+00 0.00000e+00 1.11886e+02 90.000  2.61298e+02 90.000  0.4186 
1 1 1 3  0  33 o 6  3.43587e+01 1.32752e+01 8.02182e+01 315.000 1.27160e-01  -1.27160e-01 0.00000e+00 0.00000e+00 6.56326e+01 135.000 1.45851e+02 135.000 0.1779 
1 1 1 3  0  34 o 6  8.39884e+01 6.62086e+00 3.41600e+01 180.000 -2.40756e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.30390e+01 180.000 2.11209e+01 0.000   0.2362 
1 1 1 3  0  35 o 4  1.70168e+02 4.72084e+00 2.59640e+01 45.000  2.42112e-01  2.42112e-01  0.00000e+00 0.00000e+00 1.07084e+02 45.000  8.11204e+01 45.000  0.3296 
1 1 1 3  0  36 o 6  3.47598e+02 5.22697e+00 4.25541e+02 270.000 1.19209e-06  -1.36359e+01 0.00000e+00 0.00000e+00 3.96454e+02 270.000 2.90877e+01 90.000  1.0000 
1 1 1 3  0  37 o 9  5.14245e+02 6.83564e+00 5.11615e+02 135.000 -1.86767e+01 1.86767e+01  0.00000e+00 0.00000e+00 7.00641e+02 135.000 1.89027e+02 135.000 1.0000 
1 1 1 3  0  38 o 5  1.90207e+01 1.25298e+01 2.75947e+02 0.000   5.04592e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.55132e+02 180.000 5.31080e+02 180.000 0.4657 
1 1 1 3  0  39 o 15 2.94559e+02 4.95975e+00 3.41235e+02 45.000  7.12860e+00  7.12860e+00  0.00000e+00 0.00000e+00 3.48606e+02 45.000  7.37104e+00 45.000  1.0000 
1 1 1 3  0  40 o 7  5.00378e+02 7.76159e+00 3.62000e+02 90.000  1.18515e-15  1.93549e+01  0.00000e+00 0.00000e+00 8.05870e+02 90.000  4.43870e+02 90.000  1.0000 
1 1 1 3  0  41 o 12 2.31565e+02 4.09394e+00 3.07452e+02 315.000 5.57068e+00  -5.57068e+00 0.00000e+00 0.00000e+00 2.31130e+02 315.000 7.63217e+01 135.000 1.0000 
1 1 1 3  0  42 o 17 3.83226e+02 5.70148e+00 5.55462e+02 180.000 -2.75410e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.32673e+02 180.000 2.22789e+02 0.000   1.0000 
1 1 1 3  0  43 f 0  1.17082e+02 4.55979e+00 7.22825e+01 225.000 -8.78482e-01 -8.78482e-01 0.00000e+00 0.00000e+00 1.56467e+02 225.000 8.41842e+01 225.000 0.8461 
1 1 1 3  0  44 o 11 3.01511e+01 1.41712e+01 1.97460e+01 90.000  -8.40112e-09 9.60977e-02  0.00000e+00 0.00000e+00 1.31012e+01 270.000 3.28472e+01 270.000 0.0958 
1 1 1 3  0  45 o 3  3.78659e+02 4.68838e+00 4.43809e+02 135.000 -1.83293e+01 1.83293e+01  0.00000e+00 0.00000e+00 4.23919e+02 135.000 1.98900e+01 315.000 1.0000 
1 1 1 3  0  46 o 17 1.95900e+02 3.71085e+00 1.37279e+02 180.000 -5.11995e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.09850e+02 180.000 1.72571e+02 180.000 0.9999 
1 1 1 3  0  47 o 15 2.47078e+02 3.97965e+00 3.00064e+02 225.000 -1.11786e+01 -1.11786e+01 0.00000e+00 0.00000e+00 2.61658e+02 225.000 3.84059e+01 45.000  1.0000 
1 1 1 3  0  48 o 13 5.84866e+01 7.74813e+00 1.38386e+02 90.000  -1.47184e-07 1.68359e+00  0.00000e+00 0.00000e+00 1.47922e+01 270.000 1.53179e+02 270.000 0.9333 
1 1 1 3  0  49 o 2  9.53358e+01 4.99906e+00 2.39367e+02 315.000 3.70604e+00  -3.70604e+00 0.00000e+00 0.00000e+00 2.44240e+01 135.000 2.63791e+02 135.000 0.9999 
1 1 1 3  0  50 o 8  1.99041e+02 3.62357e+00 7.96778e+01 180.000 -3.85340e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.66787e+02 180.000 2.87109e+02 180.000 0.9991 
1 1 1 3  0  51 o 5  4.63852e+01 1.18698e+01 7.73156e+01 45.000  7.76981e-01  7.76981e-01  0.00000e+00 0.00000e+00 5.64138e+00 45.000  7.16742e+01 225.000 0.8001 
1 1 1 3  0  52 o 5  1.93710e+01 1.20835e+01 1.05156e+01 90.000  -5.66195e-09 6.47651e-02  0.00000e+00 0.00000e+00 7.72751e+00 270.000 1.82431e+01 270.000 0.0647 
1 1 1 3  0  53 o 4  2.55398e+01 1.47873e+01 3.12794e+01 315.000 1.74194e-01  -1.74194e-01 0.00000e+00 0.00000e+00 1.76163e+01 135.000 4.88958e+01 135.000 0.2415 
1 1 1 3  0  54 o 10 4.97705e+01 1.40899e+01 1.45982e+02 0.000   2.35133e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.82031e+01 180.000 1.84185e+02 180.000 0.9820 
1 1 1 3  0  55 o 14 2.19586e+02 5.85073e+00 1.95662e+02 225.000 -1.29860e+01 -1.29860e+01 0.00000e+00 0.00000e+00 2.86291e+02 225.000 9.06295e+01 225.000 1.0000 
1 1 1 3  0  56 f 0  7.25833e+01 1.03101e+01 1.35560e+02 90.000  2.74250e-16  4.47884e+00  0.00000e+00 0.00000e+00 2.29457e+01 90.000  1.12614e+02 270.000 0.9997 
1 1 1 3  0  57 o 16 5.59753e+01 1.50926e+01 8.09778e+01 135.000 -1.35249e+00 1.35249e+00  0.00000e+00 0.00000e+00 3.55030e+01 135.000 4.54748e+01 315.000 0.9573 
1 1 1 3  0  58 o 2  3.13367e+01 1.81009e+01 7.59885e+01 0.000   1.09608e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.18261e+01 180.000 9.78146e+01 180.000 0.7991 
1 1 1 3  0  59 o 9  2.18820e+02 9.53138e+00 2.18242e+02 45.000  1.47701e+01  1.47701e+01  0.00000e+00 0.00000e+00 2.52677e+02 45.000  3.44350e+01 45.000  1.0000 
1 1 1 3  0  60 o 16 1.06799e+02 6.88107e+00 7.23536e+01 270.000 0.00000e+00  -5.08870e+00 0.00000e+00 0.00000e+00 1.56291e+02 270.000 8.39372e+01 270.000 0.9999 
1 1 1 3  0  61 o 11 1.02015e+02 8.39135e+00 1.12530e+02 135.000 -5.27608e+00 5.27608e+00  0.00000e+00 0.00000e+00 1.04753e+02 135.000 7.77733e+00 315.000 1.0000 
1 1 1 3  0  62 o 4  7.96932e+01 1.06425e+01 1.33760e+02 0.000   7.81662e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.50813e+01 0.000   9.86784e+01 180.000 1.0000 
1 1 1 3  0  63 o 19 1.44879e+01 1.05219e+01 1.79631e+01 225.000 -1.33447e-01 -1.33447e-01 0.00000e+00 0.00000e+00 1.22689e+01 45.000  3.02320e+01 45.000  0.1865 
1 1 1 3  0  64 o 9  1.58250e+02 6.69403e+00 1.66758e+02 270.000 1.97528e-06  -2.25946e+01 0.00000e+00 0.00000e+00 1.64891e+02 270.000 1.86643e+00 90.000  1.0000 
1 1 1 3  0  65 o 16 1.74796e+02 7.15880e+00 1.14417e+02 315.000 1.18004e+01  -1.18004e+01 0.00000e+00 0.00000e+00 2.49876e+02 315.000 1.35458e+02 315.000 1.0000 
1 1 1 3  0  66 o 11 3.41552e+01 1.77129e+01 2.13632e+01 180.000 -5.70296e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.51303e+01 180.000 6.23298e+00 0.000   0.5156 
1 1 1 3  0  67 o 1  8.07903e+01 1.06187e+01 8.71091e+01 225.000 -5.21547e+00 -5.21547e+00 0.00000e+00 0.00000e+00 7.93596e+01 225.000 7.74952e+00 45.000  1.0000 
1 1 1 3  0  68 o 17 3.41438e+01 1.80054e+01 8.40383e+01 90.000  -2.28617e-07 2.61507e+00  0.00000e+00 0.00000e+00 1.48382e+01 270.000 9.88765e+01 270.000 0.9894 
1 1 1 3  0  69 o 12 1.92242e+01 1.32943e+01 3.23516e+01 315.000 4.68479e-01  -4.68479e-01 0.00000e+00 0.00000e+00 9.64311e+00 135.000 4.19947e+01 135.000 0.5800 
1 1 1 3  1  0  o 11 5.37240e+02 4.79651e+00 3.43921e+02 0.000   4.33589e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.04734e+02 0.000   1.39188e+02 180.000 0.4083 
1 1 1 3  1  1  f 0  3.88531e+02 2.55246e+00 6.47114e+02 82.854  1.44762e-01  1.15464e+00  0.00000e+00 0.00000e+00 1.59908e+02 262.854 8.07022e+02 262.854 0.5014 
1 1 1 3  1  2  o 11 5.33932e+02 3.39021e+00 2.20203e+02 248.079 -2.48860e+00 -6.18411e+00 0.00000e+00 0.00000e+00 1.01032e+03 248.079 7.90114e+02 248.079 0.9216 
1 1 1 3  1  3  o 18 3.82111e+02 2.54370e+00 2.44109e+02 276.947 6.00294e-01  -4.92684e+00 0.00000e+00 0.00000e+00 6.08548e+02 276.947 3.64438e+02 276.947 0.8925 
1 1 1 3  1  4  o 7  2.09990e+02 1.84678e+00 8.09932e+01 193.432 -8.11087e-01 -1.93708e-01 0.00000e+00 0.00000e+00 1.20789e+02 193.432 3.97954e+01 193.432 0.3845 
1 1 1 3  1  5  o 2  1.77081e+02 1.74533e+00 1.27645e+02 237.885 -5.35860e-01 -8.53750e-01 0.00000e+00 0.00000e+00 7.10963e+01 237.885 5.65486e+01 57.885  0.4492 
1 1 1 3  1  6  o 18 3.70458e+02 2.46263e+00 3.03079e+02 114.437 -1.86879e+00 4.11260e+00  0.00000e+00 0.00000e+00 5.11801e+02 114.437 2.08722e+02 114.437 0.8808 
1 1 1 3  1  7  o 9  4.77371e+02 3.04527e+00 4.42912e+02 129.719 -4.88580e+00 5.88107e+00  0.00000e+00 0.00000e+00 6.67633e+02 129.719 2.24722e+02 129.719 0.9321 
1 1 1 3  1  8  o 18 4.19970e+02 2.83698e+00 3.62652e+02 136.726 -3.60275e+00 3.39197e+00  0.00000e+00 0.00000e+00 5.71891e+02 136.726 2.09238e+02 136.726 0.8922 
1 1 1 3  1  9  o 2  5.28905e+02 3.46192e+00 7.47679e+02 206.410 -2.07256e+01 -1.02926e+01 0.00000e+00 0.00000e+00 5.41753e+02 206.410 2.05927e+02 26.410  0.9781 
1 1 1 3  1  10 f 0  7.15087e+02 4.41894e+00 8.00193e+02 228.030 -2.01722e+01 -2.24273e+01 0.00000e+00 0.00000e+00 9.50850e+02 228.030 1.50658e+02 228.030 0.9833 
1 1 1 3  1  11 o 10 5.02785e+02 3.32060e+00 7.12304e+02 107.245 -5.06858e+00 1.63285e+01  0.00000e+00 0.00000e+00 5.01519e+02 107.245 2.10785e+02 287.245 0.9703 
1 1 1 3  1  12 o 17 7.35556e+02 4.54312e+00 9.33149e+02 267.861 -1.47645e+00 -3.95384e+01 0.00000e+00 0.00000e+00 8.71913e+02 267.861 6.12358e+01 87.861  0.9873 
1 1 1 3  1  13 o 17 4.90342e+02 3.13099e+00 5.57340e+02 321.247 1.12241e+01  -9.00910e+00 0.00000e+00 0.00000e+00 6.17065e+02 321.247 5.97253e+01 321.247 0.9646 
1 1 1 3  1  14 o 10 1.17858e+03 7.17016e+00 1.27954e+03 35.598  5.91136e+01  4.23173e+01  0.00000e+00 0.00000e+00 1.62325e+03 35.598  3.43711e+02 35.598  0.9931 
1 1 1 3  1  15 o 16 2.32166e+02 1.91452e+00 2.68919e+02 280.977 9.01521e-01  -4.64783e+00 0.00000e+00 0.00000e+00 2.41071e+02 280.977 2.78486e+01 100.977 0.8868 
1 1 1 3  1  16 o 14 6.24952e+02 4.05495e+00 6.07305e+02 125.010 -1.52830e+01 2.18179e+01  0.00000e+00 0.00000e+00 9.09303e+02 125.010 3.01998e+02 125.010 0.9810 
1 1 1 3  1  17 o 1  6.69654e+02 4.66838e+00 8.28138e+02 207.203 -4.88638e+01 -2.51157e+01 0.00000e+00 0.00000e+00 8.10867e+02 207.203 1.72705e+01 27.203  0.9909 
1 1 1 3  1  18 o 5  5.45298e+02 3.75364e+00 6.77764e+02 282.013 7.14836e+00  -3.35928e+01 0.00000e+00 0.00000e+00 6.47434e+02 282.013 3.03306e+01 102.013 0.9853 
1 1 1 3  1  19 o 19 7.11418e+02 4.93047e+00 9.73632e+02 336.761 7.41956e+01  -3.18606e+01 0.00000e+00 0.00000e+00 7.67330e+02 336.761 2.06302e+02 156.761 0.9938 
1 1 1 3  1  20 o 19 3.80406e+02 3.26356e+00 4.46820e+02 307.173 1.13375e+01  -1.49512e+01 0.00000e+00 0.00000e+00 4.63072e+02 307.173 1.62516e+01 307.173 0.9730 
1 1 1 3  1  21 o 19 2.83204e+02 2.93994e+00 4.16672e+02 90.892  -2.61078e-01 1.67652e+01  0.00000e+00 0.00000e+00 2.57253e+02 90.892  1.59419e+02 270.892 0.9697 
1 1 1 3  1  22 o 16 5.27223e+02 3.96923e+00 6.87664e+02 4.957   5.47345e+01  4.74693e+00  0.00000e+00 0.00000e+00 5.91927e+02 4.957   9.57364e+01 184.957 0.9909 
1 1 1 3  1  23 o 7  4.15367e+01 6.17269e+00 1.56788e+02 29.265  8.20422e-01  4.59736e-01  0.00000e+00 0.00000e+00 1.13642e+02 209.265 2.70430e+02 209.265 0.4249 
1 1 1 3  1  24 o 4  3.53167e+02 3.02793e+00 3.92706e+02 304.740 1.26688e+01  -1.82689e+01 0.00000e+00 0.00000e+00 4.49322e+02 304.740 5.66160e+01 304.740 0.9772 
1 1 1 3  1  25 o 18 4.85497e+02 3.52102e+00 5.68928e+02 13.851  5.22365e+01  1.28796e+01  0.00000e+00 0.00000e+00 6.02018e+02 13.851  3.30903e+01 13.851  0.9907 
1 1 1 3  1  26 o 2  5.02708e+02 4.08639e+00 7.61664e+02 89.401  6.62488e-01  6.33517e+01  0.00000e+00 0.00000e+00 4.49853e+02 89.401  3.11812e+02 269.401 0.9921 
1 1 1 3  1  27 o 9  1.74796e+02 2.53825e+00 2.50880e+02 141.785 -5.52096e+00 4.34691e+00  0.00000e+00 0.00000e+00 1.41349e+02 141.785 1.09531e+02 321.785 0.9258 
1 1 1 3  1  28 o 5  1.12179e+02 2.93593e+00 1.25511e+02 236.698 -1.16830e+00 -1.77842e+00 0.00000e+00 0.00000e+00 6.91563e+01 236.698 5.63550e+01 56.698  0.7177 
1 1 1 3  1  29 o 1  2.75821e+02 2.47950e+00 3.27283e+02 213.564 -1.31358e+01 -8.71545e+00 0.00000e+00 0.00000e+00 3.16538e+02 213.564 1.07450e+01 33.564  0.9677 
1 1 1 3  1  30 f 0  2.90656e+02 2.79669e+00 2.56694e+02 42.622  9.09747e+00  8.37194e+00  0.00000e+00 0.00000e+00 4.13681e+02 42.622  1.56987e+02 42.622  0.9587 
1 1 1 3  1  31 o 9  7.27474e+02 5.07932e+00 9.44087e+02 271.476 2.41392e+00  -9.36502e+01 0.00000e+00 0.00000e+00 7.92182e+02 271.476 1.51905e+02 91.477  0.9946 
1 1 1 3  1  32 o 19 2.31386e+02 2.28110e+00 2.04204e+02 88.944  1.40300e-01  7.61083e+00  0.00000e+00 0.00000e+00 3.11744e+02 88.944  1.07540e+02 88.944  0.9318 
1 1 1 3  1  33 o 5  7.06425e+02 4.94182e+00 7.77712e+02 132.658 -4.88861e+01 5.30546e+01  0.00000e+00 0.00000e+00 8.96332e+02 132.658 1.18620e+02 132.658 0.9930 
1 1 1 3  1  34 o 13 3.96533e+02 3.08222e+00 4.05356e+02 334.962 2.44098e+01  -1.14022e+01 0.00000e+00 0.00000e+00 5.20495e+02 334.962 1.15139e+02 334.962 0.9813 
1 1 1 3  1  35 o 16 2.57119e+02 2.97613e+00 3.56650e+02 24.498  1.28920e+01  5.87465e+00  0.00000e+00 0.00000e+00 2.31396e+02 24.498  1.25254e+02 204.498 0.9640 
1 1 1 3  1  36 o 13 5.29533e+02 4.20320e+00 5.87662e+02 74.999  1.47861e+01  5.51786e+01  0.00000e+00 0.00000e+00 6.53737e+02 74.999  6.60742e+01 74.999  0.9912 
1 1 1 3  1  37 o 7  4.54119e+02 3.69621e+00 4.33198e+02 347.122 3.84803e+01  -8.79779e+00 0.00000e+00 0.00000e+00 6.23822e+02 347.122 1.90624e+02 347.122 0.9873 
1 1 1 3  1  38 o 9  4.03509e+02 3.30594e+00 4.77869e+02 182.572 -3.74932e+01 -1.68448e+00 0.00000e+00 0.00000e+00 4.57686e+02 182.572 2.01830e+01 2.572   0.9866 
1 1 1 3  1  39 f 0  4.03805e+02 3.32007e+00 4.04788e+02 168.121 -3.20036e+01 6.73178e+00  0.00000e+00 0.00000e+00 5.26462e+02 168.121 1.21675e+02 168.121 0.9846 
1 1 1 3  1  40 o 4  5.30142e+02 4.23220e+00 5.10180e+02 228.442 -3.83561e+01 -4.32656e+01 0.00000e+00 0.00000e+00 7.16587e+02 228.442 2.06408e+02 228.442 0.9913 
1 1 1 3  1  41 o 5  5.00180e+02 3.87700e+00 4.75078e+02 227.274 -3.55207e+01 -3.84586e+01 0.00000e+00 0.00000e+00 6.77259e+02 227.274 2.02181e+02 227.274 0.9904 
1 1 1 3  1  42 o 18 2.40053e+02 2.86525e+00 2.55438e+02 339.004 1.48094e+01  -5.68363e+00 0.00000e+00 0.00000e+00 2.83135e+02 339.004 2.76977e+01 339.004 0.9679 
1 1 1 3  1  43 o 5  1.79726e+02 3.15251e+00 6.78626e+01 199.951 -3.35821e+00 -1.21904e+00 0.00000e+00 0.00000e+00 2.82778e+02 199.951 2.14916e+02 199.951 0.8448 
1 1 1 3  1  44 o 11 4.90660e+02 3.85164e+00 5.71495e+02 289.461 3.10762e+01  -8.79457e+01 0.00000e+00 0.00000e+00 5.51308e+02 289.461 2.01871e+01 109.461 0.9946 
1 1 1 3  1  46 o 15 9.69156e+01 4.26835e+00 1.17767e+02 308.714 2.69893e+00  -3.36709e+00 0.00000e+00 0.00000e+00 7.57473e+01 308.714 4.20200e+01 128.714 0.8746 
1 1 1 3  1  47 o 12 1.17161e+02 3.60198e+00 1.13558e+02 276.289 6.18833e-01  -5.61509e+00 0.00000e+00 0.00000e+00 1.27942e+02 276.289 1.43845e+01 276.289 0.9065 
1 1 1 3  1  48 o 7  5.30379e+02 3.83274e+00 4.55384e+02 115.655 -4.37309e+01 9.10478e+01  0.00000e+00 0.00000e+00 7.39691e+02 115.655 2.84307e+02 115.655 0.9950 
1 1 1 3  1  49 o 4  1.24107e+02 3.45378e+00 1.50015e+02 227.518 -5.76647e+00 -6.29708e+00 0.00000e+00 0.00000e+00 1.12911e+02 227.518 3.71037e+01 47.519  0.9395 
1 1 1 3  1  50 o 5  2.07834e+02 2.92858e+00 1.98627e+02 207.431 -1.77523e+01 -9.21414e+00 0.00000e+00 0.00000e+00 2.56228e+02 207.431 5.76008e+01 207.431 0.9747 
1 1 1 3  1  51 o 13 1.38914e+02 3.22750e+00 1.68128e+02 59.123  7.64680e+00  1.27884e+01  0.00000e+00 0.00000e+00 1.31827e+02 59.123  3.63008e+01 239.123 0.9658 
1 1 1 3  1  52 o 7  2.55116e+02 2.76567e+00 2.32910e+02 94.327  -2.98415e+00 3.94388e+01  0.00000e+00 0.00000e+00 3.27689e+02 94.327  9.47789e+01 94.327  0.9873 
1 1 1 3  1  53 o 1  1.77111e+02 2.94041e+00 1.90686e+02 85.347  1.81172e+00  2.22583e+01  0.00000e+00 0.00000e+00 1.92849e+02 85.347  2.16245e+00 85.347  0.9773 
1 1 1 3  1  54 o 4  3.11664e+01 8.33916e+00 5.62044e+01 89.161  1.69297e-02  1.15646e+00  0.00000e+00 0.00000e+00 2.18958e+01 269.161 7.81003e+01 269.161 0.4991 
1 1 1 3  1  55 o 13 2.06228e+02 3.23914e+00 1.47699e+02 226.681 -1.79501e+01 -1.90359e+01 0.00000e+00 0.00000e+00 2.96263e+02 226.681 1.48564e+02 226.681 0.9807 
1 1 1 3  1  56 o 17 1.16161e+02 3.64927e+00 9.63013e+01 120.073 -5.30620e+00 9.16362e+00  0.00000e+00 0.00000e+00 1.45173e+02 120.073 4.88721e+01 120.073 0.9515 
1 1 1 3  1  57 o 8  1.43954e+02 3.31710e+00 1.69659e+02 257.526 -4.90882e+00 -2.21907e+01 0.00000e+00 0.00000e+00 1.36337e+02 257.526 3.33222e+01 77.526  0.9777 
1 1 1 3  1  58 o 19 3.50138e+01 8.36008e+00 4.36407e+01 159.951 -1.45595e+00 5.31346e-01  0.00000e+00 0.00000e+00 2.42872e+00 159.951 4.12120e+01 339.951 0.6082 
1 1 1 3  1  60 o 15 8.40367e+01 4.79431e+00 7.38969e+01 10.202  8.04761e+00  1.44824e+00  0.00000e+00 0.00000e+00 9.46638e+01 10.202  2.07670e+01 10.202  0.9367 
1 1 1 3  1  61 o 10 1.06389e+02 3.82266e+00 1.05477e+02 34.568  1.23493e+01  8.50896e+00  0.00000e+00 0.00000e+00 1.13464e+02 34.568  7.98684e+00 34.568  0.9661 
1 1 1 3  1  62 o 15 1.45271e+02 3.36222e+00 1.42900e+02 313.811 2.26460e+01  -2.36062e+01 0.00000e+00 0.00000e+00 1.60178e+02 313.811 1.72778e+01 313.811 0.9846 
1 1 1 3  1  63 o 18 1.97859e+02 3.07634e+00 1.80651e+02 256.775 -1.27388e+01 -5.42062e+01 0.00000e+00 0.00000e+00 2.32585e+02 256.775 5.19344e+01 256.775 0.9910 
1 1 1 3  1  64 o 5  7.49111e+01 5.19556e+00 6.24622e+01 9.742   7.82377e+00  1.34322e+00  0.00000e+00 0.00000e+00 8.43023e+01 9.742   2.18401e+01 9.742   0.9347 
1 1 1 3  1  65 o 16 7.33125e+01 5.25634e+00 9.01003e+01 162.178 -1.04467e+01 3.35847e+00  0.00000e+00 0.00000e+00 5.55738e+01 162.178 3.45265e+01 342.178 0.9533 
1 1 1 3  1  66 f 0  1.19156e+02 3.96849e+00 6.02111e+01 141.778 -1.14093e+01 8.98514e+00  0.00000e+00 0.00000e+00 1.78097e+02 141.778 1.17886e+02 141.778 0.9649 
1 1 1 3  1  67 o 3  3.47477e+01 8.46077e+00 2.66930e+01 40.548  1.42903e+00  1.22256e+00  0.00000e+00 0.00000e+00 2.17973e+01 40.548  4.89568e+00 220.548 0.6772 
1 1 1 3  1  68 o 13 7.23458e+01 5.41173e+00 1.04089e+02 271.301 4.14174e-01  -1.82292e+01 0.00000e+00 0.00000e+00 4.00117e+01 271.301 6.40772e+01 91.302  0.9722 
1 1 1 3  1  69 o 17 8.48496e+01 5.92221e+00 9.53005e+01 260.465 -3.22391e+00 -1.91934e+01 0.00000e+00 0.00000e+00 7.30176e+01 260.465 2.22828e+01 80.465  0.9740 
1 1 1 3  2  0  o 3  2.99797e+02 2.99871e+00 9.59350e+01 0.000   6.77512e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.46576e+02 0.000   2.50641e+02 0.000   0.5899 
1 1 1 3  2  1  o 12 3.31202e+02 2.27361e+00 1.77951e+02 114.168 -1.12487e+00 2.50665e+00  0.00000e+00 0.00000e+00 4.76247e+02 114.168 2.98295e+02 114.168 0.7894 
1 1 1 3  2  2  o 3  6.10003e+02 3.81726e+00 4.00302e+02 136.710 -8.02929e+00 7.56389e+00  0.00000e+00 0.00000e+00 1.05486e+03 136.710 6.54563e+02 136.710 0.9535 
1 1 1 3  2  3  o 14 5.17299e+02 3.28621e+00 6.92384e+02 311.618 1.02343e+01  -1.15199e+01 0.00000e+00 0.00000e+00 5.58775e+02 311.618 1.33609e+02 131.618 0.9670 
1 1 1 3  2  4  o 3  5.91476e+02 3.71154e+00 4.16272e+02 28.318  8.74562e+00  4.71255e+00  0.00000e+00 0.00000e+00 9.86151e+02 28.318  5.69879e+02 28.318  0.9483 
1 1 1 3  2  5  o 17 1.40821e+02 1.71259e+00 3.39203e+02 125.033 -1.02653e+00 1.46425e+00  0.00000e+00 0.00000e+00 1.06985e+02 305.033 4.46188e+02 305.033 0.6597 
1 1 1 3  2  6  o 18 8.07221e+02 5.01025e+00 7.36801e+02 60.516  1.00729e+01  1.78154e+01  0.00000e+00 0.00000e+00 1.22997e+03 60.516  4.93172e+02 60.516  0.9753 
1 1 1 3  2  7  o 5  4.62873e+02 3.01441e+00 3.93192e+02 137.508 -8.48081e+00 7.76917e+00  0.00000e+00 0.00000e+00 7.11109e+02 137.508 3.17917e+02 137.508 0.9555 
1 1 1 3  2  8  o 8  1.79970e+02 1.76567e+00 8.61312e+01 10.598  8.79031e-01  1.64470e-01  0.00000e+00 0.00000e+00 9.69481e+01 10.598  1.08169e+01 10.598  0.4077 
1 1 1 3  2  9  o 1  3.45863e+02 2.37170e+00 3.40814e+02 209.159 -5.41698e+00 -3.02238e+00 0.00000e+00 0.00000e+00 4.48625e+02 209.159 1.07811e+02 209.159 0.9154 
1 1 1 3  2  10 o 9  1.56340e+02 1.74078e+00 2.40567e+02 31.002  1.55012e+00  9.31476e-01  0.00000e+00 0.00000e+00 1.79381e+01 31.002  2.22629e+02 211.002 0.6637 
1 1 1 3  2  11 o 17 5.76582e+02 3.76055e+00 7.95542e+02 186.813 -2.66365e+01 -3.18251e+00 0.00000e+00 0.00000e+00 6.12651e+02 186.813 1.82891e+02 6.813   0.9812 
1 1 1 3  2  12 o 18 2.35315e+02 1.89455e+00 3.98195e+02 266.805 -2.80472e-01 -5.02524e+00 0.00000e+00 0.00000e+00 1.25017e+02 266.805 2.73178e+02 86.805  0.8941 
1 1 1 3  2  13 o 18 4.89920e+02 3.15445e+00 5.00414e+02 4.878   1.20818e+01  1.03103e+00  0.00000e+00 0.00000e+00 6.65235e+02 4.878   1.64820e+02 4.878   0.9578 
1 1 1 3  2  14 o 13 1.10656e+03 6.74778e+00 1.36569e+03 166.332 -1.13826e+02 2.76813e+01  0.00000e+00 0.00000e+00 1.36807e+03 166.332 2.37906e+00 166.332 0.9957 
1 1 1 3  2  15 o 19 8.98240e+02 5.51322e+00 1.03050e+03 17.482  6.36281e+01  2.00404e+01  0.00000e+00 0.00000e+00 1.17861e+03 17.482  1.48111e+02 17.482  0.9925 
1 1 1 3  2  16 o 7  1.26240e+03 7.74519e+00 1.47497e+03 100.058 -3.29761e+01 1.85915e+02  0.00000e+00 0.00000e+00 1.64080e+03 100.058 1.65834e+02 100.058 0.9973 
1 1 1 3  2  17 o 7  3.90574e+02 2.66903e+00 4.08479e+02 17.405  1.45680e+01  4.56678e+00  0.00000e+00 0.00000e+00 5.24536e+02 17.405  1.16057e+02 17.405  0.9667 
1 1 1 3  2  18 o 2  4.75271e+02 3.20508e+00 5.92684e+02 323.801 2.73235e+01  -1.99968e+01 0.00000e+00 0.00000e+00 5.62575e+02 323.801 3.01092e+01 143.801 0.9851 
1 1 1 3  2  19 f 0  3.83891e+02 3.07088e+00 6.00318e+02 155.070 -2.37346e+01 1.10323e+01  0.00000e+00 0.00000e+00 3.27157e+02 155.070 2.73161e+02 335.070 0.9807 
1 1 1 3  2  20 o 12 2.21627e+02 2.16794e+00 2.94858e+02 256.749 -2.18625e+00 -9.28380e+00 0.00000e+00 0.00000e+00 2.20788e+02 256.749 7.40702e+01 76.749  0.9460 
1 1 1 3  2  21 o 14 2.36962e+02 2.58954e+00 2.54346e+02 304.691 4.77724e+00  -6.90159e+00 0.00000e+00 0.00000e+00 2.91563e+02 304.691 3.72172e+01 304.691 0.9384 
1 1 1 3  2  22 o 19 1.57436e+02 2.40829e+00 2.52427e+02 340.698 5.58778e+00  -1.95706e+00 0.00000e+00 0.00000e+00 9.90723e+01 340.698 1.53354e+02 160.698 0.9111 
1 1 1 3  2  23 o 10 1.23001e+02 2.30433e+00 7.61100e+01 268.664 -3.58924e-02 -1.53849e+00 0.00000e+00 0.00000e+00 1.06072e+02 268.664 2.99622e+01 268.664 0.6056 
1 1 1 3  2  24 o 17 2.05156e+02 2.27512e+00 2.82885e+02 26.044  8.24378e+00  4.02860e+00  0.00000e+00 0.00000e+00 1.89725e+02 26.044  9.31599e+01 206.044 0.9438 
1 1 1 3  2  25 o 2  9.68954e+01 2.84505e+00 1.08374e+02 166.539 -1.96301e+00 4.69865e-01  0.00000e+00 0.00000e+00 5.70109e+01 166.539 5.13631e+01 346.539 0.7008 
1 1 1 3  2  26 f 0  6.07467e+01 4.43041e+00 9.38384e+01 68.806  3.36764e-01  8.68520e-01  0.00000e+00 0.00000e+00 3.15971e+01 248.806 1.25435e+02 248.806 0.4216 
1 1 1 3  2  27 o 18 3.65287e+02 2.73541e+00 6.44262e+02 301.886 1.92458e+01  -3.09364e+01 0.00000e+00 0.00000e+00 2.29216e+02 301.886 4.15046e+02 121.886 0.9862 
1 1 1 3  2  28 o 18 4.12665e+02 3.13133e+00 5.82894e+02 19.035  3.39860e+01  1.17255e+01  0.00000e+00 0.00000e+00 4.01349e+02 19.035  1.81545e+02 199.035 0.9860 
1 1 1 3  2  29 o 13 2.89940e+02 2.52651e+00 3.65038e+02 36.619  1.46684e+01  1.09013e+01  0.00000e+00 0.00000e+00 3.15177e+02 36.619  4.98606e+01 216.619 0.9722 
1 1 1 3  2  30 o 19 3.25363e+02 2.77735e+00 4.49322e+02 284.636 6.04885e+00  -2.31614e+01 0.00000e+00 0.00000e+00 3.17257e+02 284.636 1.32065e+02 104.636 0.9789 
1 1 1 3  2  31 o 17 1.83742e+02 2.60622e+00 1.43253e+02 72.935  1.04500e+00  3.40418e+00  0.00000e+00 0.00000e+00 2.29122e+02 72.935  8.58694e+01 72.935  0.8442 
1 1 1 3  2  32 o 6  3.06832e+02 3.02653e+00 2.94602e+02 215.320 -1.17489e+01 -8.32471e+00 0.00000e+00 0.00000e+00 4.13986e+02 215.320 1.19384e+02 215.320 0.9646 
1 1 1 3  2  33 o 15 2.60731e+02 2.48618e+00 3.41678e+02 29.354  1.01139e+01  5.68815e+00  0.00000e+00 0.00000e+00 2.53321e+02 29.354  8.83563e+01 209.354 0.9559 
1 1 1 3  2  34 o 19 4.75412e+02 4.31086e+00 3.34496e+02 303.868 1.46617e+01  -2.18455e+01 0.00000e+00 0.00000e+00 7.75486e+02 303.868 4.40990e+02 303.868 0.9808 
1 1 1 3  2  35 o 7  2.03453e+02 2.71872e+00 2.07370e+02 6.429   6.40942e+00  7.22201e-01  0.00000e+00 0.00000e+00 2.36309e+02 6.429   2.89388e+01 6.429   0.9188 
1 1 1 3  2  36 o 16 4.02863e+02 3.28411e+00 3.79219e+02 320.603 2.14813e+01  -1.76433e+01 0.00000e+00 0.00000e+00 5.56703e+02 320.603 1.77484e+02 320.603 0.9818 
1 1 1 3  2  37 f 0  2.84038e+02 2.73472e+00 2.79004e+02 304.450 8.92933e+00  -1.30168e+01 0.00000e+00 0.00000e+00 3.69372e+02 304.450 9.03676e+01 304.450 0.9678 
1 1 1 3  2  38 o 17 6.53903e+02 4.86954e+00 6.96713e+02 163.531 -8.39983e+01 2.48316e+01  0.00000e+00 0.00000e+00 8.31860e+02 163.531 1.35147e+02 163.531 0.9943 
1 1 1 3  2  39 o 5  2.73281e+02 2.91586e+00 3.46699e+02 73.313  5.39994e+00  1.80135e+01  0.00000e+00 0.00000e+00 2.76409e+02 73.313  7.02900e+01 253.313 0.9730 
1 1 1 3  2  40 o 7  1.57315e+02 2.67947e+00 1.97658e+02 218.349 -5.55631e+00 -4.39579e+00 0.00000e+00 0.00000e+00 1.42707e+02 218.349 5.49511e+01 38.349  0.9265 
1 1 1 3  2  41 o 16 4.89102e+02 3.55280e+00 4.08800e+02 201.734 -4.65208e+01 -1.85449e+01 0.00000e+00 0.00000e+00 7.17999e+02 201.734 3.09199e+02 201.734 0.9900 
1 1 1 3  2  43 o 19 1.72908e+02 3.07104e+00 1.08240e+02 307.964 3.34814e+00  -4.29103e+00 0.00000e+00 0.00000e+00 2.52382e+02 307.964 1.44142e+02 307.964 0.9027 
1 1 1 3  2  44 o 13 2.52331e+02 2.71659e+00 2.64663e+02 191.565 -2.07864e+01 -4.25372e+00 0.00000e+00 0.00000e+00 3.02272e+02 191.565 3.76082e+01 191.565 0.9761 
1 1 1 3  2  46 o 15 2.07463e+02 2.75019e+00 1.06472e+02 22.290  7.71323e+00  3.16181e+00  0.00000e+00 0.00000e+00 3.37952e+02 22.290  2.31481e+02 22.290  0.9379 
1 1 1 3  2  47 o 18 3.57422e+01 8.06979e+00 1.31879e+02 238.674 -1.01142e+00 -1.66180e+00 0.00000e+00 0.00000e+00 7.58925e+01 58.674  2.07771e+02 58.674  0.6886 
1 1 1 3  2  48 o 8  1.72498e+02 2.91237e+00 2.18473e+02 150.149 -1.36262e+01 7.81994e+00  0.00000e+00 0.00000e+00 1.59664e+02 150.149 5.88084e+01 330.149 0.9676 
1 1 1 3  2  49 o 18 9.36658e+01 4.10979e+00 8.40496e+01 329.330 3.08026e+00  -1.82673e+00 0.00000e+00 0.00000e+00 9.45562e+01 329.330 1.05066e+01 329.330 0.8452 
1 1 1 3  2  50 o 8  3.64856e+02 3.15349e+00 4.01076e+02 92.158  -2.65290e+00 7.03988e+01  0.00000e+00 0.00000e+00 4.12690e+02 92.158  1.16147e+01 92.158  0.9929 
1 1 1 3  2  51 o 1  1.84574e+02 2.84762e+00 2.47181e+02 126.889 -1.74119e+01 2.32002e+01  0.00000e+00 0.00000e+00 1.58461e+02 126.889 8.87199e+01 306.888 0.9826 
1 1 1 3  2  52 o 14 1.52747e+02 3.04605e+00 1.46140e+02 14.718  1.42837e+01  3.75195e+00  0.00000e+00 0.00000e+00 1.82255e+02 14.718  3.61147e+01 14.718  0.9655 
1 1 1 3  2  53 o 13 1.54537e+02 2.99726e+00 1.47326e+02 84.819  1.49825e+00  1.65246e+01  0.00000e+00 0.00000e+00 1.84737e+02 84.819  3.74102e+01 84.819  0.9694 
1 1 1 3  2  54 o 7  8.60500e+01 4.35837e+00 6.11786e+01 272.693 1.68773e-01  -3.58783e+00 0.00000e+00 0.00000e+00 9.93996e+01 272.693 3.82210e+01 272.693 0.8458 
1 1 1 3  2  55 o 2  6.70132e+01 5.41525e+00 4.71246e+01 37.828  1.88685e+00  1.46507e+00  0.00000e+00 0.00000e+00 6.35953e+01 37.828  1.64707e+01 37.828  0.7523 
1 1 1 3  2  56 o 8  6.78564e+01 5.87189e+00 1.22900e+02 232.389 -4.69505e+00 -6.09433e+00 0.00000e+00 0.00000e+00 1.54012e+01 232.389 1.07499e+02 52.390  0.9325 
1 1 1 3  2  57 o 5  1.20445e+02 3.60235e+00 1.67166e+02 320.318 1.43291e+01  -1.18886e+01 0.00000e+00 0.00000e+00 8.76626e+01 320.318 7.95031e+01 140.318 0.9728 
1 1 1 3  2  58 o 10 1.35574e+02 3.22052e+00 1.46417e+02 8.404   2.29946e+01  3.39709e+00  0.00000e+00 0.00000e+00 1.40610e+02 8.404   5.80719e+00 188.404 0.9782 
1 1 1 3  2  59 o 17 8.78569e+01 4.16121e+00 6.82958e+01 45.596  5.53340e+00  5.64980e+00  0.00000e+00 0.00000e+00 1.08486e+02 45.596  4.01901e+01 45.596  0.9345 
1 1 1 3  2  60 o 8  1.18401e+02 3.77135e+00 7.90991e+01 46.317  8.59116e+00  8.99543e+00  0.00000e+00 0.00000e+00 1.64129e+02 46.317  8.50297e+01 46.317  0.9589 
1 1 1 3  2  61 o 13 1.25881e+02 3.36872e+00 9.76555e+01 217.634 -1.30225e+01 -1.00410e+01 0.00000e+00 0.00000e+00 1.62323e+02 217.634 6.46671e+01 217.634 0.9691 
1 1 1 3  2  62 o 3  1.71933e+02 3.01840e+00 1.98131e+02 172.923 -5.32763e+01 6.61449e+00  0.00000e+00 0.00000e+00 1.62930e+02 172.923 3.52011e+01 352.923 0.9906 
1 1 1 3  2  63 o 17 9.74824e+01 4.23967e+00 6.44053e+01 203.903 -8.65821e+00 -3.83733e+00 0.00000e+00 0.00000e+00 1.29956e+02 203.903 6.55511e+01 203.903 0.9456 
1 1 1 3  2  64 o 16 9.98591e+01 3.88452e+00 1.09113e+02 30.864  1.61019e+01  9.62289e+00  0.00000e+00 0.00000e+00 9.46240e+01 30.864  1.44890e+01 210.864 0.9730 
1 1 1 3  2  65 o 12 8.25838e+01 4.50604e+00 6.64702e+01 189.264 -1.01111e+01 -1.64917e+00 0.00000e+00 0.00000e+00 9.71070e+01 189.264 3.06368e+01 189.264 0.9499 
1 1 1 3  2  66 o 19 9.33419e+01 4.68477e+00 7.44249e+01 103.292 -3.38730e+00 1.43383e+01  0.00000e+00 0.00000e+00 1.12435e+02 103.292 3.80099e+01 103.292 0.9654 
1 1 1 3  2  67 o 3  7.12956e+01 5.63019e+00 6.96498e+01 141.249 -8.57678e+00 6.88372e+00  0.00000e+00 0.00000e+00 7.04877e+01 141.249 8.37887e-01 141.249 0.9534 
1 1 1 3  2  68 o 14 9.59377e+01 5.31823e+00 9.65846e+01 186.993 -2.34260e+01 -2.87361e+00 0.00000e+00 0.00000e+00 9.58473e+01 186.993 7.37346e-01 6.993   0.9786 
1 1 1 3  2  69 o 7  6.89818e+01 7.49343e+00 5.28114e+01 174.658 -9.41477e+00 8.80290e-01  0.00000e+00 0.00000e+00 8.00936e+01 174.658 2.72822e+01 174.658 0.9455 
1 1 1 3  3  0  o 1  1.43301e+02 4.19863e+00 2.74461e+02 180.000 -3.46975e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.54727e+02 0.000   4.29188e+02 0.000   0.3337 
1 1 1 3  3  1  o 19 3.81085e+02 3.64615e+00 3.40046e+02 90.000  -1.98402e-07 2.26945e+00  0.00000e+00 0.00000e+00 5.93960e+02 90.000  2.53914e+02 90.000  0.9789 
1 1 1 3  3  2  o 4  1.64835e+02 2.53105e+00 2.93568e+02 0.000   8.29428e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.28839e+01 180.000 3.06452e+02 180.000 0.6802 
1 1 1 3  3  3  o 8  1.06346e+02 4.79033e+00 2.65299e+02 90.000  -4.08174e-08 4.66897e-01  0.00000e+00 0.00000e+00 1.49327e+02 270.000 4.14626e+02 270.000 0.4357 
1 1 1 3  3  4  o 10 6.47288e+02 5.73521e+00 6.78754e+02 180.000 -1.39078e+01 0.00000e+00  0.00000e+00 0.00000e+00 9.40910e+02 180.000 2.62156e+02 180.000 1.0000 
1 1 1 3  3  5  o 19 7.89682e+02 7.95599e+00 1.08122e+03 270.000 0.00000e+00  -2.55211e+01 0.00000e+00 0.00000e+00 8.93982e+02 270.000 1.87236e+02 90.000  1.0000 
1 1 1 3  3  6  o 11 1.36025e+02 2.51848e+00 7.65346e+00 180.000 -2.92645e-02 0.00000e+00  0.00000e+00 0.00000e+00 2.29572e+00 180.000 5.35774e+00 0.000   0.0293 
1 1 1 3  3  7  o 9  1.14101e+03 9.84197e+00 1.25092e+03 270.000 -2.28700e-15 -3.73495e+01 0.00000e+00 0.00000e+00 1.60010e+03 270.000 3.49180e+02 270.000 1.0000 
1 1 1 3  3  8  o 17 8.95989e+02 7.79506e+00 9.61022e+02 0.000   2.09976e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.27631e+03 0.000   3.15292e+02 0.000   1.0000 
1 1 1 3  3  9  o 6  1.65669e+02 3.16138e+00 5.33270e+01 270.000 0.00000e+00  -2.00510e-01 0.00000e+00 0.00000e+00 2.84667e+01 270.000 2.48604e+01 90.000  0.1979 
1 1 1 3  3  10 o 17 3.64505e+02 4.04072e+00 5.58890e+02 0.000   5.70401e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.49868e+02 0.000   2.09023e+02 180.000 1.0000 
1 1 1 3  3  11 o 19 7.91608e+02 6.93071e+00 8.14720e+02 90.000  1.02602e-15  1.67561e+01  0.00000e+00 0.00000e+00 1.15712e+03 90.000  3.42396e+02 90.000  1.0000 
1 1 1 3  3  12 o 1  4.87036e+02 4.48258e+00 4.67979e+02 180.000 -5.51424e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.43949e+02 180.000 2.75970e+02 180.000 1.0000 
1 1 1 3  3  13 o 19 3.34516e+02 3.61206e+00 3.70243e+02 90.000  -4.15398e-07 4.75160e+00  0.00000e+00 0.00000e+00 4.61163e+02 90.000  9.09194e+01 90.000  0.9999 
1 1 1 3  3  14 o 2  5.27934e+02 5.14194e+00 5.13149e+02 180.000 -9.70560e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.97647e+02 180.000 2.84498e+02 180.000 1.0000 
1 1 1 3  3  15 o 10 6.51803e+01 4.50183e+00 5.93404e+01 270.000 1.72190e-08  -1.96962e-01 0.00000e+00 0.00000e+00 2.79103e+01 90.000  8.72507e+01 90.000  0.1945 
1 1 1 3  3  16 o 4  3.41691e+02 3.71720e+00 2.59011e+02 0.000   4.24399e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.86825e+02 0.000   3.27813e+02 0.000   0.9996 
1 1 1 3  3  17 o 11 7.31671e+01 6.30163e+00 8.86333e+01 90.000  -3.42118e-08 3.91337e-01  0.00000e+00 0.00000e+00 2.12318e+01 270.000 1.09865e+02 270.000 0.3725 
1 1 1 3  3  18 o 15 6.29009e+01 7.87399e+00 4.21228e+02 180.000 -1.51206e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.80310e+02 0.000   7.01538e+02 0.000   0.9073 
1 1 1 3  3  19 f 0  9.69116e+01 3.59551e+00 1.58760e+02 90.000  -9.90642e-08 1.13316e+00  0.00000e+00 0.00000e+00 3.52607e+01 90.000  1.23500e+02 270.000 0.8121 
1 1 1 3  3  20 o 8  3.33768e+02 4.74710e+00 4.09993e+02 0.000   9.62462e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.11453e+02 0.000   1.45936e+00 0.000   1.0000 
1 1 1 3  3  21 o 17 4.21358e+02 4.69368e+00 4.63598e+02 90.000  -1.28647e-06 1.47156e+01  0.00000e+00 0.00000e+00 5.71584e+02 90.000  1.07986e+02 90.000  1.0000 
1 1 1 3  3  22 o 7  4.49146e+02 4.25861e+00 5.16851e+02 0.000   1.67861e+01  0.00000e+00  0.00000e+00 0.00000e+00 5.84554e+02 0.000   6.77025e+01 0.000   1.0000 
1 1 1 3  3  23 f 0  1.26956e+02 3.18958e+00 2.95910e+02 90.000  0.00000e+00  3.00956e+00  0.00000e+00 0.00000e+00 1.33019e+01 90.000  2.82608e+02 270.000 0.9951 
1 1 1 3  3  24 o 14 2.04050e+02 3.10180e+00 2.17529e+02 180.000 -4.33245e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.80692e+02 180.000 6.31626e+01 180.000 0.9997 
1 1 1 3  3  25 o 16 1.81882e+02 3.37552e+00 1.37346e+02 270.000 0.00000e+00  -2.07590e+00 0.00000e+00 0.00000e+00 2.92230e+02 270.000 1.54885e+02 270.000 0.9690 
1 1 1 3  3  26 o 10 1.27983e+02 3.84023e+00 8.41330e+01 180.000 -8.65613e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.33477e+02 180.000 4.93442e+01 180.000 0.6991 
1 1 1 3  3  27 o 9  9.01936e+01 4.50583e+00 3.39326e+01 270.000 2.03097e-08  -2.32316e-01 0.00000e+00 0.00000e+00 1.60144e+01 270.000 1.79183e+01 90.000  0.2282 
1 1 1 3  3  28 o 18 1.97621e+02 3.79253e+00 2.13272e+02 0.000   3.70190e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.64525e+02 0.000   5.12532e+01 0.000   0.9988 
1 1 1 3  3  29 o 4  5.70259e+01 6.49356e+00 2.76760e+02 270.000 -8.04694e-17 -1.31416e+00 0.00000e+00 0.00000e+00 1.57602e+02 90.000  4.34362e+02 90.000  0.8653 
1 1 1 3  3  30 o 3  2.92322e+01 1.20241e+01 1.15656e+01 180.000 -2.30819e-02 0.00000e+00  0.00000e+00 0.00000e+00 9.94067e+00 0.000   2.15062e+01 0.000   0.0231 
1 1 1 3  3  31 o 7  4.92071e+01 7.11593e+00 2.92240e+01 90.000  0.00000e+00  1.16498e-01  0.00000e+00 0.00000e+00 1.55149e+01 270.000 4.47390e+01 270.000 0.1160 
1 1 1 3  3  32 o 3  9.79186e+01 4.03335e+00 1.03679e+02 0.000   7.95029e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.14434e+01 0.000   5.22353e+01 180.000 0.6612 
1 1 1 3  3  33 o 12 4.28375e+02 4.37545e+00 3.93283e+02 270.000 -6.59594e-16 -1.07720e+01 0.00000e+00 0.00000e+00 6.30127e+02 270.000 2.36844e+02 270.000 1.0000 
1 1 1 3  3  34 o 2  2.91377e+02 4.15142e+00 3.13665e+02 0.000   7.43761e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.80441e+02 0.000   6.67765e+01 0.000   1.0000 
1 1 1 3  3  35 o 7  8.79606e+02 8.22647e+00 7.47627e+02 90.000  3.01000e-15  4.91570e+01  0.00000e+00 0.00000e+00 1.34151e+03 90.000  5.93880e+02 90.000  1.0000 
1 1 1 3  3  36 o 17 1.06002e+02 3.89963e+00 1.25615e+02 0.000   1.35646e+00  0.00000e+00  0.00000e+00 0.00000e+00 9.41471e+01 0.000   3.14680e+01 180.000 0.8756 
1 1 1 3  3  37 o 7  5.37745e+02 5.72929e+00 7.69107e+02 90.000  2.49996e-15  4.08274e+01  0.00000e+00 0.00000e+00 5.00171e+02 90.000  2.68936e+02 270.000 1.0000 
1 1 1 3  3  38 o 13 1.14774e+02 3.70209e+00 4.44472e+01 0.000   5.18892e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.43165e+01 0.000   3.98693e+01 0.000   0.4768 
1 1 1 3  3  40 o 7  3.67592e+01 1.15429e+01 3.56252e+00 0.000   1.44812e-02  0.00000e+00  0.00000e+00 0.00000e+00 2.31859e+00 180.000 5.88111e+00 180.000 0.0145 
1 1 1 3  3  41 o 1  1.69047e+02 3.56002e+00 3.18417e+02 90.000  -5.82531e-07 6.66337e+00  0.00000e+00 0.00000e+00 7.52617e+01 90.000  2.43155e+02 270.000 1.0000 
1 1 1 3  3  42 o 1  3.69810e+02 1.03071e+01 3.43547e+02 0.000   1.58790e+01  0.00000e+00  0.00000e+00 0.00000e+00 5.14594e+02 0.000   1.71047e+02 0.000   1.0000 
1 1 1 3  3  43 o 12 2.25395e+02 3.55838e+00 3.48444e+02 90.000  8.16888e-16  1.33408e+01  0.00000e+00 0.00000e+00 1.72668e+02 90.000  1.75776e+02 270.000 1.0000 
1 1 1 3  3  44 o 12 4.56512e+02 5.54570e+00 3.30559e+02 180.000 -2.36205e+01 0.00000e+00  0.00000e+00 0.00000e+00 7.20943e+02 180.000 3.90384e+02 180.000 1.0000 
1 1 1 3  3  46 o 5  1.44877e+02 3.54001e+00 1.80679e+02 180.000 -5.67601e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.50433e+02 180.000 3.02462e+01 0.000   1.0000 
1 1 1 3  3  47 o 7  2.95650e+02 4.28204e+00 3.38608e+02 270.000 -1.28578e-15 -2.09984e+01 0.00000e+00 0.00000e+00 3.34400e+02 270.000 4.20777e+00 90.000  1.0000 
1 1 1 3  3  48 o 4  2.09593e+02 4.63398e+00 2.04322e+02 0.000   1.00130e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.70838e+02 0.000   6.65160e+01 0.000   1.0000 
1 1 1 3  3  49 o 14 3.64925e+01 1.48776e+01 4.76829e+01 90.000  2.64575e-17  4.32084e-01  0.00000e+00 0.00000e+00 1.41469e+01 270.000 6.18298e+01 270.000 0.4071 
1 1 1 3  3  50 o 3  4.85447e+01 1.30930e+01 1.01110e+02 0.000   1.12484e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.27997e+01 180.000 1.13910e+02 180.000 0.8092 
1 1 1 3  3  51 o 5  2.74798e+02 4.45258e+00 2.12061e+02 90.000  1.18262e-15  1.93137e+01  0.00000e+00 0.00000e+00 4.02993e+02 90.000  1.90931e+02 90.000  1.0000 
1 1 1 3  3  52 o 18 1.88744e+01 1.24309e+01 5.93407e+01 0.000   3.50097e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.51899e+01 180.000 1.04531e+02 180.000 0.3365 
1 1 1 3  3  53 o 16 4.29484e+02 5.24704e+00 4.68613e+02 270.000 -4.43770e-15 -7.24732e+01 0.00000e+00 0.00000e+00 4.84073e+02 270.000 1.54600e+01 270.000 1.0000 
1 1 1 3  3  54 o 17 2.41764e+01 1.43664e+01 4.37836e+01 0.000   4.25390e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.23531e+01 180.000 6.61367e+01 180.000 0.4015 
1 1 1 3  3  55 o 4  1.07075e+02 6.09890e+00 8.54501e+01 90.000  2.12211e-16  3.46567e+00  0.00000e+00 0.00000e+00 1.49403e+02 90.000  6.39529e+01 90.000  0.9980 
1 1 1 3  3  56 o 8  9.66094e+01 6.86222e+00 8.93003e+01 0.000   4.19334e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.21902e+02 0.000   3.26015e+01 0.000   0.9995 
1 1 1 3  3  57 o 8  8.36753e+01 7.77302e+00 5.47587e+01 90.000  -2.16543e-07 2.47697e+00  0.00000e+00 0.00000e+00 1.24809e+02 90.000  7.00503e+01 90.000  0.9860 
1 1 1 3  3  58 o 13 5.23108e+01 1.97597e+01 8.37213e+01 180.000 -2.06608e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.59913e+01 180.000 5.77300e+01 0.000   0.9684 
1 1 1 3  3  59 o 19 3.27524e+01 1.63406e+01 5.63489e+01 270.000 -6.35707e-17 -1.03819e+00 0.00000e+00 0.00000e+00 1.49932e+00 90.000  5.78482e+01 90.000  0.7772 
1 1 1 3  3  60 o 12 1.39772e+02 6.14277e+00 7.80300e+01 180.000 -6.87202e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.21612e+02 180.000 1.43582e+02 180.000 1.0000 
1 1 1 3  3  61 o 16 3.96875e+01 1.57444e+01 1.67279e+01 270.000 3.47481e-08  -3.97471e-01 0.00000e+00 0.00000e+00 1.52473e+01 270.000 1.48066e+00 90.000  0.3778 
1 1 1 3  3  62 o 18 1.95277e+02 4.70367e+00 2.04653e+02 0.000   3.12039e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.09599e+02 0.000   4.94558e+00 0.000   1.0000 
1 1 1 3  3  63 o 4  2.88054e+01 1.55678e+01 4.31112e+01 90.000  4.90119e-17  8.00425e-01  0.00000e+00 0.00000e+00 2.73805e+00 270.000 4.58492e+01 270.000 0.6643 
1 1 1 3  3  64 o 6  1.42344e+02 6.32209e+00 1.26419e+02 180.000 -1.52683e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.72279e+02 180.000 4.58597e+01 180.000 1.0000 
1 1 1 3  3  65 o 10 2.63417e+01 1.52605e+01 3.84883e+01 90.000  -6.93536e-08 7.93313e-01  0.00000e+00 0.00000e+00 2.19320e+00 270.000 4.06815e+01 270.000 0.6603 
1 1 1 3  3  66 o 19 2.67528e+01 1.55563e+01 4.17393e+01 180.000 -9.68061e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.24281e-01 0.000   4.19636e+01 0.000   0.7479 
1 1 1 3  3  67 o 4  2.90068e+01 1.61188e+01 1.98519e+01 90.000  3.17618e-17  5.18710e-01  0.00000e+00 0.00000e+00 8.67655e+00 90.000  1.11753e+01 270.000 0.4767 
1 1 1 3  3  68 o 9  2.01873e+01 1.34180e+01 2.07290e+00 180.000 -4.57057e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.81662e-01 0.000   2.25456e+00 0.000   0.0457 
1 1 1 3  3  69 o 12 1.87556e+01 1.29841e+01 4.70886e+01 90.000  -9.28822e-08 1.06245e+00  0.00000e+00 0.00000e+00 1.70059e+01 270.000 6.40945e+01 270.000 0.7866 
1 1 1 4  0  0  o 15 7.42415e+02 9.20852e+00 3.55640e+02 0.000   2.58053e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.48161e+03 0.000   1.12597e+03 0.000   0.9886 
1 1 1 4  0  1  o 17 4.18020e+02 3.91460e+00 5.85378e+02 225.000 -3.35616e+00 -3.35616e+00 0.00000e+00 0.00000e+00 4.60827e+02 225.000 1.24552e+02 45.000  0.9998 
1 1 1 4  0  2  o 11 5.13434e+02 4.65806e+00 2.49970e+02 270.000 2.12296e-07  -2.42838e+00 0.00000e+00 0.00000e+00 1.01523e+03 270.000 7.65261e+02 270.000 0.9846 
1 1 1 4  0  3  o 17 5.35842e+02 4.83419e+00 6.01816e+02 135.000 -4.14738e+00 4.14738e+00  0.00000e+00 0.00000e+00 7.38987e+02 135.000 1.37171e+02 135.000 1.0000 
1 1 1 4  0  4  o 19 4.79344e+02 4.38650e+00 6.47403e+02 180.000 -5.35832e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.51633e+02 180.000 9.57695e+01 0.000   1.0000 
1 1 1 4  0  5  o 16 1.66349e+02 2.53920e+00 5.01296e+02 45.000  9.57034e-01  9.57034e-01  0.00000e+00 0.00000e+00 1.37383e+02 225.000 6.38680e+02 225.000 0.8749 
1 1 1 4  0  6  o 15 1.87981e+02 2.56924e+00 1.28335e+02 270.000 6.39635e-08  -7.31657e-01 0.00000e+00 0.00000e+00 1.64877e+02 270.000 3.65427e+01 270.000 0.6241 
1 1 1 4  0  7  o 14 2.57172e+02 2.86855e+00 2.25186e+02 135.000 -1.15122e+00 1.15122e+00  0.00000e+00 0.00000e+00 3.69543e+02 135.000 1.44357e+02 135.000 0.9258 
1 1 1 4  0  8  o 10 4.70245e+02 4.33610e+00 6.86157e+02 0.000   8.38111e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.87738e+02 0.000   1.98419e+02 180.000 1.0000 
1 1 1 4  0  9  o 17 8.50826e+01 4.56698e+00 1.45184e+02 45.000  2.09452e-01  2.09452e-01  0.00000e+00 0.00000e+00 8.40931e+01 225.000 2.29278e+02 225.000 0.2878 
1 1 1 4  0  10 o 2  7.91061e+02 6.91991e+00 1.00771e+03 90.000  0.00000e+00  2.34375e+01  0.00000e+00 0.00000e+00 9.63989e+02 90.000  4.37195e+01 270.000 1.0000 
1 1 1 4  0  11 o 7  7.06148e+02 6.22407e+00 8.52647e+02 315.000 1.15677e+01  -1.15677e+01 0.00000e+00 0.00000e+00 9.05814e+02 315.000 5.31677e+01 315.000 1.0000 
1 1 1 4  0  12 f 0  1.52017e+02 3.06533e+00 1.93979e+02 0.000   7.42421e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.45033e+01 0.000   1.49475e+02 180.000 0.6306 
1 1 1 4  0  13 o 7  8.37130e+02 7.30311e+00 9.69977e+02 45.000  2.27742e+01  2.27742e+01  0.00000e+00 0.00000e+00 1.11035e+03 45.000  1.40370e+02 45.000  1.0000 
1 1 1 4  0  14 o 6  3.02781e+02 3.65594e+00 5.92085e+02 270.000 5.79680e-07  -6.63077e+00 0.00000e+00 0.00000e+00 1.59466e+02 270.000 4.32619e+02 90.000  1.0000 
1 1 1 4  0  15 o 17 2.80445e+02 3.78928e+00 1.60702e+02 135.000 -1.10058e+00 1.10058e+00  0.00000e+00 0.00000e+00 4.75338e+02 135.000 3.14636e+02 135.000 0.9148 
1 1 1 4  0  16 o 11 2.20624e+02 3.15043e+00 2.71177e+02 0.000   2.93938e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.71984e+02 0.000   8.06851e-01 0.000   0.9944 
1 1 1 4  0  17 o 19 5.00781e+02 4.89780e+00 5.84034e+02 225.000 -9.56085e+00 -9.56085e+00 0.00000e+00 0.00000e+00 6.54015e+02 225.000 6.99803e+01 225.000 1.0000 
1 1 1 4  0  18 o 13 1.23034e+02 3.66246e+00 1.73273e+02 90.000  7.61771e-17  1.24407e+00  0.00000e+00 0.00000e+00 8.38515e+01 90.000  8.94220e+01 270.000 0.8466 
1 1 1 4  0  19 o 18 4.11863e+02 4.23580e+00 5.34988e+02 135.000 -8.61735e+00 8.61735e+00  0.00000e+00 0.00000e+00 4.80076e+02 135.000 5.49115e+01 315.000 1.0000 
1 1 1 4  0  20 o 7  6.77615e+02 6.01530e+00 9.53082e+02 180.000 -4.59995e+01 0.00000e+00  0.00000e+00 0.00000e+00 7.14140e+02 180.000 2.38942e+02 0.000   1.0000 
1 1 1 4  0  21 o 2  2.55770e+01 1.07071e+01 4.81140e+01 45.000  6.58272e-02  6.58272e-02  0.00000e+00 0.00000e+00 4.22827e+01 225.000 9.03967e+01 225.000 0.0928 
1 1 1 4  0  22 o 16 1.50600e+02 2.76934e+00 3.92888e+02 90.000  -3.78648e-07 4.33122e+00  0.00000e+00 0.00000e+00 2.38164e+01 270.000 4.16705e+02 270.000 0.9997 
1 1 1 4  0  23 o 6  1.03731e+02 3.28545e+00 2.70151e+01 315.000 1.60328e-01  -1.60328e-01 0.00000e+00 0.00000e+00 2.95664e+01 315.000 2.55128e+00 315.000 0.2229 
1 1 1 4  0  24 o 16 4.11137e+01 8.25005e+00 6.33109e+01 180.000 -2.54777e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.82727e+01 0.000   1.01584e+02 0.000   0.2494 
1 1 1 4  0  25 o 6  4.96340e+02 5.82375e+00 6.57234e+02 225.000 -2.18237e+01 -2.18237e+01 0.00000e+00 0.00000e+00 5.52178e+02 225.000 1.05056e+02 45.000  1.0000 
1 1 1 4  0  26 o 11 4.06812e+02 4.60021e+00 3.47322e+02 90.000  -9.99667e-07 1.14349e+01  0.00000e+00 0.00000e+00 6.41763e+02 90.000  2.94441e+02 90.000  1.0000 
1 1 1 4  0  27 o 5  3.56149e+02 5.26277e+00 4.47661e+02 315.000 8.61604e+00  -8.61604e+00 0.00000e+00 0.00000e+00 4.16269e+02 315.000 3.13922e+01 135.000 1.0000 
1 1 1 4  0  28 o 2  3.42178e+02 5.16800e+00 2.16848e+02 180.000 -6.55904e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.11220e+02 180.000 3.94372e+02 180.000 1.0000 
1 1 1 4  0  29 o 14 4.44504e+02 6.12759e+00 3.47318e+02 45.000  9.16875e+00  9.16875e+00  0.00000e+00 0.00000e+00 7.25742e+02 45.000  3.78424e+02 45.000  1.0000 
1 1 1 4  0  30 o 13 6.13967e+02 7.92762e+00 9.74189e+02 270.000 -2.95012e-15 -4.81791e+01 0.00000e+00 0.00000e+00 5.04198e+02 270.000 4.69990e+02 90.000  1.0000 
1 1 1 4  0  31 o 10 3.39502e+02 4.25063e+00 7.04801e+02 315.000 1.13148e+01  -1.13148e+01 0.00000e+00 0.00000e+00 1.10547e+02 315.000 5.94255e+02 135.000 1.0000 
1 1 1 4  0  32 o 12 5.69333e+02 6.08352e+00 4.85404e+02 180.000 -2.17467e+01 0.00000e+00  0.00000e+00 0.00000e+00 8.78194e+02 180.000 3.92790e+02 180.000 1.0000 
1 1 1 4  0  33 o 19 4.84455e+02 5.36425e+00 4.35580e+02 45.000  9.60133e+00  9.60133e+00  0.00000e+00 0.00000e+00 7.21480e+02 45.000  2.85900e+02 45.000  1.0000 
1 1 1 4  0  34 o 1  2.96444e+02 4.53636e+00 3.54626e+02 270.000 -5.27505e-16 -8.61482e+00 0.00000e+00 0.00000e+00 3.51350e+02 270.000 3.27623e+00 90.000  1.0000 
1 1 1 4  0  35 o 14 2.77880e+02 5.17246e+00 4.20640e+02 135.000 -6.24432e+00 6.24432e+00  0.00000e+00 0.00000e+00 2.39160e+02 135.000 1.81480e+02 315.000 1.0000 
1 1 1 4  0  36 o 10 2.65750e+01 1.41350e+01 1.61302e+02 0.000   3.78833e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.38549e+02 180.000 2.99852e+02 180.000 0.3617 
1 1 1 4  0  37 o 7  1.52143e+02 4.83574e+00 3.55524e+01 45.000  3.77254e-01  3.77254e-01  0.00000e+00 0.00000e+00 1.39669e+02 45.000  1.04117e+02 45.000  0.4881 
1 1 1 4  0  38 o 2  7.74471e+01 7.24102e+00 6.15513e+00 90.000  -4.24408e-09 4.85466e-02  0.00000e+00 0.00000e+00 2.68126e+00 90.000  3.47387e+00 270.000 0.0485 
1 1 1 4  0  39 o 12 2.87027e+02 5.13723e+00 4.84539e+02 135.000 -1.07524e+01 1.07524e+01  0.00000e+00 0.00000e+00 1.88333e+02 135.000 2.96207e+02 315.000 1.0000 
1 1 1 4  0  40 o 16 1.00614e+02 6.16937e+00 2.71820e+01 180.000 -3.07935e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.29983e+01 180.000 1.58163e+01 180.000 0.2986 
1 1 1 4  0  41 o 10 6.68561e+02 7.05709e+00 7.54168e+02 45.000  4.41345e+01  4.41345e+01  0.00000e+00 0.00000e+00 8.02344e+02 45.000  4.81761e+01 45.000  1.0000 
1 1 1 4  0  43 o 12 1.52827e+01 1.08805e+01 4.02336e+01 315.000 7.26906e-02  -7.26906e-02 0.00000e+00 0.00000e+00 3.66150e+01 135.000 7.68486e+01 135.000 0.1024 
1 1 1 4  0  44 o 14 4.25209e+02 5.60194e+00 4.34287e+02 180.000 -2.90379e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.44835e+02 180.000 1.10548e+02 180.000 1.0000 
1 1 1 4  0  46 o 17 1.42576e+02 6.64197e+00 6.46036e+01 270.000 1.73929e-07  -1.98951e+00 0.00000e+00 0.00000e+00 2.49202e+02 270.000 1.84599e+02 270.000 0.9633 
1 1 1 4  0  47 o 10 3.65402e+01 1.81949e+01 1.38330e+02 135.000 -7.00292e-01 7.00292e-01  0.00000e+00 0.00000e+00 7.53382e+01 315.000 2.13668e+02 315.000 0.7575 
1 1 1 4  0  48 o 13 2.36161e+02 5.61806e+00 2.63192e+02 0.000   1.28336e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.72047e+02 0.000   8.85445e+00 0.000   1.0000 
1 1 1 4  0  49 o 9  1.54499e+02 6.62388e+00 1.17099e+02 225.000 -3.35501e+00 -3.35501e+00 0.00000e+00 0.00000e+00 2.31545e+02 225.000 1.14446e+02 225.000 0.9998 
1 1 1 4  0  50 o 7  3.39765e+02 5.91800e+00 3.17618e+02 90.000  -2.24908e-06 2.57265e+01  0.00000e+00 0.00000e+00 4.45948e+02 90.000  1.28330e+02 90.000  1.0000 
1 1 1 4  0  51 o 15 3.25318e+02 5.85062e+00 2.83287e+02 315.000 2.15558e+01  -2.15558e+01 0.00000e+00 0.00000e+00 4.44635e+02 315.000 1.61348e+02 315.000 1.0000 
1 1 1 4  0  52 o 12 2.31534e+01 1.50946e+01 2.36412e+01 0.000   1.67345e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.50896e+01 180.000 3.87308e+01 180.000 0.1658 
1 1 1 4  0  53 o 8  6.97001e+01 1.29733e+01 7.37757e+01 225.000 -1.24341e+00 -1.24341e+00 0.00000e+00 0.00000e+00 7.18759e+01 225.000 1.89987e+00 45.000  0.9423 
1 1 1 4  0  54 o 4  1.96751e+02 6.06827e+00 2.08278e+02 270.000 0.00000e+00  -1.39203e+01 0.00000e+00 0.00000e+00 2.26024e+02 270.000 1.77458e+01 270.000 1.0000 
1 1 1 4  0  55 o 19 1.32248e+02 7.21595e+00 1.94036e+02 135.000 -6.85099e+00 6.85099e+00  0.00000e+00 0.00000e+00 9.65148e+01 135.000 9.75210e+01 315.000 1.0000 
1 1 1 4  0  56 o 19 2.23646e+01 1.51533e+01 4.32158e+00 180.000 -4.29354e-02 0.00000e+00  0.00000e+00 0.00000e+00 2.22330e+00 0.000   6.54488e+00 0.000   0.0429 
1 1 1 4  0  57 o 3  2.53565e+02 5.79419e+00 2.69284e+02 45.000  2.21442e+01  2.21442e+01  0.00000e+00 0.00000e+00 2.82444e+02 45.000  1.31602e+01 45.000  1.0000 
1 1 1 4  0  58 o 10 1.44243e+02 5.95403e+00 7.68330e+01 270.000 5.59800e-07  -6.40337e+00 0.00000e+00 0.00000e+00 2.35468e+02 270.000 1.58635e+02 270.000 1.0000 
1 1 1 4  0  59 o 11 1.76979e+01 1.20453e+01 3.15860e+01 315.000 2.40677e-01  -2.40677e-01 0.00000e+00 0.00000e+00 1.90883e+01 135.000 5.06743e+01 135.000 0.3278 
1 1 1 4  0  60 o 13 2.41488e+01 1.45346e+01 3.03847e+01 0.000   4.14775e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.00696e+01 180.000 4.04542e+01 180.000 0.3925 
1 1 1 4  0  61 o 7  1.31097e+02 5.79471e+00 5.69269e+01 45.000  3.48951e+00  3.48951e+00  0.00000e+00 0.00000e+00 2.22548e+02 45.000  1.65621e+02 45.000  0.9999 
1 1 1 4  0  62 o 9  7.07857e+01 9.41385e+00 3.01258e+01 270.000 0.00000e+00  -1.58168e+00 0.00000e+00 0.00000e+00 1.07813e+02 270.000 7.76869e+01 270.000 0.9189 
1 1 1 4  0  63 o 2  2.97121e+02 5.08406e+00 2.82676e+02 135.000 -4.49941e+01 4.49941e+01  0.00000e+00 0.00000e+00 3.44054e+02 135.000 6.13787e+01 135.000 1.0000 
1 1 1 4  0  64 o 12 1.86453e+01 1.25000e+01 1.13165e+01 0.000   1.62567e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.01320e+00 180.000 1.63297e+01 180.000 0.1612 
1 1 1 4  0  65 o 3  2.30059e+01 1.43906e+01 3.46745e+01 225.000 -4.51715e-01 -4.51715e-01 0.00000e+00 0.00000e+00 7.60103e+00 45.000  4.22756e+01 45.000  0.5641 
1 1 1 4  0  66 o 10 1.42830e+02 7.08654e+00 9.57691e+01 270.000 0.00000e+00  -1.43600e+01 0.00000e+00 0.00000e+00 2.00520e+02 270.000 1.04751e+02 270.000 1.0000 
1 1 1 4  0  67 o 7  7.68425e+01 9.93445e+00 4.52591e+01 315.000 2.61023e+00  -2.61023e+00 0.00000e+00 0.00000e+00 1.13036e+02 315.000 6.77767e+01 315.000 0.9988 
1 1 1 4  0  68 o 10 3.04409e+01 1.66950e+01 8.94426e+01 180.000 -2.68191e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.76030e+01 0.000   1.17046e+02 0.000   0.9907 
1 1 1 4  0  69 o 18 2.25376e+01 1.44770e+01 2.47032e+01 45.000  4.51630e-01  4.51630e-01  0.00000e+00 0.00000e+00 1.20922e+00 45.000  2.34940e+01 225.000 0.5640 
1 1 1 4  1  0  o 11 4.00725e+02 3.79576e+00 3.06620e+02 180.000 -2.27856e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.75802e+02 180.000 3.69182e+02 180.000 0.9792 
1 1 1 4  1  1  o 2  5.08069e+02 3.26887e+00 4.12056e+02 153.362 -6.88515e+00 3.45347e+00  0.00000e+00 0.00000e+00 7.74198e+02 153.362 3.62142e+02 153.362 0.9326 
1 1 1 4  1  2  o 1  2.51921e+02 1.99580e+00 1.22779e+02 39.212  8.61901e-01  7.03262e-01  0.00000e+00 0.00000e+00 1.82940e+02 39.212  6.01615e+01 39.212  0.4848 
1 1 1 4  1  3  o 7  2.20794e+02 1.89482e+00 2.16007e+02 306.372 9.80268e-01  -1.33096e+00 0.00000e+00 0.00000e+00 1.33072e+02 306.372 8.29352e+01 126.372 0.6317 
1 1 1 4  1  4  o 5  5.01120e+02 3.23448e+00 6.11569e+02 284.745 2.57359e+00  -9.77840e+00 0.00000e+00 0.00000e+00 5.78460e+02 284.745 3.31091e+01 104.745 0.9492 
1 1 1 4  1  5  o 6  3.58067e+02 2.65165e+00 4.36336e+02 85.374  7.85767e-01  9.71108e+00  0.00000e+00 0.00000e+00 4.11874e+02 85.374  2.44614e+01 265.374 0.9472 
1 1 1 4  1  6  f 0  6.11781e+02 3.88676e+00 6.68896e+02 152.037 -2.10680e+01 1.11844e+01  0.00000e+00 0.00000e+00 8.27975e+02 152.037 1.59079e+02 152.037 0.9788 
1 1 1 4  1  7  o 13 4.73045e+02 3.11132e+00 4.49428e+02 206.436 -1.03292e+01 -5.13549e+00 0.00000e+00 0.00000e+00 6.79940e+02 206.436 2.30512e+02 206.436 0.9556 
1 1 1 4  1  8  o 4  6.45966e+02 4.08702e+00 7.49863e+02 142.574 -1.93526e+01 1.48100e+01  0.00000e+00 0.00000e+00 8.29476e+02 142.574 7.96129e+01 142.574 0.9793 
1 1 1 4  1  9  o 10 4.94026e+02 3.23141e+00 5.41948e+02 220.533 -9.48736e+00 -8.11240e+00 0.00000e+00 0.00000e+00 6.40133e+02 220.533 9.81850e+01 220.533 0.9591 
1 1 1 4  1  10 o 13 9.97197e+02 6.10626e+00 1.15554e+03 245.466 -2.74021e+01 -6.00346e+01 0.00000e+00 0.00000e+00 1.31139e+03 245.466 1.55851e+02 245.466 0.9924 
1 1 1 4  1  11 f 0  1.25616e+02 2.09624e+00 1.83124e+02 358.786 1.22300e+00  -2.59104e-02 0.00000e+00 0.00000e+00 2.04617e+01 178.786 2.03586e+02 178.786 0.5199 
1 1 1 4  1  12 o 10 5.54766e+02 3.54160e+00 6.43529e+02 328.776 1.50599e+01  -9.12904e+00 0.00000e+00 0.00000e+00 6.97005e+02 328.776 5.34759e+01 328.776 0.9712 
1 1 1 4  1  13 f 0  6.08582e+02 3.97781e+00 7.33888e+02 166.714 -3.39071e+01 8.00638e+00  0.00000e+00 0.00000e+00 7.56826e+02 166.714 2.29379e+01 166.714 0.9855 
1 1 1 4  1  14 o 14 5.08827e+02 3.51286e+00 5.16117e+02 341.572 1.81309e+01  -6.04130e+00 0.00000e+00 0.00000e+00 7.13553e+02 341.572 1.97436e+02 341.572 0.9735 
1 1 1 4  1  15 o 2  3.86542e+02 2.95467e+00 4.06534e+02 59.974  8.11794e+00  1.40459e+01  0.00000e+00 0.00000e+00 5.21841e+02 59.974  1.15307e+02 59.974  0.9687 
1 1 1 4  1  16 o 9  9.42639e+01 3.22030e+00 2.51134e+02 228.477 -1.52241e+00 -1.71937e+00 0.00000e+00 0.00000e+00 7.81954e+01 48.477  3.29329e+02 48.477  0.7409 
1 1 1 4  1  17 o 18 7.57633e+02 5.03841e+00 9.23994e+02 283.797 1.52485e+01  -6.20945e+01 0.00000e+00 0.00000e+00 9.34611e+02 283.797 1.06166e+01 283.797 0.9921 
1 1 1 4  1  18 o 18 3.59602e+02 2.83739e+00 3.83357e+02 109.568 -5.33667e+00 1.50132e+01  0.00000e+00 0.00000e+00 4.76120e+02 109.568 9.27628e+01 109.568 0.9681 
1 1 1 4  1  19 o 8  1.14527e+02 2.36743e+00 1.95191e+02 191.920 -3.24756e+00 -6.85552e-01 0.00000e+00 0.00000e+00 3.94181e+01 191.920 1.55773e+02 11.920  0.8311 
1 1 1 4  1  20 o 5  6.19584e+02 4.37606e+00 6.16423e+02 333.777 4.84589e+01  -2.38689e+01 0.00000e+00 0.00000e+00 8.94055e+02 333.777 2.77632e+02 333.777 0.9907 
1 1 1 4  1  21 o 10 6.49218e+02 4.24920e+00 1.09763e+03 2.110   1.07833e+02  3.97368e+00  0.00000e+00 0.00000e+00 4.89721e+02 2.110   6.07906e+02 182.110 0.9954 
1 1 1 4  1  22 o 7  1.86831e+02 2.07022e+00 1.36081e+02 52.080  2.27426e+00  2.91934e+00  0.00000e+00 0.00000e+00 2.53722e+02 52.080  1.17641e+02 52.080  0.8509 
1 1 1 4  1  23 o 15 1.75712e+02 2.20593e+00 1.76579e+02 292.756 1.93256e+00  -4.60723e+00 0.00000e+00 0.00000e+00 2.07526e+02 292.756 3.09466e+01 292.756 0.8933 
1 1 1 4  1  24 o 4  1.53007e+02 1.94329e+00 1.04108e+02 186.458 -3.10571e+00 -3.51549e-01 0.00000e+00 0.00000e+00 2.01872e+02 186.458 9.77646e+01 186.458 0.8189 
1 1 1 4  1  25 o 3  2.33952e+02 2.50850e+00 2.23627e+02 66.552  3.93158e+00  9.06450e+00  0.00000e+00 0.00000e+00 3.16844e+02 66.552  9.32177e+01 66.552  0.9480 
1 1 1 4  1  26 o 14 3.14197e+01 7.30963e+00 1.36364e+02 336.106 6.26458e-01  -2.77529e-01 0.00000e+00 0.00000e+00 1.11614e+02 156.106 2.47979e+02 156.106 0.3239 
1 1 1 4  1  27 o 5  3.27445e+02 2.86510e+00 2.91988e+02 74.652  3.85754e+00  1.40547e+01  0.00000e+00 0.00000e+00 4.74669e+02 74.652  1.82680e+02 74.652  0.9651 
1 1 1 4  1  28 o 4  1.58585e+02 2.53233e+00 2.07555e+02 134.009 -4.03330e+00 4.17532e+00  0.00000e+00 0.00000e+00 1.41432e+02 134.009 6.61225e+01 314.009 0.9092 
1 1 1 4  1  29 o 8  5.60399e+02 4.40824e+00 6.24359e+02 246.682 -2.31664e+01 -5.37453e+01 0.00000e+00 0.00000e+00 7.17061e+02 246.682 9.27028e+01 246.682 0.9914 
1 1 1 4  1  30 o 2  5.15497e+02 3.90889e+00 6.09249e+02 123.279 -2.38460e+01 3.63303e+01  0.00000e+00 0.00000e+00 6.17837e+02 123.279 8.58772e+00 123.279 0.9884 
1 1 1 4  1  31 o 8  4.24801e+02 3.51099e+00 7.06653e+02 164.920 -3.86048e+01 1.04021e+01  0.00000e+00 0.00000e+00 3.00852e+02 164.920 4.05800e+02 344.920 0.9874 
1 1 1 4  1  32 o 12 2.59267e+02 2.59127e+00 3.54089e+02 262.153 -1.97019e+00 -1.42960e+01 0.00000e+00 0.00000e+00 2.45044e+02 262.153 1.09044e+02 82.153  0.9647 
1 1 1 4  1  33 o 9  3.52064e+02 3.29076e+00 3.82186e+02 359.276 1.72628e+01  -2.17999e-01 0.00000e+00 0.00000e+00 4.34061e+02 359.276 5.18755e+01 359.276 0.9706 
1 1 1 4  1  34 o 15 1.88493e+02 2.75563e+00 2.52501e+02 229.279 -5.07295e+00 -5.89353e+00 0.00000e+00 0.00000e+00 1.66507e+02 229.279 8.59939e+01 49.279  0.9333 
1 1 1 4  1  35 o 18 3.54659e+02 3.15976e+00 4.08550e+02 46.814  1.49401e+01  1.59171e+01  0.00000e+00 0.00000e+00 4.14151e+02 46.814  5.60144e+00 46.814  0.9768 
1 1 1 4  1  36 o 6  1.52400e+02 2.80048e+00 5.71689e+01 121.135 -8.09152e-01 1.33949e+00  0.00000e+00 0.00000e+00 1.63563e+02 121.135 1.06394e+02 121.135 0.6118 
1 1 1 4  1  37 f 0  5.80329e+02 4.41912e+00 6.25486e+02 122.508 -3.86090e+01 6.05860e+01  0.00000e+00 0.00000e+00 7.34545e+02 122.508 1.09059e+02 122.508 0.9930 
1 1 1 4  1  38 o 15 3.49875e+02 3.08638e+00 3.34039e+02 340.351 2.24423e+01  -8.01315e+00 0.00000e+00 0.00000e+00 4.71553e+02 340.351 1.37514e+02 340.351 0.9788 
1 1 1 4  1  39 o 14 9.90072e+01 4.34425e+00 7.09892e+01 359.308 1.53037e+00  -1.84720e-02 0.00000e+00 0.00000e+00 6.91216e+01 359.308 1.86760e+00 179.308 0.6036 
1 1 1 4  1  40 o 12 3.89281e+02 3.07045e+00 4.28237e+02 156.929 -3.45268e+01 1.47061e+01  0.00000e+00 0.00000e+00 4.69168e+02 156.929 4.09316e+01 156.929 0.9866 
1 1 1 4  1  41 o 10 1.80767e+02 2.88010e+00 1.53865e+02 24.275  6.29055e+00  2.83698e+00  0.00000e+00 0.00000e+00 2.35229e+02 24.275  8.13638e+01 24.275  0.9244 
1 1 1 4  1  43 o 4  5.86879e+02 4.33792e+00 6.29700e+02 185.350 -1.24687e+02 -1.16772e+01 0.00000e+00 0.00000e+00 7.21543e+02 185.350 9.18433e+01 185.350 0.9960 
1 1 1 4  1  44 o 8  2.90840e+02 2.91878e+00 3.74693e+02 313.269 2.34967e+01  -2.49611e+01 0.00000e+00 0.00000e+00 2.85272e+02 313.269 8.94209e+01 133.269 0.9853 
1 1 1 4  1  46 f 0  4.05383e+02 3.62404e+00 3.63368e+02 321.985 5.02564e+01  -3.92863e+01 0.00000e+00 0.00000e+00 5.55722e+02 321.985 1.92354e+02 321.985 0.9921 
1 1 1 4  1  47 o 16 6.48893e+01 7.40085e+00 1.05817e+02 66.452  1.12856e+00  2.58955e+00  0.00000e+00 0.00000e+00 1.17672e+01 66.452  9.40495e+01 246.452 0.7961 
1 1 1 4  1  48 o 12 3.89129e+02 3.56727e+00 4.08059e+02 178.139 -6.54991e+01 2.12784e+00  0.00000e+00 0.00000e+00 4.67240e+02 178.139 5.91810e+01 178.139 0.9923 
1 1 1 4  1  49 o 19 1.05083e+02 4.72611e+00 1.15768e+02 253.528 -1.80562e+00 -6.10652e+00 0.00000e+00 0.00000e+00 1.01917e+02 253.528 1.38510e+01 73.528  0.9177 
1 1 1 4  1  50 o 9  1.23483e+02 4.25035e+00 1.62956e+02 44.517  6.82628e+00  6.71220e+00  0.00000e+00 0.00000e+00 9.96698e+01 44.517  6.32863e+01 224.517 0.9462 
1 1 1 4  1  51 o 10 1.13411e+02 4.55051e+00 2.24452e+02 325.519 1.38216e+01  -9.49254e+00 0.00000e+00 0.00000e+00 2.16594e+01 325.519 2.02792e+02 145.519 0.9697 
1 1 1 4  1  52 o 7  1.65261e+02 3.76232e+00 2.37635e+02 74.070  7.05941e+00  2.47339e+01  0.00000e+00 0.00000e+00 1.23331e+02 74.070  1.14304e+02 254.070 0.9804 
1 1 1 4  1  53 o 14 3.13448e+01 9.07774e+00 1.73149e+01 190.798 -3.64545e-01 -6.95270e-02 0.00000e+00 0.00000e+00 4.63208e+00 10.798  2.19469e+01 10.798  0.1824 
1 1 1 4  1  54 o 18 2.84388e+02 3.67087e+00 2.65340e+02 79.405  1.21342e+01  6.48671e+01  0.00000e+00 0.00000e+00 3.57722e+02 79.405  9.23819e+01 79.405  0.9924 
1 1 1 4  1  55 o 11 1.08001e+02 4.83678e+00 1.22539e+02 2.285   9.99278e+00  3.98678e-01  0.00000e+00 0.00000e+00 1.02577e+02 2.285   1.99615e+01 182.285 0.9486 
1 1 1 4  1  56 o 18 9.26076e+01 6.08566e+00 1.60446e+02 303.038 7.77441e+00  -1.19543e+01 0.00000e+00 0.00000e+00 3.48361e+01 303.038 1.25610e+02 123.038 0.9643 
1 1 1 4  1  57 o 11 5.66251e+01 8.57646e+00 7.80537e+01 331.713 3.37413e+00  -1.81576e+00 0.00000e+00 0.00000e+00 2.75179e+01 331.713 5.05357e+01 151.713 0.8567 
1 1 1 4  1  58 o 1  1.14690e+02 5.24926e+00 1.32526e+02 216.994 -1.38400e+01 -1.04267e+01 0.00000e+00 0.00000e+00 1.08550e+02 216.994 2.39765e+01 36.994  0.9707 
1 1 1 4  1  59 o 7  1.88373e+02 4.02434e+00 1.79272e+02 134.852 -3.12783e+01 3.14403e+01  0.00000e+00 0.00000e+00 2.21980e+02 134.852 4.27083e+01 134.852 0.9887 
1 1 1 4  1  60 o 3  1.39365e+02 4.25847e+00 1.35034e+02 327.967 2.01497e+01  -1.26070e+01 0.00000e+00 0.00000e+00 1.57340e+02 327.967 2.23056e+01 327.967 0.9787 
1 1 1 4  1  61 o 2  1.41816e+02 4.02281e+00 9.88464e+01 167.721 -1.81081e+01 3.94108e+00  0.00000e+00 0.00000e+00 1.95277e+02 167.721 9.64302e+01 167.721 0.9726 
1 1 1 4  1  62 f 0  6.49514e+01 7.13205e+00 5.66734e+01 61.052  2.61309e+00  4.72421e+00  0.00000e+00 0.00000e+00 6.75737e+01 61.052  1.09003e+01 61.052  0.9019 
1 1 1 4  1  63 o 11 1.84146e+02 3.71676e+00 1.62305e+02 322.544 3.58562e+01  -2.74696e+01 0.00000e+00 0.00000e+00 2.21853e+02 322.544 5.95486e+01 322.544 0.9889 
1 1 1 4  1  64 o 15 5.88920e+01 7.91495e+00 5.64276e+01 319.549 3.99247e+00  -3.40396e+00 0.00000e+00 0.00000e+00 5.46308e+01 319.549 1.79686e+00 139.549 0.8988 
1 1 1 4  1  65 o 12 2.65328e+01 8.34979e+00 4.27216e+01 47.744  1.29264e+00  1.42280e+00  0.00000e+00 0.00000e+00 4.82238e+00 227.744 4.75439e+01 227.744 0.6846 
1 1 1 4  1  66 o 13 9.68725e+01 5.41330e+00 6.81195e+01 201.083 -1.27977e+01 -4.93378e+00 0.00000e+00 0.00000e+00 1.25392e+02 201.083 5.72728e+01 201.083 0.9628 
1 1 1 4  1  67 o 11 4.49076e+01 9.50098e+00 3.55208e+01 145.806 -2.56834e+00 1.74504e+00  0.00000e+00 0.00000e+00 4.02071e+01 145.806 4.68633e+00 145.806 0.8175 
1 1 1 4  1  68 o 4  3.12330e+01 9.00498e+00 3.14418e+01 44.450  1.56397e+00  1.53420e+00  0.00000e+00 0.00000e+00 1.51102e+01 44.450  1.63316e+01 224.450 0.7268 
1 1 1 4  1  69 o 14 5.04860e+01 1.00317e+01 3.20796e+01 275.295 3.46010e-01  -3.73342e+00 0.00000e+00 0.00000e+00 5.57347e+01 275.295 2.36551e+01 275.295 0.8531 
1 1 1 4  2  0  f 0  6.07208e+02 6.26379e+00 6.01323e+02 0.000   5.87919e+00  0.00000e+00  0.00000e+00 0.00000e+00 9.19511e+02 0.000   3.18187e+02 0.000   1.0000 
1 1 1 4  2  1  o 19 2.11790e+02 1.91379e+00 5.51518e+00 133.791 -2.58783e-02 2.69942e-02  0.00000e+00 0.00000e+00 4.40096e+00 133.791 1.11421e+00 313.791 0.0187 
1 1 1 4  2  2  o 8  2.76675e+02 2.13884e+00 2.71844e+02 147.720 -4.00236e+00 2.52828e+00  0.00000e+00 0.00000e+00 3.42604e+02 147.720 7.07603e+01 147.720 0.8868 
1 1 1 4  2  3  o 14 3.94979e+02 2.69881e+00 3.31921e+02 130.237 -5.16408e+00 6.10282e+00  0.00000e+00 0.00000e+00 5.92895e+02 130.237 2.60974e+02 130.237 0.9352 
1 1 1 4  2  4  o 2  1.76968e+02 1.86529e+00 1.13447e+02 337.648 1.08603e+00  -4.46577e-01 0.00000e+00 0.00000e+00 1.10122e+02 337.648 3.32517e+00 157.647 0.5047 
1 1 1 4  2  5  o 13 4.10523e+02 2.76831e+00 5.87335e+02 190.691 -1.31687e+01 -2.48620e+00 0.00000e+00 0.00000e+00 4.00684e+02 190.691 1.86650e+02 10.691  0.9619 
1 1 1 4  2  6  o 9  3.02855e+02 2.24414e+00 3.54883e+02 340.636 5.32144e+00  -1.87020e+00 0.00000e+00 0.00000e+00 3.31589e+02 340.636 2.32942e+01 160.636 0.9064 
1 1 1 4  2  7  o 6  8.45031e+02 5.22248e+00 1.17636e+03 84.894  4.35564e+00  4.87427e+01  0.00000e+00 0.00000e+00 9.14006e+02 84.894  2.62351e+02 264.894 0.9897 
1 1 1 4  2  8  o 2  8.83060e+02 5.44202e+00 8.25287e+02 136.113 -2.42073e+01 2.32849e+01  0.00000e+00 0.00000e+00 1.34730e+03 136.113 5.22017e+02 136.113 0.9850 
1 1 1 4  2  9  o 3  5.53844e+02 3.54566e+00 6.06884e+02 104.708 -4.88766e+00 1.86201e+01  0.00000e+00 0.00000e+00 7.39079e+02 104.708 1.32195e+02 104.708 0.9737 
1 1 1 4  2  10 o 8  1.07286e+03 6.79423e+00 1.25709e+03 108.686 -2.30402e+01 6.81255e+01  0.00000e+00 0.00000e+00 1.39983e+03 108.686 1.42735e+02 108.686 0.9930 
1 1 1 4  2  11 o 6  1.01818e+03 6.66709e+00 1.31982e+03 212.348 -5.65220e+01 -3.57981e+01 0.00000e+00 0.00000e+00 1.19807e+03 212.348 1.21747e+02 32.348  0.9925 
1 1 1 4  2  12 o 13 3.65425e+02 2.83625e+00 5.58300e+02 202.488 -1.49493e+01 -6.18860e+00 0.00000e+00 0.00000e+00 3.22728e+02 202.488 2.35573e+02 22.488  0.9686 
1 1 1 4  2  13 o 4  2.70295e+02 2.63160e+00 3.40875e+02 228.227 -4.55539e+00 -5.09985e+00 0.00000e+00 0.00000e+00 2.79912e+02 228.227 6.09632e+01 48.227  0.9237 
1 1 1 4  2  14 o 6  4.98702e+02 3.61448e+00 7.11354e+02 278.883 3.81085e+00  -2.43817e+01 0.00000e+00 0.00000e+00 5.01854e+02 278.883 2.09500e+02 98.883  0.9795 
1 1 1 4  2  15 o 4  7.70133e+02 5.47452e+00 9.82450e+02 308.917 4.70631e+01  -5.82901e+01 0.00000e+00 0.00000e+00 9.15056e+02 308.917 6.73938e+01 128.917 0.9933 
1 1 1 4  2  16 o 10 3.54646e+02 2.92038e+00 2.91997e+02 13.759  9.42729e+00  2.30846e+00  0.00000e+00 0.00000e+00 5.39952e+02 13.759  2.47955e+02 13.759  0.9470 
1 1 1 4  2  17 o 3  3.88191e+02 3.01637e+00 4.00142e+02 34.439  1.51738e+01  1.04048e+01  0.00000e+00 0.00000e+00 5.33631e+02 34.439  1.33488e+02 34.439  0.9724 
1 1 1 4  2  18 f 0  2.06997e+02 2.28404e+00 1.79182e+02 119.605 -2.06141e+00 3.62799e+00  0.00000e+00 0.00000e+00 2.65540e+02 119.605 8.63585e+01 119.605 0.8699 
1 1 1 4  2  19 o 18 1.86798e+02 2.29200e+00 3.21573e+02 45.995  6.05640e+00  6.27046e+00  0.00000e+00 0.00000e+00 1.11781e+02 45.995  2.09792e+02 225.995 0.9408 
1 1 1 4  2  20 o 10 2.43132e+02 2.83630e+00 9.07405e+01 181.565 -3.06316e+00 -8.36650e-02 0.00000e+00 0.00000e+00 3.96853e+02 181.565 3.06113e+02 181.565 0.8146 
1 1 1 4  2  21 o 6  2.79437e+02 2.63613e+00 3.74681e+02 287.587 4.71149e+00  -1.48641e+01 0.00000e+00 0.00000e+00 2.89631e+02 287.587 8.50500e+01 107.587 0.9674 
1 1 1 4  2  22 f 0  3.62548e+02 2.79559e+00 5.47406e+02 223.138 -2.38411e+01 -2.23401e+01 0.00000e+00 0.00000e+00 3.28179e+02 223.138 2.19227e+02 43.138  0.9846 
1 1 1 4  2  23 o 15 3.33918e+02 2.67086e+00 3.49319e+02 237.047 -1.00642e+01 -1.55253e+01 0.00000e+00 0.00000e+00 4.45760e+02 237.047 9.64406e+01 237.047 0.9726 
1 1 1 4  2  24 o 15 2.20329e+02 2.40468e+00 3.34066e+02 6.069   1.41495e+01  1.50433e+00  0.00000e+00 0.00000e+00 1.84968e+02 6.069   1.49098e+02 186.069 0.9642 
1 1 1 4  2  25 o 3  1.77385e+02 2.35472e+00 9.65119e+01 16.441  2.70741e+00  7.98948e-01  0.00000e+00 0.00000e+00 2.47730e+02 16.441  1.51218e+02 16.441  0.7960 
1 1 1 4  2  26 o 13 2.76092e+02 2.81067e+00 9.18655e+01 5.368   3.93869e+00  3.70084e-01  0.00000e+00 0.00000e+00 4.86966e+02 5.368   3.95101e+02 5.368   0.8618 
1 1 1 4  2  27 o 18 1.44506e+02 2.39263e+00 1.68878e+02 348.807 3.61087e+00  -7.14509e-01 0.00000e+00 0.00000e+00 1.29255e+02 348.807 3.96231e+01 168.807 0.8500 
1 1 1 4  2  28 f 0  2.20012e+02 2.91846e+00 3.25453e+02 289.670 4.20092e+00  -1.17519e+01 0.00000e+00 0.00000e+00 1.85470e+02 289.670 1.39983e+02 109.670 0.9591 
1 1 1 4  2  29 o 1  1.95175e+02 2.72978e+00 3.37666e+02 287.937 3.36225e+00  -1.03866e+01 0.00000e+00 0.00000e+00 1.11629e+02 287.937 2.26037e+02 107.937 0.9530 
1 1 1 4  2  30 o 9  5.62419e+02 4.48784e+00 5.91651e+02 169.610 -4.47346e+01 8.20198e+00  0.00000e+00 0.00000e+00 7.48402e+02 169.610 1.56751e+02 169.610 0.9889 
1 1 1 4  2  31 o 3  2.78589e+02 3.17859e+00 3.85993e+02 135.695 -1.24170e+01 1.21191e+01  0.00000e+00 0.00000e+00 2.63858e+02 135.695 1.22135e+02 315.695 0.9707 
1 1 1 4  2  32 o 5  3.96148e+02 3.13496e+00 3.86526e+02 141.923 -1.59227e+01 1.24746e+01  0.00000e+00 0.00000e+00 5.39047e+02 141.923 1.52521e+02 141.923 0.9750 
1 1 1 4  2  33 o 7  4.38375e+02 3.25114e+00 4.40858e+02 261.728 -4.68227e+00 -3.22079e+01 0.00000e+00 0.00000e+00 5.90520e+02 261.728 1.49662e+02 261.728 0.9845 
1 1 1 4  2  34 o 13 5.72280e+02 3.99730e+00 7.16691e+02 52.409  3.88418e+01  5.04533e+01  0.00000e+00 0.00000e+00 6.36207e+02 52.409  8.04838e+01 232.409 0.9921 
1 1 1 4  2  35 o 16 1.79401e+02 3.52909e+00 2.31496e+02 241.896 -3.62162e+00 -6.78161e+00 0.00000e+00 0.00000e+00 1.65945e+02 241.896 6.55506e+01 61.896  0.9325 
1 1 1 4  2  36 o 5  5.92685e+02 4.29159e+00 6.26879e+02 254.340 -2.02592e+01 -7.22686e+01 0.00000e+00 0.00000e+00 7.67505e+02 254.340 1.40626e+02 254.340 0.9933 
1 1 1 4  2  37 o 7  5.41692e+01 5.95958e+00 1.59348e+02 69.839  5.81069e-01  1.58265e+00  0.00000e+00 0.00000e+00 7.76410e+01 249.839 2.36989e+02 249.839 0.6389 
1 1 1 4  2  38 o 4  5.91177e+02 4.49900e+00 6.18345e+02 260.262 -1.24653e+01 -7.26369e+01 0.00000e+00 0.00000e+00 7.63469e+02 260.262 1.45124e+02 260.262 0.9932 
1 1 1 4  2  40 o 19 1.94035e+02 2.79605e+00 2.24548e+02 124.266 -5.47817e+00 8.04081e+00  0.00000e+00 0.00000e+00 2.05051e+02 124.266 1.94961e+01 304.266 0.9471 
1 1 1 4  2  41 o 8  2.49053e+02 2.79320e+00 2.89172e+02 128.430 -1.10194e+01 1.38880e+01  0.00000e+00 0.00000e+00 2.74384e+02 128.430 1.47879e+01 308.430 0.9714 
1 1 1 4  2  42 o 18 5.37570e+02 4.19112e+00 3.84904e+02 173.008 -6.07637e+01 7.45217e+00  0.00000e+00 0.00000e+00 8.52644e+02 173.008 4.67740e+02 173.008 0.9918 
1 1 1 4  2  43 o 11 4.07071e+02 3.43911e+00 4.93738e+02 244.178 -2.95374e+01 -6.10426e+01 0.00000e+00 0.00000e+00 4.40711e+02 244.178 5.30272e+01 64.179  0.9926 
1 1 1 4  2  44 o 5  3.80419e+02 3.31587e+00 3.41451e+02 343.841 3.89359e+01  -1.12813e+01 0.00000e+00 0.00000e+00 5.24152e+02 343.841 1.82701e+02 343.841 0.9876 
1 1 1 4  2  45 o 12 2.67792e+02 2.81677e+00 3.93289e+02 202.007 -3.76094e+01 -1.52004e+01 0.00000e+00 0.00000e+00 2.13714e+02 202.007 1.79575e+02 22.007  0.9876 
1 1 1 4  2  46 o 5  1.58179e+02 3.02617e+00 1.95445e+02 212.514 -1.12455e+01 -7.16798e+00 0.00000e+00 0.00000e+00 1.52345e+02 212.514 4.30991e+01 32.514  0.9617 
1 1 1 4  2  47 o 4  1.11792e+02 3.71065e+00 1.36367e+02 9.906   6.26058e+00  1.09328e+00  0.00000e+00 0.00000e+00 9.71968e+01 9.906   3.91705e+01 189.906 0.9175 
1 1 1 4  2  48 o 17 1.56270e+02 3.05778e+00 2.26339e+02 145.073 -1.35196e+01 9.44104e+00  0.00000e+00 0.00000e+00 1.17115e+02 145.073 1.09224e+02 325.073 0.9692 
1 1 1 4  2  49 o 18 3.49273e+02 3.03237e+00 4.90611e+02 19.436  8.47839e+01  2.99171e+01  0.00000e+00 0.00000e+00 2.93732e+02 19.436  1.96879e+02 199.436 0.9944 
1 1 1 4  2  50 o 19 3.10420e+02 2.90566e+00 3.37897e+02 111.768 -2.52395e+01 6.32058e+01  0.00000e+00 0.00000e+00 3.54972e+02 111.768 1.70746e+01 111.768 0.9926 
1 1 1 4  2  51 o 16 1.42225e+02 3.20644e+00 1.32026e+02 131.386 -8.19877e+00 9.30428e+00  0.00000e+00 0.00000e+00 1.73272e+02 131.386 4.12460e+01 131.386 0.9588 
1 1 1 4  2  52 o 16 7.88615e+01 4.88018e+00 9.90672e+01 288.031 1.60685e+00  -4.93626e+00 0.00000e+00 0.00000e+00 5.87152e+01 288.031 4.03521e+01 108.031 0.8976 
1 1 1 4  2  53 o 6  2.12466e+02 3.45845e+00 2.64612e+02 359.345 4.04164e+01  -4.61727e-01 0.00000e+00 0.00000e+00 2.00948e+02 359.345 6.36640e+01 179.345 0.9876 
1 1 1 4  2  54 o 4  2.30231e+02 2.85689e+00 2.13873e+02 44.822  3.05667e+01  3.03775e+01  0.00000e+00 0.00000e+00 2.88686e+02 44.822  7.48130e+01 44.822  0.9883 
1 1 1 4  2  55 o 2  1.33101e+02 3.41982e+00 9.14845e+01 339.569 8.66822e+00  -3.22901e+00 0.00000e+00 0.00000e+00 1.84808e+02 339.569 9.33235e+01 339.569 0.9443 
1 1 1 4  2  56 f 0  9.33440e+01 4.20065e+00 7.83385e+01 114.662 -2.97636e+00 6.48228e+00  0.00000e+00 0.00000e+00 1.10966e+02 114.662 3.26272e+01 114.662 0.9270 
1 1 1 4  2  57 o 16 2.26374e+02 2.80954e+00 2.37520e+02 173.779 -5.91895e+01 6.45189e+00  0.00000e+00 0.00000e+00 2.51169e+02 173.779 1.36484e+01 173.779 0.9916 
1 1 1 4  2  59 o 13 3.77494e+01 8.11189e+00 5.82258e+01 348.677 2.63514e+00  -5.27662e-01 0.00000e+00 0.00000e+00 5.56056e+00 348.677 5.26653e+01 168.677 0.7839 
1 1 1 4  2  60 o 16 1.35482e+02 3.30756e+00 1.15400e+02 177.434 -1.98457e+01 8.89369e-01  0.00000e+00 0.00000e+00 1.67720e+02 177.434 5.23202e+01 177.434 0.9745 
1 1 1 4  2  61 o 1  1.16937e+02 3.47330e+00 9.28883e+01 274.778 1.26086e+00  -1.50835e+01 0.00000e+00 0.00000e+00 1.48181e+02 274.778 5.52926e+01 274.778 0.9664 
1 1 1 4  2  62 o 17 1.44334e+02 3.15235e+00 1.31947e+02 78.688  5.92417e+00  2.96147e+01  0.00000e+00 0.00000e+00 1.69209e+02 78.688  3.72616e+01 78.688  0.9833 
1 1 1 4  2  63 o 8  9.60679e+01 4.06210e+00 6.25445e+01 126.120 -5.31123e+00 7.27820e+00  0.00000e+00 0.00000e+00 1.28605e+02 126.120 6.60602e+01 126.120 0.9428 
1 1 1 4  2  64 o 12 5.61253e+01 6.02087e+00 5.74932e+01 241.657 -2.52089e+00 -4.67347e+00 0.00000e+00 0.00000e+00 4.85466e+01 241.657 8.94654e+00 61.657  0.9001 
1 1 1 4  2  65 o 15 7.81643e+01 5.79263e+00 5.37951e+01 275.734 7.58797e-01  -7.55660e+00 0.00000e+00 0.00000e+00 9.82066e+01 275.734 4.44114e+01 275.734 0.9316 
1 1 1 4  2  66 o 1  1.44625e+02 4.31112e+00 1.19418e+02 288.247 1.14698e+01  -3.47901e+01 0.00000e+00 0.00000e+00 1.76640e+02 288.247 5.72222e+01 288.247 0.9863 
1 1 1 4  2  67 o 10 5.54399e+01 8.37147e+00 4.03512e+01 194.419 -4.38356e+00 -1.12703e+00 0.00000e+00 0.00000e+00 6.04573e+01 194.419 2.01060e+01 194.419 0.8811 
1 1 1 4  2  68 o 17 4.29914e+01 9.45369e+00 6.45378e+01 51.779  3.74909e+00  4.76065e+00  0.00000e+00 0.00000e+00 1.60201e+01 51.779  4.85177e+01 231.779 0.9133 
1 1 1 4  2  69 o 15 6.29976e+01 1.10071e+01 5.41461e+01 175.497 -7.49180e+00 5.90020e-01  0.00000e+00 0.00000e+00 6.54646e+01 175.497 1.13184e+01 175.497 0.9309 
1 1 1 4  3  0  o 10 6.26216e+02 5.61116e+00 3.44511e+02 180.000 -5.75747e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.22504e+03 180.000 8.80527e+02 180.000 1.0000 
1 1 1 4  3  1  o 19 1.38286e+02 1.90422e+00 3.38288e+01 153.816 -2.23103e-01 1.09701e-01  0.00000e+00 0.00000e+00 8.92566e+00 153.816 2.49031e+01 333.816 0.1234 
1 1 1 4  3  2  o 11 4.06460e+02 2.86026e+00 2.89170e+02 305.908 3.60727e+00  -4.98179e+00 0.00000e+00 0.00000e+00 6.42479e+02 305.908 3.53309e+02 305.908 0.9146 
1 1 1 4  3  3  o 8  8.07179e+02 5.00976e+00 1.14118e+03 50.644  2.97936e+01  3.63279e+01  0.00000e+00 0.00000e+00 8.59554e+02 50.644  2.81623e+02 230.644 0.9893 
1 1 1 4  3  4  f 0  4.43133e+02 2.96239e+00 5.82360e+02 77.546  2.74924e+00  1.24485e+01  0.00000e+00 0.00000e+00 4.83102e+02 77.546  9.92582e+01 257.546 0.9599 
1 1 1 4  3  5  o 9  3.55911e+02 2.52593e+00 4.71592e+02 306.707 4.76112e+00  -6.38586e+00 0.00000e+00 0.00000e+00 3.61547e+02 306.707 1.10045e+02 126.707 0.9349 
1 1 1 4  3  6  o 7  1.73809e+02 2.51591e+00 1.36678e+02 12.809  1.04965e+00  2.38651e-01  0.00000e+00 0.00000e+00 6.89841e+01 12.809  6.76936e+01 192.809 0.4728 
1 1 1 4  3  7  o 4  8.04494e+02 5.56336e+00 8.18786e+02 241.269 -1.80836e+01 -3.29881e+01 0.00000e+00 0.00000e+00 1.16646e+03 241.269 3.47671e+02 241.269 0.9866 
1 1 1 4  3  8  o 10 4.33779e+02 4.37316e+00 6.22922e+02 55.162  8.35142e+00  1.19993e+01  0.00000e+00 0.00000e+00 4.23561e+02 55.162  1.99361e+02 235.162 0.9652 
1 1 1 4  3  9  o 6  5.64286e+02 4.24981e+00 5.84629e+02 356.641 1.68291e+01  -9.87635e-01 0.00000e+00 0.00000e+00 7.82330e+02 356.641 1.97701e+02 356.641 0.9699 
1 1 1 4  3  10 o 5  7.95346e+02 5.78896e+00 9.67498e+02 93.347  -2.16361e+00 3.69942e+01  0.00000e+00 0.00000e+00 9.90451e+02 93.347  2.29525e+01 93.347  0.9864 
1 1 1 4  3  11 f 0  4.73312e+02 3.46850e+00 5.44620e+02 304.974 1.14221e+01  -1.63280e+01 0.00000e+00 0.00000e+00 6.05535e+02 304.974 6.09146e+01 304.974 0.9746 
1 1 1 4  3  12 o 13 1.16588e+03 7.69588e+00 1.16519e+03 104.260 -2.42872e+01 9.55617e+01  0.00000e+00 0.00000e+00 1.72418e+03 104.260 5.58989e+02 104.260 0.9949 
1 1 1 4  3  13 o 11 3.93976e+02 2.87473e+00 6.52530e+02 135.148 -1.25431e+01 1.24784e+01  0.00000e+00 0.00000e+00 2.99661e+02 135.148 3.52869e+02 315.148 0.9713 
1 1 1 4  3  14 o 2  1.52582e+02 2.13395e+00 2.04918e+02 215.577 -2.51182e+00 -1.79676e+00 0.00000e+00 0.00000e+00 1.04641e+02 215.577 1.00278e+02 35.577  0.8163 
1 1 1 4  3  15 o 16 1.67886e+02 2.32804e+00 2.59247e+02 107.819 -1.24718e+00 3.88002e+00  0.00000e+00 0.00000e+00 1.01797e+02 107.819 1.57451e+02 287.819 0.8664 
1 1 1 4  3  16 o 14 5.63731e+02 4.26453e+00 7.43954e+02 267.520 -2.15151e+00 -4.96713e+01 0.00000e+00 0.00000e+00 6.39368e+02 267.520 1.04586e+02 87.520  0.9899 
1 1 1 4  3  17 f 0  5.10106e+02 3.47276e+00 5.80741e+02 343.802 3.21348e+01  -9.33455e+00 0.00000e+00 0.00000e+00 6.62963e+02 343.802 8.22218e+01 343.802 0.9849 
1 1 1 4  3  18 o 17 4.04568e+02 3.02942e+00 5.28252e+02 52.386  1.90487e+01  2.47225e+01  0.00000e+00 0.00000e+00 4.55552e+02 52.386  7.27003e+01 232.386 0.9838 
1 1 1 4  3  19 o 19 3.12321e+02 2.72765e+00 2.46182e+02 176.000 -1.07455e+01 7.51481e-01  0.00000e+00 0.00000e+00 4.87845e+02 176.000 2.41663e+02 176.000 0.9524 
1 1 1 4  3  20 o 16 2.93023e+01 6.99920e+00 1.00981e+02 274.686 3.60899e-02  -4.40244e-01 0.00000e+00 0.00000e+00 8.54140e+01 94.686  1.86395e+02 94.686  0.2156 
1 1 1 4  3  21 o 5  3.42200e+02 2.81881e+00 4.16879e+02 123.783 -1.32036e+01 1.97363e+01  0.00000e+00 0.00000e+00 4.06752e+02 123.783 1.01265e+01 303.783 0.9787 
1 1 1 4  3  22 o 16 2.47223e+02 2.45985e+00 2.47170e+02 16.547  9.40258e+00  2.79363e+00  0.00000e+00 0.00000e+00 3.27861e+02 16.547  8.06918e+01 16.547  0.9476 
1 1 1 4  3  23 o 14 4.19367e+02 3.31930e+00 4.75564e+02 320.073 2.99211e+01  -2.50417e+01 0.00000e+00 0.00000e+00 5.38592e+02 320.073 6.30276e+01 320.073 0.9871 
1 1 1 4  3  24 o 11 1.45139e+02 2.56127e+00 1.38061e+02 93.436  -2.00532e-01 3.34016e+00  0.00000e+00 0.00000e+00 1.57409e+02 93.436  1.93477e+01 93.436  0.8326 
1 1 1 4  3  25 o 11 1.48351e+02 2.52672e+00 2.23238e+02 85.475  4.22654e-01  5.34085e+00  0.00000e+00 0.00000e+00 1.02895e+02 85.475  1.20344e+02 265.475 0.9011 
1 1 1 4  3  26 o 6  3.64470e+02 2.75151e+00 4.20114e+02 223.813 -1.69051e+01 -1.62189e+01 0.00000e+00 0.00000e+00 4.48011e+02 223.813 2.78976e+01 223.813 0.9784 
1 1 1 4  3  27 o 13 3.94853e+02 3.15183e+00 4.26122e+02 323.866 2.40660e+01  -1.75710e+01 0.00000e+00 0.00000e+00 5.16689e+02 323.866 9.05670e+01 323.866 0.9831 
1 1 1 4  3  28 o 5  4.74639e+02 3.36407e+00 6.11781e+02 186.013 -4.86897e+01 -5.12855e+00 0.00000e+00 0.00000e+00 5.26510e+02 186.013 8.52710e+01 6.013   0.9897 
1 1 1 4  3  29 o 7  3.05503e+02 2.55681e+00 5.01864e+02 96.553  -2.84282e+00 2.47474e+01  0.00000e+00 0.00000e+00 2.21606e+02 96.553  2.80258e+02 276.553 0.9797 
1 1 1 4  3  30 o 1  8.41533e+01 3.57098e+00 3.01590e+02 187.606 -3.37897e+00 -4.51213e-01 0.00000e+00 0.00000e+00 1.31929e+02 7.606   4.33519e+02 7.606   0.8362 
1 1 1 4  3  31 o 5  6.00815e+02 4.00448e+00 6.99645e+02 65.568  2.75390e+01  6.06202e+01  0.00000e+00 0.00000e+00 7.34227e+02 65.568  3.45818e+01 65.568  0.9925 
1 1 1 4  3  32 o 6  5.17895e+02 3.53923e+00 5.89823e+02 12.146  3.87226e+01  8.33423e+00  0.00000e+00 0.00000e+00 6.36385e+02 12.146  4.65617e+01 12.146  0.9873 
1 1 1 4  3  33 f 0  5.76586e+02 4.04738e+00 6.71099e+02 233.529 -3.79762e+01 -5.13760e+01 0.00000e+00 0.00000e+00 6.96932e+02 233.529 2.58338e+01 233.529 0.9921 
1 1 1 4  3  34 o 6  1.37257e+02 2.53241e+00 1.65987e+02 35.025  2.84993e+00  1.99737e+00  0.00000e+00 0.00000e+00 1.08960e+02 35.025  5.70262e+01 215.025 0.8401 
1 1 1 4  3  35 o 12 4.15747e+02 3.17587e+00 4.67041e+02 224.656 -2.51455e+01 -2.48452e+01 0.00000e+00 0.00000e+00 5.07291e+02 224.656 4.02501e+01 224.656 0.9858 
1 1 1 4  3  36 o 1  3.57996e+02 2.91985e+00 4.55694e+02 273.872 2.19847e+00  -3.24779e+01 0.00000e+00 0.00000e+00 3.79682e+02 273.872 7.60121e+01 93.873  0.9845 
1 1 1 4  3  37 f 0  3.04322e+02 2.73165e+00 3.56637e+02 81.862  2.97337e+00  2.07931e+01  0.00000e+00 0.00000e+00 3.45060e+02 81.862  1.15768e+01 261.862 0.9759 
1 1 1 4  3  38 o 10 1.67262e+02 2.73289e+00 2.09361e+02 327.222 5.86898e+00  -3.77915e+00 0.00000e+00 0.00000e+00 1.55136e+02 327.222 5.42257e+01 147.222 0.9253 
1 1 1 4  3  39 o 12 8.57614e+01 4.16214e+00 7.98336e+01 168.111 -1.53009e+00 3.22125e-01  0.00000e+00 0.00000e+00 4.32595e+01 168.111 3.65741e+01 348.111 0.6115 
1 1 1 4  3  40 o 3  1.27407e+02 3.22162e+00 1.74008e+02 56.201  3.10962e+00  4.64525e+00  0.00000e+00 0.00000e+00 9.58637e+01 56.201  7.81442e+01 236.201 0.9055 
1 1 1 4  3  41 o 8  3.84527e+02 4.76421e+00 3.96403e+02 12.906  3.82272e+01  8.75913e+00  0.00000e+00 0.00000e+00 4.88478e+02 12.906  9.20754e+01 12.906  0.9872 
1 1 1 4  3  42 o 18 2.64683e+02 2.73071e+00 1.34615e+02 251.363 -3.33901e+00 -9.90062e+00 0.00000e+00 0.00000e+00 4.49986e+02 251.363 3.15370e+02 251.363 0.9509 
1 1 1 4  3  43 o 3  7.89171e+01 4.82643e+00 1.54172e+02 13.050  3.93522e+00  9.12099e-01  0.00000e+00 0.00000e+00 3.81425e+00 13.050  1.50358e+02 193.050 0.8650 
1 1 1 4  3  45 o 4  1.96622e+02 2.85062e+00 3.14413e+02 316.470 1.70761e+01  -1.62213e+01 0.00000e+00 0.00000e+00 1.27495e+02 316.470 1.86918e+02 136.470 0.9785 
1 1 1 4  3  46 o 1  1.25136e+02 3.49994e+00 1.49517e+02 8.023   7.90260e+00  1.11393e+00  0.00000e+00 0.00000e+00 1.18182e+02 8.023   3.13359e+01 188.023 0.9351 
1 1 1 4  3  47 o 3  4.73327e+02 3.85727e+00 5.01645e+02 13.187  9.71419e+01  2.27617e+01  0.00000e+00 0.00000e+00 5.71477e+02 13.187  6.98326e+01 13.187  0.9950 
1 1 1 4  3  48 o 3  1.49518e+02 3.11845e+00 1.62100e+02 188.959 -1.10550e+01 -1.74285e+00 0.00000e+00 0.00000e+00 1.61672e+02 188.959 4.27265e-01 8.959   0.9542 
1 1 1 4  3  49 o 17 2.74529e+02 2.86773e+00 1.88241e+02 108.046 -7.80768e+00 2.39635e+01  0.00000e+00 0.00000e+00 4.19717e+02 108.046 2.31476e+02 108.046 0.9800 
1 1 1 4  3  50 o 7  2.16524e+02 2.84314e+00 1.50279e+02 278.917 3.24595e+00  -2.06870e+01 0.00000e+00 0.00000e+00 3.25167e+02 278.917 1.74888e+02 278.917 0.9758 
1 1 1 4  3  51 o 11 1.59006e+02 3.03339e+00 2.07261e+02 320.307 1.69888e+01  -1.41011e+01 0.00000e+00 0.00000e+00 1.40819e+02 320.307 6.64426e+01 140.307 0.9771 
1 1 1 4  3  52 o 2  2.13420e+02 2.81827e+00 2.18695e+02 111.218 -1.12674e+01 2.90222e+01  0.00000e+00 0.00000e+00 2.49629e+02 111.218 3.09342e+01 111.218 0.9838 
1 1 1 4  3  53 o 2  1.70980e+02 3.38885e+00 2.41787e+02 4.219   2.86735e+01  2.11521e+00  0.00000e+00 0.00000e+00 1.31199e+02 4.219   1.10588e+02 184.219 0.9825 
1 1 1 4  3  54 o 19 9.57363e+01 3.95981e+00 1.80546e+02 213.367 -1.24521e+01 -8.20027e+00 0.00000e+00 0.00000e+00 2.38257e+01 213.367 1.56720e+02 33.367  0.9659 
1 1 1 4  3  55 o 8  8.90412e+01 4.92913e+00 9.17547e+01 190.651 -7.58603e+00 -1.42665e+00 0.00000e+00 0.00000e+00 9.09530e+01 190.651 8.01711e-01 10.651  0.9328 
1 1 1 4  3  56 o 17 1.90704e+02 2.91846e+00 2.31601e+02 335.836 3.79820e+01  -1.70413e+01 0.00000e+00 0.00000e+00 1.80866e+02 335.836 5.07353e+01 155.836 0.9879 
1 1 1 4  3  57 o 19 7.29410e+01 5.93609e+00 1.14254e+02 133.912 -6.15566e+00 6.39405e+00  0.00000e+00 0.00000e+00 3.54211e+01 133.912 7.88327e+01 313.912 0.9419 
1 1 1 4  3  59 f 0  1.79756e+02 3.76956e+00 1.57427e+02 158.193 -3.54237e+01 1.41734e+01  0.00000e+00 0.00000e+00 2.25188e+02 158.193 6.77613e+01 158.193 0.9868 
1 1 1 4  3  60 o 17 1.45432e+02 4.70783e+00 1.27214e+02 188.517 -2.27565e+01 -3.40803e+00 0.00000e+00 0.00000e+00 1.78016e+02 188.517 5.08025e+01 188.517 0.9780 
1 1 1 4  3  61 o 12 6.99694e+01 7.03754e+00 7.85875e+01 89.367  7.97306e-02  7.21497e+00  0.00000e+00 0.00000e+00 6.00055e+01 89.367  1.85820e+01 269.367 0.9279 
1 1 1 4  3  62 o 7  1.05463e+02 4.73997e+00 1.04605e+02 42.666  1.25245e+01  1.15435e+01  0.00000e+00 0.00000e+00 1.12664e+02 42.666  8.05906e+00 42.666  0.9702 
1 1 1 4  3  63 o 4  1.46956e+02 3.94181e+00 1.17733e+02 315.573 2.16688e+01  -2.12398e+01 0.00000e+00 0.00000e+00 1.87486e+02 315.573 6.97530e+01 315.573 0.9834 
1 1 1 4  3  64 o 5  6.01923e+01 8.65455e+00 5.91283e+01 127.168 -3.33843e+00 4.40331e+00  0.00000e+00 0.00000e+00 5.52063e+01 127.168 3.92203e+00 307.168 0.9043 
1 1 1 4  3  65 o 4  3.36049e+01 9.22956e+00 3.25215e+01 242.647 -8.96540e-01 -1.73308e+00 0.00000e+00 0.00000e+00 1.58856e+01 242.647 1.66360e+01 62.647  0.6896 
1 1 1 4  3  66 o 9  6.74061e+01 8.03688e+00 8.15938e+01 32.049  9.69897e+00  6.07223e+00  0.00000e+00 0.00000e+00 5.21491e+01 32.049  2.94447e+01 212.049 0.9553 
1 1 1 4  3  67 o 7  1.26374e+02 5.26525e+00 9.72174e+01 179.864 -3.02493e+01 7.20196e-02  0.00000e+00 0.00000e+00 1.59418e+02 179.864 6.22006e+01 179.864 0.9833 
1 1 1 4  3  68 o 13 1.42854e+02 4.56851e+00 1.48390e+02 125.917 -3.14280e+01 4.33897e+01  0.00000e+00 0.00000e+00 1.42169e+02 125.917 6.22078e+00 305.917 0.9906 
1 1 1 4  4  0  o 3  7.86840e+02 1.39168e+01 1.16274e+03 0.000   1.32296e+01  0.00000e+00  0.00000e+00 0.00000e+00 8.11397e+02 0.000   3.51348e+02 180.000 1.0000 
1 1 1 4  4  1  o 15 5.58320e+02 6.44412e+00 5.62999e+02 90.000  0.00000e+00  9.07380e+00  0.00000e+00 0.00000e+00 8.37738e+02 90.000  2.74739e+02 90.000  1.0000 
1 1 1 4  4  2  o 5  3.49715e+02 4.48360e+00 5.37141e+02 0.000   5.36479e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.40087e+02 0.000   1.97054e+02 180.000 1.0000 
1 1 1 4  4  3  o 18 3.32027e+02 4.35653e+00 1.95668e+02 90.000  -1.59206e-07 1.82111e+00  0.00000e+00 0.00000e+00 5.94536e+02 90.000  3.98868e+02 90.000  0.9489 
1 1 1 4  4  4  o 18 4.62986e+02 5.07077e+00 6.61224e+02 180.000 -8.36470e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.99582e+02 180.000 1.61642e+02 0.000   1.0000 
1 1 1 4  4  5  o 10 6.20164e+02 5.98184e+00 7.57727e+02 270.000 1.08762e-06  -1.24409e+01 0.00000e+00 0.00000e+00 7.96557e+02 270.000 3.88301e+01 270.000 1.0000 
1 1 1 4  4  6  o 1  7.07809e+02 6.30681e+00 9.74505e+02 180.000 -1.76097e+01 0.00000e+00  0.00000e+00 0.00000e+00 7.98596e+02 180.000 1.75910e+02 0.000   1.0000 
1 1 1 4  4  7  o 1  7.71709e+02 6.82913e+00 7.82931e+02 270.000 -9.07025e-16 -1.48128e+01 0.00000e+00 0.00000e+00 1.14916e+03 270.000 3.66226e+02 270.000 1.0000 
1 1 1 4  4  8  o 2  2.71762e+02 3.18898e+00 1.92930e+02 180.000 -2.09562e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.66762e+02 180.000 2.73833e+02 180.000 0.9702 
1 1 1 4  4  9  o 12 4.64457e+02 4.40682e+00 5.04460e+02 270.000 0.00000e+00  -8.93848e+00 0.00000e+00 0.00000e+00 6.56775e+02 270.000 1.52315e+02 270.000 1.0000 
1 1 1 4  4  10 o 3  2.00166e+02 4.18741e+00 2.25997e+02 180.000 -1.64558e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.38169e+02 180.000 1.21718e+01 180.000 0.9282 
1 1 1 4  4  11 o 2  5.04989e+02 4.71673e+00 4.70120e+02 90.000  5.03665e-16  8.22547e+00  0.00000e+00 0.00000e+00 7.90275e+02 90.000  3.20155e+02 90.000  1.0000 
1 1 1 4  4  12 o 6  2.43915e+02 3.07031e+00 1.49251e+02 0.000   1.82405e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.28059e+02 0.000   2.78808e+02 0.000   0.9492 
1 1 1 4  4  13 o 1  8.66490e+01 3.95001e+00 7.70793e+01 270.000 0.00000e+00  -3.19072e-01 0.00000e+00 0.00000e+00 1.04630e+01 90.000  8.75423e+01 90.000  0.3087 
1 1 1 4  4  14 o 13 1.65149e+02 3.16813e+00 3.13812e+02 0.000   3.15683e+00  0.00000e+00  0.00000e+00 0.00000e+00 9.55644e+01 0.000   2.18247e+02 180.000 0.9964 
1 1 1 4  4  15 o 15 4.86756e+02 6.70689e+00 4.57671e+02 270.000 1.13057e-06  -1.29322e+01 0.00000e+00 0.00000e+00 7.51778e+02 270.000 2.94107e+02 270.000 1.0000 
1 1 1 4  4  16 o 18 2.39758e+02 3.59458e+00 1.73437e+02 0.000   2.31495e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.10003e+02 0.000   2.36566e+02 0.000   0.9807 
1 1 1 4  4  17 o 10 3.05626e+02 3.66786e+00 3.59060e+02 90.000  4.85911e-16  7.93554e+00  0.00000e+00 0.00000e+00 3.98239e+02 90.000  3.91796e+01 90.000  1.0000 
1 1 1 4  4  18 o 1  9.43500e+01 6.66084e+00 5.38000e+01 0.000   3.52324e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.52022e+01 0.000   2.85977e+01 180.000 0.3384 
1 1 1 4  4  19 o 1  4.72824e+01 1.17382e+01 8.56462e+01 270.000 2.62204e-08  -2.99926e-01 0.00000e+00 0.00000e+00 5.16300e+01 90.000  1.37276e+02 90.000  0.2912 
1 1 1 4  4  20 o 4  2.33008e+02 4.21423e+00 1.96714e+02 180.000 -3.80787e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.77324e+02 180.000 1.80610e+02 180.000 0.9990 
1 1 1 4  4  21 o 13 4.32827e+02 4.50635e+00 7.20840e+02 90.000  -2.18839e-06 2.50322e+01  0.00000e+00 0.00000e+00 3.44637e+02 90.000  3.76203e+02 270.000 1.0000 
1 1 1 4  4  22 o 12 9.52368e+01 4.55481e+00 3.09410e+01 0.000   2.88887e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.48407e+01 0.000   3.89969e+00 0.000   0.2811 
1 1 1 4  4  23 o 3  7.32102e+01 5.34728e+00 4.07135e+01 90.000  -2.46651e-08 2.82136e-01  0.00000e+00 0.00000e+00 8.63777e+00 90.000  3.20757e+01 270.000 0.2749 
1 1 1 4  4  24 o 19 2.04740e+02 4.58254e+00 3.50128e+02 0.000   5.82120e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.50939e+02 0.000   1.99189e+02 180.000 1.0000 
1 1 1 4  4  25 o 1  4.21804e+02 4.94510e+00 6.40047e+02 270.000 1.81494e-06  -2.07605e+01 0.00000e+00 0.00000e+00 3.90086e+02 270.000 2.49961e+02 90.000  1.0000 
1 1 1 4  4  26 o 10 1.94349e+02 4.08315e+00 1.90624e+02 180.000 -3.30624e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.81702e+02 180.000 9.10771e+01 180.000 0.9973 
1 1 1 4  4  27 o 10 1.43986e+02 4.15044e+00 3.91304e+02 90.000  2.97693e-16  4.86169e+00  0.00000e+00 0.00000e+00 4.12755e+01 270.000 4.32580e+02 270.000 0.9999 
1 1 1 4  4  28 o 19 2.70317e+01 1.24156e+01 8.51427e+01 180.000 -1.86241e-01 0.00000e+00  0.00000e+00 0.00000e+00 7.30709e+01 0.000   1.58214e+02 0.000   0.1841 
1 1 1 4  4  29 o 11 6.97065e+02 7.30801e+00 1.11186e+03 90.000  3.21507e-15  5.25061e+01  0.00000e+00 0.00000e+00 5.74726e+02 90.000  5.37137e+02 270.000 1.0000 
1 1 1 4  4  30 o 1  2.60041e+02 3.36183e+00 2.97120e+02 0.000   6.20341e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.30459e+02 0.000   3.33387e+01 0.000   1.0000 
1 1 1 4  4  31 o 6  1.85401e+02 3.29462e+00 3.60878e+02 90.000  2.69473e-16  4.40083e+00  0.00000e+00 0.00000e+00 8.52611e+01 90.000  2.75617e+02 270.000 0.9997 
1 1 1 4  4  32 o 7  7.34594e+02 7.08259e+00 8.36310e+02 180.000 -5.13818e+01 0.00000e+00  0.00000e+00 0.00000e+00 9.27108e+02 180.000 9.07978e+01 180.000 1.0000 
1 1 1 4  4  33 o 8  6.82745e+02 6.18357e+00 7.31894e+02 90.000  -3.38109e-06 3.86752e+01  0.00000e+00 0.00000e+00 9.02469e+02 90.000  1.70576e+02 90.000  1.0000 
1 1 1 4  4  34 o 12 1.98489e+02 3.32575e+00 1.69022e+02 0.000   3.10732e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.02861e+02 0.000   1.33838e+02 0.000   0.9960 
1 1 1 4  4  35 o 18 4.45710e+02 6.45164e+00 3.68317e+02 270.000 1.45008e-06  -1.65870e+01 0.00000e+00 0.00000e+00 6.92388e+02 270.000 3.24071e+02 270.000 1.0000 
1 1 1 4  4  36 o 13 2.97500e+02 3.48363e+00 2.70524e+02 0.000   7.92761e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.35304e+02 0.000   1.64780e+02 0.000   1.0000 
1 1 1 4  4  37 o 13 3.04650e+02 3.54913e+00 2.79084e+02 270.000 -5.28149e-16 -8.62533e+00 0.00000e+00 0.00000e+00 4.41435e+02 270.000 1.62351e+02 270.000 1.0000 
1 1 1 4  4  38 o 1  2.58317e+02 4.86975e+00 1.09882e+02 0.000   3.08316e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.96533e+02 0.000   3.86651e+02 0.000   0.9958 
1 1 1 4  4  39 o 13 1.94939e+02 4.79703e+00 3.31004e+02 270.000 6.32419e-07  -7.23403e+00 0.00000e+00 0.00000e+00 1.27028e+02 270.000 2.03976e+02 90.000  1.0000 
1 1 1 4  4  40 o 1  5.44044e+02 5.40253e+00 3.40636e+02 0.000   2.29016e+01  0.00000e+00  0.00000e+00 0.00000e+00 9.33309e+02 0.000   5.92673e+02 0.000   1.0000 
1 1 1 4  4  41 o 13 5.25083e+01 7.07990e+00 1.39973e+02 270.000 9.54506e-08  -1.09183e+00 0.00000e+00 0.00000e+00 4.22532e+01 90.000  1.82226e+02 90.000  0.7975 
1 1 1 4  4  42 o 8  1.45280e+02 3.49443e+00 2.46939e+02 0.000   6.11196e+00  0.00000e+00  0.00000e+00 0.00000e+00 9.08507e+01 0.000   1.56088e+02 180.000 1.0000 
1 1 1 4  4  43 o 4  5.59786e+02 5.24365e+00 5.41432e+02 90.000  2.91738e-15  4.76444e+01  0.00000e+00 0.00000e+00 7.55371e+02 90.000  2.13939e+02 90.000  1.0000 
1 1 1 4  4  44 o 17 2.10625e+02 4.79575e+00 2.30409e+02 0.000   8.58083e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.55699e+02 0.000   2.52900e+01 0.000   1.0000 
1 1 1 4  4  45 o 18 1.44922e+02 3.64306e+00 2.23489e+02 270.000 6.17228e-07  -7.06027e+00 0.00000e+00 0.00000e+00 1.09699e+02 270.000 1.13790e+02 90.000  1.0000 
1 1 1 4  4  46 o 12 2.41873e+02 4.80446e+00 2.78640e+02 180.000 -1.42079e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.75267e+02 180.000 3.37271e+00 0.000   1.0000 
1 1 1 4  4  47 o 4  4.99067e+02 5.78122e+00 5.93937e+02 270.000 5.36352e-06  -6.13515e+01 0.00000e+00 0.00000e+00 5.44390e+02 270.000 4.95474e+01 90.000  1.0000 
1 1 1 4  4  48 o 11 4.52016e+01 1.53653e+01 7.97817e+01 180.000 -8.97770e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.34460e+00 0.000   8.61263e+01 0.000   0.7152 
1 1 1 4  4  49 o 18 1.92410e+02 4.68345e+00 1.23218e+02 270.000 4.98089e-07  -5.69747e+00 0.00000e+00 0.00000e+00 3.12022e+02 270.000 1.88804e+02 270.000 1.0000 
1 1 1 4  4  50 o 1  2.73284e+02 4.55443e+00 2.63232e+02 180.000 -2.40417e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.52329e+02 180.000 8.90969e+01 180.000 1.0000 
1 1 1 4  4  51 o 10 1.24787e+02 5.66354e+00 1.72727e+02 90.000  -6.20879e-07 7.10203e+00  0.00000e+00 0.00000e+00 1.07128e+02 90.000  6.55988e+01 270.000 1.0000 
1 1 1 4  4  52 o 4  3.40352e+01 1.57737e+01 3.75132e+01 180.000 -4.25987e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.96768e+00 0.000   4.44808e+01 0.000   0.4020 
1 1 1 4  4  53 o 1  1.14947e+02 8.33908e+00 1.70168e+02 90.000  4.04722e-16  6.60962e+00  0.00000e+00 0.00000e+00 8.53165e+01 90.000  8.48519e+01 270.000 1.0000 
1 1 1 4  4  54 o 16 2.25140e+01 1.38570e+01 2.28582e+01 180.000 -1.84891e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.37523e+01 0.000   3.66104e+01 0.000   0.1828 
1 1 1 4  4  55 o 8  1.00210e+02 6.63708e+00 1.23358e+02 270.000 -3.72550e-16 -6.08420e+00 0.00000e+00 0.00000e+00 9.73047e+01 270.000 2.60530e+01 90.000  1.0000 
1 1 1 4  4  56 o 19 2.41551e+01 1.43293e+01 5.19527e+01 0.000   5.34081e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.60938e+01 180.000 7.80464e+01 180.000 0.4885 
1 1 1 4  4  57 o 4  1.62252e+02 5.07992e+00 1.58968e+02 90.000  0.00000e+00  1.51305e+01  0.00000e+00 0.00000e+00 1.94878e+02 90.000  3.59107e+01 90.000  1.0000 
1 1 1 4  4  58 o 15 6.98263e+01 8.89336e+00 7.75231e+01 0.000   3.47602e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.37137e+01 0.000   3.80933e+00 180.000 0.9981 
1 1 1 4  4  59 o 11 1.37215e+02 6.49469e+00 9.62192e+01 90.000  -7.63698e-07 8.73569e+00  0.00000e+00 0.00000e+00 2.00044e+02 90.000  1.03825e+02 90.000  1.0000 
1 1 1 4  4  60 o 14 7.76871e+01 9.69625e+00 4.15563e+01 180.000 -2.06733e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.20062e+02 180.000 7.85062e+01 180.000 0.9685 
1 1 1 4  4  61 o 9  1.85787e+01 1.27254e+01 5.87547e+00 90.000  -6.75190e-09 7.72327e-02  0.00000e+00 0.00000e+00 2.81537e+00 270.000 8.69084e+00 270.000 0.0771 
1 1 1 4  4  62 o 17 3.44581e+01 1.73405e+01 2.67413e+01 180.000 -5.76904e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.13754e+01 180.000 1.53659e+01 0.000   0.5204 
1 1 1 4  4  63 o 3  5.88426e+01 1.50137e+01 7.67560e+01 90.000  2.03536e-16  3.32400e+00  0.00000e+00 0.00000e+00 4.73237e+01 90.000  2.94323e+01 270.000 0.9974 
1 1 1 4  4  64 o 7  4.73597e+01 1.60654e+01 6.28396e+01 0.000   2.30445e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.47742e+01 0.000   2.80655e+01 180.000 0.9803 
1 1 1 4  4  65 o 17 2.03882e+01 1.34857e+01 1.85064e+01 90.000  -2.89425e-08 3.31063e-01  0.00000e+00 0.00000e+00 4.88712e+00 270.000 2.33936e+01 270.000 0.3195 
1 1 1 4  4  66 o 16 7.51274e+01 9.80674e+00 6.29570e+01 180.000 -5.06802e+00 0.00000e+00  0.00000e+00 0.00000e+00 9.32315e+01 180.000 3.02745e+01 180.000 0.9999 
1 1 1 4  4  67 o 13 1.95905e+02 5.79284e+00 1.42316e+02 270.000 3.06522e-06  -3.50620e+01 0.00000e+00 0.00000e+00 2.62670e+02 270.000 1.20353e+02 270.000 1.0000 
1 1 1 4  4  68 f 0  2.56333e+01 1.55773e+01 2.90693e+01 0.000   7.42843e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.16617e+00 0.000   2.49031e+01 180.000 0.6309 
1 1 1 5  0  1  f 0  1.55787e+02 2.86812e+00 2.40088e+02 315.000 7.02757e-01  -7.02757e-01 0.00000e+00 0.00000e+00 5.62684e+01 315.000 1.83819e+02 135.000 0.7590 
1 1 1 5  0  2  o 11 2.69940e+02 3.55878e+00 3.81322e+02 180.000 -2.69360e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.88992e+02 180.000 9.23298e+01 0.000   0.9909 
1 1 1 5  0  3  o 9  7.72554e+02 6.80458e+00 9.48252e+02 45.000  1.32122e+01  1.32122e+01  0.00000e+00 0.00000e+00 9.87366e+02 45.000  3.91146e+01 45.000  1.0000 
1 1 1 5  0  4  o 10 6.52686e+01 4.75051e+00 1.48988e+02 90.000  -2.09949e-08 2.40153e-01  0.00000e+00 0.00000e+00 1.10465e+02 270.000 2.59453e+02 270.000 0.2356 
1 1 1 5  0  5  o 18 2.00360e+02 2.88689e+00 2.82312e+02 135.000 -9.49186e-01 9.49186e-01  0.00000e+00 0.00000e+00 1.55246e+02 135.000 1.27066e+02 315.000 0.8722 
1 1 1 5  0  6  o 13 6.82558e+02 6.49192e+00 7.55818e+02 0.000   1.16785e+01  0.00000e+00  0.00000e+00 0.00000e+00 9.52326e+02 0.000   1.96508e+02 0.000   1.0000 
1 1 1 5  0  7  o 8  1.37006e+01 9.03612e+00 7.12119e+01 225.000 -1.96863e-02 -1.96863e-02 0.00000e+00 0.00000e+00 7.02581e+01 45.000  1.41470e+02 45.000  0.0278 
1 1 1 5  0  8  o 11 3.93806e+02 4.12610e+00 4.65897e+02 270.000 4.34219e-07  -4.96689e+00 0.00000e+00 0.00000e+00 5.18344e+02 270.000 5.24471e+01 270.000 0.9999 
1 1 1 5  0  9  o 19 9.16747e+02 8.55307e+00 1.03576e+03 315.000 1.71347e+01  -1.71347e+01 0.00000e+00 0.00000e+00 1.25401e+03 315.000 2.18253e+02 315.000 1.0000 
1 1 1 5  0  10 o 11 6.72169e+01 5.34729e+00 1.65869e+02 0.000   2.68772e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.21837e+02 180.000 2.87706e+02 180.000 0.2625 
1 1 1 5  0  11 o 11 6.36503e+01 5.91225e+00 1.32391e+02 45.000  2.30185e-01  2.30185e-01  0.00000e+00 0.00000e+00 8.24784e+01 225.000 2.14870e+02 225.000 0.3145 
1 1 1 5  0  12 o 5  7.64319e+02 7.22131e+00 8.46078e+02 90.000  0.00000e+00  2.35388e+01  0.00000e+00 0.00000e+00 1.05779e+03 90.000  2.11711e+02 90.000  1.0000 
1 1 1 5  0  13 o 18 2.40309e+02 3.26358e+00 2.86723e+02 135.000 -1.67698e+00 1.67698e+00  0.00000e+00 0.00000e+00 3.00899e+02 135.000 1.41761e+01 135.000 0.9827 
1 1 1 5  0  14 o 16 2.86130e+02 3.46372e+00 3.59357e+02 0.000   5.07714e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.51722e+02 0.000   7.63409e+00 180.000 0.9999 
1 1 1 5  0  15 o 1  6.58679e+01 6.15164e+00 9.90355e+01 225.000 -2.15622e-01 -2.15622e-01 0.00000e+00 0.00000e+00 5.06684e+01 45.000  1.49704e+02 45.000  0.2958 
1 1 1 5  0  16 o 6  3.85991e+02 4.10131e+00 4.28107e+02 270.000 8.57519e-07  -9.80887e+00 0.00000e+00 0.00000e+00 5.28737e+02 270.000 1.00629e+02 270.000 1.0000 
1 1 1 5  0  17 o 15 2.19343e+01 1.16904e+01 2.08255e+01 135.000 -1.81006e-02 1.81006e-02  0.00000e+00 0.00000e+00 1.94359e+01 315.000 4.02614e+01 315.000 0.0256 
1 1 1 5  0  18 o 3  3.44135e+02 3.83496e+00 3.36940e+02 180.000 -8.46941e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.13647e+02 180.000 1.76707e+02 180.000 1.0000 
1 1 1 5  0  19 o 16 1.97784e+02 3.45670e+00 1.66891e+02 225.000 -1.63537e+00 -1.63537e+00 0.00000e+00 0.00000e+00 3.11713e+02 225.000 1.44822e+02 225.000 0.9806 
1 1 1 5  0  20 o 3  6.12931e+01 6.73845e+00 2.03577e+01 90.000  -8.18176e-09 9.35884e-02  0.00000e+00 0.00000e+00 6.26699e+00 270.000 2.66247e+01 270.000 0.0933 
1 1 1 5  0  21 o 6  4.28249e+02 4.79634e+00 4.67239e+02 135.000 -1.17671e+01 1.17671e+01  0.00000e+00 0.00000e+00 5.85922e+02 135.000 1.18683e+02 135.000 1.0000 
1 1 1 5  0  22 o 14 6.18625e+02 5.98491e+00 1.12614e+03 180.000 -5.57840e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.92375e+02 180.000 7.33767e+02 0.000   1.0000 
1 1 1 5  0  23 o 8  7.04454e+02 6.30222e+00 9.03932e+02 225.000 -4.39521e+01 -4.39521e+01 0.00000e+00 0.00000e+00 8.21913e+02 225.000 8.20199e+01 45.000  1.0000 
1 1 1 5  0  24 o 15 2.77755e+02 3.26502e+00 2.82338e+02 90.000  4.01037e-16  6.54944e+00  0.00000e+00 0.00000e+00 3.96755e+02 90.000  1.14417e+02 90.000  1.0000 
1 1 1 5  0  25 o 8  3.64189e+02 4.32547e+00 5.74559e+02 315.000 1.19611e+01  -1.19611e+01 0.00000e+00 0.00000e+00 3.13982e+02 315.000 2.60577e+02 135.000 1.0000 
1 1 1 5  0  26 o 9  1.12709e+02 3.49406e+00 1.49197e+02 180.000 -1.28676e+00 0.00000e+00  0.00000e+00 0.00000e+00 8.62978e+01 180.000 6.28991e+01 0.000   0.8583 
1 1 1 5  0  27 o 2  8.51233e+01 5.82403e+00 2.93377e+02 225.000 -1.56131e+00 -1.56131e+00 0.00000e+00 0.00000e+00 9.15604e+01 45.000  3.84937e+02 45.000  0.9761 
1 1 1 5  0  28 o 17 4.93081e+02 4.65036e+00 6.79667e+02 270.000 2.47017e-06  -2.82555e+01 0.00000e+00 0.00000e+00 5.15120e+02 270.000 1.64547e+02 90.000  1.0000 
1 1 1 5  0  29 o 5  1.41052e+02 2.96465e+00 2.35328e+02 135.000 -1.90750e+00 1.90750e+00  0.00000e+00 0.00000e+00 1.02536e+02 135.000 1.32792e+02 315.000 0.9910 
1 1 1 5  0  30 f 0  4.89973e+02 5.01274e+00 7.80894e+02 180.000 -2.56970e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.00435e+02 180.000 3.80459e+02 0.000   1.0000 
1 1 1 5  0  31 o 2  2.82936e+02 4.04757e+00 4.36215e+02 45.000  6.92204e+00  6.92204e+00  0.00000e+00 0.00000e+00 2.44153e+02 45.000  1.92061e+02 225.000 1.0000 
1 1 1 5  0  32 o 17 1.44314e+02 6.36090e+00 1.96935e+02 90.000  -1.60895e-07 1.84043e+00  0.00000e+00 0.00000e+00 1.32137e+02 90.000  6.47985e+01 270.000 0.9508 
1 1 1 5  0  33 o 16 3.30344e+02 5.66159e+00 3.81180e+02 135.000 -7.35109e+00 7.35109e+00  0.00000e+00 0.00000e+00 4.08814e+02 135.000 2.76343e+01 135.000 1.0000 
1 1 1 5  0  34 o 5  9.80334e+02 1.22685e+01 1.18516e+03 0.000   8.76397e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.15248e+03 0.000   3.26759e+01 180.000 1.0000 
1 1 1 5  0  35 o 18 4.48681e+02 6.57622e+00 4.86635e+02 225.000 -1.40188e+01 -1.40188e+01 0.00000e+00 0.00000e+00 5.80078e+02 225.000 9.34422e+01 225.000 1.0000 
1 1 1 5  0  36 o 12 7.40486e+01 1.44315e+01 1.75326e+02 90.000  -1.10733e-07 1.26664e+00  0.00000e+00 0.00000e+00 2.56382e+01 270.000 2.00964e+02 270.000 0.8529 
1 1 1 5  0  37 o 7  3.73585e+02 6.09151e+00 3.03733e+02 315.000 7.74448e+00  -7.74448e+00 0.00000e+00 0.00000e+00 5.78945e+02 315.000 2.75212e+02 315.000 1.0000 
1 1 1 5  0  38 o 6  2.78225e+02 5.81870e+00 3.38147e+02 0.000   9.35616e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.17097e+02 0.000   2.10501e+01 180.000 1.0000 
1 1 1 5  0  39 o 10 1.54665e+02 6.29693e+00 1.34509e+02 45.000  1.67866e+00  1.67866e+00  0.00000e+00 0.00000e+00 2.22292e+02 45.000  8.77826e+01 45.000  0.9828 
1 1 1 5  0  40 o 11 1.50844e+02 6.07542e+00 4.75619e+01 270.000 -5.52528e-17 -9.02347e-01 0.00000e+00 0.00000e+00 2.05600e+02 270.000 1.58038e+02 270.000 0.7174 
1 1 1 5  0  41 o 6  4.27011e+02 8.05552e+00 5.17144e+02 315.000 2.00290e+01  -2.00290e+01 0.00000e+00 0.00000e+00 4.78276e+02 315.000 3.88681e+01 135.000 1.0000 
1 1 1 5  0  42 o 12 1.53020e+02 6.19291e+00 1.58726e+02 180.000 -3.54707e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.96118e+02 180.000 3.73921e+01 180.000 0.9983 
1 1 1 5  0  43 o 9  8.61108e+01 1.11789e+01 4.51697e+01 45.000  4.49804e-01  4.49804e-01  0.00000e+00 0.00000e+00 6.68794e+01 45.000  2.17097e+01 45.000  0.5623 
1 1 1 5  0  45 o 8  1.56994e+01 1.12243e+01 2.42823e+01 315.000 5.01458e-02  -5.01458e-02 0.00000e+00 0.00000e+00 2.17295e+01 135.000 4.60118e+01 135.000 0.0708 
1 1 1 5  0  46 o 4  3.09590e+02 7.06495e+00 2.94191e+02 180.000 -1.93050e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.14089e+02 180.000 1.19897e+02 180.000 1.0000 
1 1 1 5  0  47 o 15 9.46824e+01 8.18785e+00 2.01474e+02 225.000 -2.80893e+00 -2.80893e+00 0.00000e+00 0.00000e+00 1.41195e+01 225.000 1.87355e+02 45.000  0.9993 
1 1 1 5  0  48 o 2  2.28556e+01 1.45452e+01 1.39718e+02 270.000 6.13661e-08  -7.01946e-01 0.00000e+00 0.00000e+00 1.08308e+02 90.000  2.48026e+02 90.000  0.6056 
1 1 1 5  0  49 o 2  3.18075e+02 4.94913e+00 3.06091e+02 315.000 1.67505e+01  -1.67505e+01 0.00000e+00 0.00000e+00 4.12708e+02 315.000 1.06617e+02 315.000 1.0000 
1 1 1 5  0  50 o 17 3.53720e+01 1.72189e+01 1.14566e+02 0.000   1.18381e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.86103e+01 180.000 1.63177e+02 180.000 0.8287 
1 1 1 5  0  51 o 11 1.37461e+02 6.16042e+00 8.89277e+01 45.000  2.87433e+00  2.87433e+00  0.00000e+00 0.00000e+00 2.18864e+02 45.000  1.29936e+02 45.000  0.9994 
1 1 1 5  0  52 o 15 2.18438e+02 5.04377e+00 2.09447e+02 270.000 1.32922e-06  -1.52046e+01 0.00000e+00 0.00000e+00 2.77779e+02 270.000 6.83317e+01 270.000 1.0000 
1 1 1 5  0  53 o 14 1.05248e+02 7.55632e+00 9.89188e+01 135.000 -2.52665e+00 2.52665e+00  0.00000e+00 0.00000e+00 1.34409e+02 135.000 3.54901e+01 135.000 0.9984 
1 1 1 5  0  54 o 7  2.06918e+02 5.90479e+00 1.44056e+02 0.000   1.28344e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.13273e+02 0.000   1.69217e+02 0.000   1.0000 
1 1 1 5  0  55 o 4  9.69286e+01 7.90674e+00 1.45605e+02 225.000 -4.68053e+00 -4.68053e+00 0.00000e+00 0.00000e+00 6.76200e+01 225.000 7.79852e+01 45.000  1.0000 
1 1 1 5  0  56 o 9  1.71082e+01 1.21217e+01 6.09427e+01 270.000 4.02580e-08  -4.60498e-01 0.00000e+00 0.00000e+00 4.48186e+01 90.000  1.05761e+02 90.000  0.4305 
1 1 1 5  0  57 f 0  1.84669e+01 1.25591e+01 1.57611e+01 315.000 1.04315e-01  -1.04315e-01 0.00000e+00 0.00000e+00 9.86839e+00 135.000 2.56295e+01 135.000 0.1465 
1 1 1 5  0  59 o 5  1.19416e+02 6.92944e+00 1.45507e+02 45.000  8.16646e+00  8.16646e+00  0.00000e+00 0.00000e+00 1.12070e+02 45.000  3.34367e+01 225.000 1.0000 
1 1 1 5  0  60 o 6  1.51557e+02 5.76275e+00 7.53050e+01 270.000 0.00000e+00  -7.15041e+00 0.00000e+00 0.00000e+00 2.49926e+02 270.000 1.74621e+02 270.000 1.0000 
1 1 1 5  0  61 o 17 1.50810e+02 6.52171e+00 1.46804e+02 135.000 -1.06946e+01 1.06946e+01  0.00000e+00 0.00000e+00 1.75138e+02 135.000 2.83338e+01 135.000 1.0000 
1 1 1 5  0  62 f 0  1.05162e+02 8.27595e+00 5.52184e+01 0.000   4.39783e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.68021e+02 0.000   1.12802e+02 0.000   0.9997 
1 1 1 5  0  63 o 13 2.16576e+01 1.42837e+01 6.89089e+00 225.000 -7.97611e-02 -7.97611e-02 0.00000e+00 0.00000e+00 1.75302e+00 45.000  8.64392e+00 45.000  0.1123 
1 1 1 5  0  64 o 3  3.96455e+01 1.83334e+01 1.42276e+01 90.000  -3.32323e-08 3.80134e-01  0.00000e+00 0.00000e+00 1.59868e+01 90.000  1.75922e+00 90.000  0.3628 
1 1 1 5  0  65 o 8  6.05265e+01 1.62772e+01 7.14734e+01 135.000 -2.50947e+00 2.50947e+00  0.00000e+00 0.00000e+00 5.47484e+01 135.000 1.67250e+01 315.000 0.9983 
1 1 1 5  0  66 o 13 2.01333e+01 1.37818e+01 9.05763e+00 180.000 -1.78021e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.69070e+00 0.000   1.07483e+01 0.000   0.1762 
1 1 1 5  0  67 o 6  7.88310e+01 1.18871e+01 7.00507e+01 225.000 -4.33405e+00 -4.33405e+00 0.00000e+00 0.00000e+00 9.27493e+01 225.000 2.26986e+01 225.000 1.0000 
1 1 1 5  0  68 o 18 6.22052e+01 1.44639e+01 7.01004e+01 90.000  -3.95764e-07 4.52701e+00  0.00000e+00 0.00000e+00 5.75898e+01 90.000  1.25106e+01 270.000 0.9998 
1 1 1 5  1  0  f 0  1.97515e+02 2.85889e+00 3.36469e+02 180.000 -1.71788e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.27770e+02 180.000 2.08699e+02 0.000   0.9376 
1 1 1 5  1  1  o 11 4.86148e+02 3.20917e+00 4.40552e+02 161.218 -1.04275e+01 3.54612e+00  0.00000e+00 0.00000e+00 7.21365e+02 161.218 2.80813e+02 161.218 0.9535 
1 1 1 5  1  2  o 10 4.49643e+02 3.01148e+00 5.92190e+02 289.924 4.59951e+00  -1.26897e+01 0.00000e+00 0.00000e+00 4.92199e+02 289.924 9.99904e+01 109.924 0.9622 
1 1 1 5  1  3  o 4  4.29954e+02 2.91485e+00 6.55014e+02 0.460   1.39444e+01  1.11998e-01  0.00000e+00 0.00000e+00 3.83000e+02 0.460   2.72015e+02 180.460 0.9634 
1 1 1 5  1  4  o 18 4.79553e+02 3.17419e+00 4.88866e+02 277.494 1.46683e+00  -1.11499e+01 0.00000e+00 0.00000e+00 6.57731e+02 277.494 1.68865e+02 277.494 0.9544 
1 1 1 5  1  5  o 4  4.45496e+02 3.20092e+00 6.46543e+02 341.739 1.26239e+01  -4.16537e+00 0.00000e+00 0.00000e+00 4.26211e+02 341.739 2.20331e+02 161.739 0.9616 
1 1 1 5  1  6  o 10 5.56323e+02 3.84470e+00 8.45860e+02 60.100  1.37564e+01  2.39233e+01  0.00000e+00 0.00000e+00 5.21106e+02 60.100  3.24754e+02 240.100 0.9817 
1 1 1 5  1  7  o 17 2.31882e+02 2.34246e+00 2.70686e+02 275.221 3.18975e-01  -3.49051e+00 0.00000e+00 0.00000e+00 2.17354e+02 275.221 5.33320e+01 95.221  0.8414 
1 1 1 5  1  8  o 8  2.37894e+02 2.34828e+00 2.05500e+02 306.758 1.54927e+00  -2.07415e+00 0.00000e+00 0.00000e+00 2.55001e+02 306.758 4.95011e+01 306.758 0.7743 
1 1 1 5  1  9  o 3  3.27578e+02 2.70929e+00 5.27947e+02 140.928 -6.72672e+00 5.46123e+00  0.00000e+00 0.00000e+00 2.41585e+02 140.928 2.86362e+02 320.928 0.9404 
1 1 1 5  1  10 o 2  5.12664e+02 3.47956e+00 7.67527e+02 269.548 -2.49877e-01 -3.16687e+01 0.00000e+00 0.00000e+00 4.91724e+02 269.548 2.75802e+02 89.548  0.9841 
1 1 1 5  1  11 o 3  1.52756e+02 2.20772e+00 3.21477e+02 347.414 3.64488e+00  -8.13795e-01 0.00000e+00 0.00000e+00 3.26399e+00 347.414 3.18213e+02 167.414 0.8525 
1 1 1 5  1  12 o 4  8.46895e+02 5.44377e+00 1.18352e+03 304.778 4.09730e+01  -5.90016e+01 0.00000e+00 0.00000e+00 9.11599e+02 304.778 2.71922e+02 124.778 0.9930 
1 1 1 5  1  13 o 8  6.36723e+02 4.37693e+00 8.23354e+02 315.423 3.83779e+01  -3.78158e+01 0.00000e+00 0.00000e+00 7.46422e+02 315.423 7.69322e+01 135.423 0.9907 
1 1 1 5  1  14 o 3  4.65446e+02 3.29283e+00 5.32941e+02 339.533 2.26589e+01  -8.45706e+00 0.00000e+00 0.00000e+00 5.99843e+02 339.533 6.69021e+01 339.533 0.9791 
1 1 1 5  1  15 o 14 9.33294e+01 3.07113e+00 1.07364e+02 303.388 5.10504e-01  -7.74561e-01 0.00000e+00 0.00000e+00 1.00106e+01 123.388 1.17375e+02 123.388 0.4202 
1 1 1 5  1  16 o 4  6.32632e+02 4.66157e+00 6.90122e+02 129.747 -3.27534e+01 3.93854e+01  0.00000e+00 0.00000e+00 8.62964e+02 129.747 1.72842e+02 129.747 0.9902 
1 1 1 5  1  17 o 19 6.12602e+02 4.37183e+00 7.80528e+02 151.682 -4.70864e+01 2.53721e+01  0.00000e+00 0.00000e+00 7.21878e+02 151.682 5.86500e+01 331.682 0.9906 
1 1 1 5  1  18 o 17 3.83762e+02 3.46075e+00 4.94146e+02 126.013 -1.61549e+01 2.22247e+01  0.00000e+00 0.00000e+00 4.37092e+02 126.013 5.70540e+01 306.013 0.9816 
1 1 1 5  1  19 o 2  1.88100e+02 2.51284e+00 4.10382e+02 161.894 -1.02140e+01 3.33971e+00  0.00000e+00 0.00000e+00 3.17053e+01 161.894 3.78676e+02 341.894 0.9523 
1 1 1 5  1  20 f 0  3.91129e+01 6.95080e+00 2.24110e+02 225.974 -9.04013e-01 -9.35272e-01 0.00000e+00 0.00000e+00 1.71792e+02 45.974  3.95902e+02 45.974  0.5429 
1 1 1 5  1  21 o 17 8.55582e+01 3.41610e+00 2.00620e+02 284.612 7.16319e-01  -2.74758e+00 0.00000e+00 0.00000e+00 3.28232e+01 104.612 2.33443e+02 104.612 0.7974 
1 1 1 5  1  22 o 17 1.24220e+02 2.57641e+00 2.30581e+02 265.884 -3.28402e-01 -4.56321e+00 0.00000e+00 0.00000e+00 3.85468e+01 265.884 1.92035e+02 85.884  0.8825 
1 1 1 5  1  23 o 4  3.38297e+02 2.78841e+00 4.77068e+02 358.416 3.14356e+01  -8.69368e-01 0.00000e+00 0.00000e+00 3.38558e+02 358.416 1.38510e+02 178.416 0.9840 
1 1 1 5  1  24 o 3  2.32651e+02 2.87305e+00 4.15888e+02 54.715  9.29249e+00  1.31315e+01  0.00000e+00 0.00000e+00 1.35035e+02 54.715  2.80853e+02 234.715 0.9684 
1 1 1 5  1  25 o 11 3.42106e+02 2.73661e+00 2.99382e+02 340.529 1.55616e+01  -5.50168e+00 0.00000e+00 0.00000e+00 5.09703e+02 340.529 2.10322e+02 340.529 0.9692 
1 1 1 5  1  26 o 12 2.16638e+02 2.47112e+00 1.89249e+02 177.836 -6.24669e+00 2.36083e-01  0.00000e+00 0.00000e+00 2.93955e+02 177.836 1.04706e+02 177.836 0.9161 
1 1 1 5  1  27 o 14 2.85177e+02 2.69305e+00 4.33836e+02 204.178 -1.99234e+01 -8.94459e+00 0.00000e+00 0.00000e+00 2.42866e+02 204.178 1.90971e+02 24.178  0.9768 
1 1 1 5  1  28 o 14 1.04412e+02 3.43195e+00 3.29118e+02 164.192 -5.55154e+00 1.57177e+00  0.00000e+00 0.00000e+00 9.92016e+01 344.192 4.28319e+02 344.192 0.9086 
1 1 1 5  1  29 o 14 4.39304e+02 3.49773e+00 6.76897e+02 109.669 -1.39065e+01 3.89052e+01  0.00000e+00 0.00000e+00 3.72186e+02 109.669 3.04711e+02 289.669 0.9878 
1 1 1 5  1  30 o 16 2.91316e+02 2.82678e+00 4.02508e+02 321.212 1.22411e+01  -9.83784e+00 0.00000e+00 0.00000e+00 2.77210e+02 321.212 1.25299e+02 141.212 0.9676 
1 1 1 5  1  31 o 10 5.14960e+02 3.95171e+00 6.44250e+02 68.137  1.95038e+01  4.86080e+01  0.00000e+00 0.00000e+00 5.82355e+02 68.137  6.18948e+01 248.137 0.9904 
1 1 1 5  1  32 o 2  7.19998e+02 4.94519e+00 8.75139e+02 295.538 3.50335e+01  -7.33230e+01 0.00000e+00 0.00000e+00 8.41109e+02 295.538 3.40294e+01 115.538 0.9938 
1 1 1 5  1  33 o 9  4.53860e+02 3.53637e+00 5.65825e+02 346.905 4.11785e+01  -9.57893e+00 0.00000e+00 0.00000e+00 5.06789e+02 346.905 5.90366e+01 166.905 0.9881 
1 1 1 5  1  34 o 10 7.53880e+01 4.17205e+00 9.62300e+01 214.351 -9.09849e-01 -6.21855e-01 0.00000e+00 0.00000e+00 9.68152e+00 34.351  1.05911e+02 34.351  0.4814 
1 1 1 5  1  35 o 11 1.60661e+02 2.63642e+00 2.00159e+02 121.044 -3.01087e+00 5.00227e+00  0.00000e+00 0.00000e+00 1.47389e+02 121.044 5.27704e+01 301.044 0.9098 
1 1 1 5  1  36 o 3  2.72488e+02 2.80080e+00 2.03267e+02 36.934  8.81008e+00  6.62290e+00  0.00000e+00 0.00000e+00 4.12630e+02 36.934  2.09363e+02 36.934  0.9535 
1 1 1 5  1  37 o 1  3.65104e+02 2.98093e+00 3.83443e+02 205.907 -2.42879e+01 -1.17971e+01 0.00000e+00 0.00000e+00 4.63187e+02 205.907 7.97435e+01 205.907 0.9813 
1 1 1 5  1  38 o 2  6.46870e+02 4.69037e+00 6.22199e+02 80.886  1.40442e+01  8.75408e+01  0.00000e+00 0.00000e+00 8.92835e+02 80.886  2.70636e+02 80.886  0.9943 
1 1 1 5  1  39 o 12 4.04101e+02 3.50590e+00 4.67999e+02 5.452   4.29299e+01  4.09716e+00  0.00000e+00 0.00000e+00 4.69609e+02 5.452   1.60976e+00 5.452   0.9883 
1 1 1 5  1  40 o 15 4.02338e+02 3.74609e+00 4.67412e+02 17.381  4.50817e+01  1.41111e+01  0.00000e+00 0.00000e+00 4.63891e+02 17.381  3.52142e+00 197.381 0.9894 
1 1 1 5  1  42 o 16 3.53430e+02 3.59554e+00 3.14961e+02 238.133 -1.71600e+01 -2.76037e+01 0.00000e+00 0.00000e+00 4.93372e+02 238.133 1.78411e+02 238.133 0.9845 
1 1 1 5  1  43 o 10 2.67068e+02 3.63423e+00 2.14709e+02 350.377 1.80320e+01  -3.05728e+00 0.00000e+00 0.00000e+00 3.86311e+02 350.377 1.71603e+02 350.377 0.9723 
1 1 1 5  1  45 o 13 2.85475e+02 3.59665e+00 2.24514e+02 24.287  2.21631e+01  1.00009e+01  0.00000e+00 0.00000e+00 4.17627e+02 24.287  1.93112e+02 24.287  0.9792 
1 1 1 5  1  46 o 6  1.35779e+02 4.68348e+00 2.02237e+02 48.562  7.71831e+00  8.74289e+00  0.00000e+00 0.00000e+00 9.48084e+01 48.562  1.07429e+02 228.562 0.9561 
1 1 1 5  1  47 o 11 2.65223e+02 3.41634e+00 2.62669e+02 252.840 -8.63267e+00 -2.79567e+01 0.00000e+00 0.00000e+00 3.31344e+02 252.840 6.86750e+01 252.840 0.9828 
1 1 1 5  1  48 o 4  3.08374e+02 3.48180e+00 2.75422e+02 19.409  3.68740e+01  1.29922e+01  0.00000e+00 0.00000e+00 4.15468e+02 19.409  1.40046e+02 19.409  0.9871 
1 1 1 5  1  49 o 4  9.55333e+01 5.54184e+00 1.19527e+02 122.150 -2.92176e+00 4.64864e+00  0.00000e+00 0.00000e+00 7.55877e+01 122.150 4.39396e+01 302.150 0.9036 
1 1 1 5  1  50 o 5  3.07678e+02 3.50636e+00 2.85704e+02 205.090 -5.09905e+01 -2.38745e+01 0.00000e+00 0.00000e+00 4.00560e+02 205.090 1.14856e+02 205.090 0.9911 
1 1 1 5  1  51 f 0  5.11458e+01 9.21380e+00 1.96412e+01 230.451 -4.04861e-01 -4.90282e-01 0.00000e+00 0.00000e+00 1.50686e+01 230.451 4.57263e+00 50.451  0.3029 
1 1 1 5  1  52 o 11 5.33404e+01 9.05991e+00 9.61169e+01 8.174   3.20324e+00  4.60136e-01  0.00000e+00 0.00000e+00 2.17467e+00 8.174   9.39423e+01 188.174 0.8260 
1 1 1 5  1  53 o 4  6.23785e+01 7.81587e+00 7.06815e+01 292.373 1.12238e+00  -2.72676e+00 0.00000e+00 0.00000e+00 4.09873e+01 292.373 2.96941e+01 112.373 0.8061 
1 1 1 5  1  54 o 11 5.19129e+01 9.39046e+00 3.33888e+01 193.016 -1.36069e+00 -3.14548e-01 0.00000e+00 0.00000e+00 3.19643e+01 193.016 1.42455e+00 13.016  0.5695 
1 1 1 5  1  55 o 3  1.09650e+02 4.89306e+00 1.20536e+02 151.355 -1.09477e+01 5.97995e+00  0.00000e+00 0.00000e+00 1.10829e+02 151.355 9.70729e+00 331.355 0.9590 
1 1 1 5  1  56 o 16 7.98697e+01 6.66010e+00 8.55345e+01 16.769  5.93714e+00  1.78903e+00  0.00000e+00 0.00000e+00 7.45503e+01 16.769  1.09842e+01 196.769 0.9154 
1 1 1 5  1  57 o 3  5.54424e+01 9.11627e+00 5.26748e+01 120.750 -1.50471e+00 2.52922e+00  0.00000e+00 0.00000e+00 4.46579e+01 120.750 8.01690e+00 300.750 0.8057 
1 1 1 5  1  59 f 0  7.44524e+01 6.81355e+00 9.18376e+01 59.475  4.46742e+00  7.57666e+00  0.00000e+00 0.00000e+00 5.93509e+01 59.475  3.24867e+01 239.475 0.9413 
1 1 1 5  1  60 o 4  1.31614e+02 4.89934e+00 1.31496e+02 258.377 -4.64533e+00 -2.25849e+01 0.00000e+00 0.00000e+00 1.44785e+02 258.377 1.32890e+01 258.377 0.9781 
1 1 1 5  1  61 o 7  1.22787e+02 5.25653e+00 1.29172e+02 95.670  -2.11889e+00 2.13399e+01  0.00000e+00 0.00000e+00 1.26799e+02 95.670  2.37383e+00 275.670 0.9764 
1 1 1 5  1  62 o 11 1.35600e+02 4.96532e+00 1.64964e+02 351.327 3.39801e+01  -5.18357e+00 0.00000e+00 0.00000e+00 1.18799e+02 351.327 4.61656e+01 171.327 0.9853 
1 1 1 5  1  63 f 0  3.25341e+01 9.77645e+00 8.63848e+01 324.697 3.49962e+00  -2.47813e+00 0.00000e+00 0.00000e+00 2.63374e+01 144.697 1.12722e+02 144.697 0.8738 
1 1 1 5  1  64 o 19 6.46564e+01 9.44458e+00 3.01592e+01 48.337  1.96471e+00  2.20800e+00  0.00000e+00 0.00000e+00 7.94080e+01 48.337  4.92488e+01 48.337  0.8066 
1 1 1 5  1  65 o 15 6.32792e+01 9.27783e+00 3.01336e+01 246.486 -1.35473e+00 -3.11363e+00 0.00000e+00 0.00000e+00 8.03136e+01 246.486 5.01800e+01 246.486 0.8355 
1 1 1 5  1  66 o 11 9.69553e+01 6.42375e+00 7.26222e+01 135.253 -1.09460e+01 1.08497e+01  0.00000e+00 0.00000e+00 1.22142e+02 135.253 4.95201e+01 135.253 0.9670 
1 1 1 5  1  67 o 6  9.72732e+01 6.22047e+00 7.02889e+01 69.483  5.73470e+00  1.53242e+01  0.00000e+00 0.00000e+00 1.24388e+02 69.483  5.40992e+01 69.483  0.9689 
1 1 1 5  1  68 o 17 2.78267e+01 8.94279e+00 2.07318e+01 111.967 -4.72506e-01 1.17141e+00  0.00000e+00 0.00000e+00 9.66189e+00 111.967 1.10699e+01 291.967 0.5319 
1 1 1 5  2  0  o 12 3.36267e+02 3.52248e+00 2.20269e+02 0.000   1.75019e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.73627e+02 0.000   3.53358e+02 0.000   0.9414 
1 1 1 5  2  1  o 14 6.55147e+02 4.15496e+00 8.50953e+02 325.718 2.16619e+01  -1.47668e+01 0.00000e+00 0.00000e+00 7.60361e+02 325.718 9.05921e+01 145.718 0.9807 
1 1 1 5  2  2  o 2  4.57097e+02 3.41282e+00 6.43919e+02 330.554 1.19045e+01  -6.72037e+00 0.00000e+00 0.00000e+00 4.59475e+02 330.554 1.84444e+02 150.554 0.9627 
1 1 1 5  2  3  o 10 9.98984e+02 7.10349e+00 1.17332e+03 113.696 -2.13832e+01 4.87210e+01  0.00000e+00 0.00000e+00 1.30739e+03 113.696 1.34069e+02 113.696 0.9906 
1 1 1 5  2  4  o 13 1.18311e+02 2.58715e+00 1.27201e+02 270.112 1.72538e-03  -8.85001e-01 0.00000e+00 0.00000e+00 7.36504e+00 90.112  1.34566e+02 90.112  0.4042 
1 1 1 5  2  5  o 11 4.23514e+02 3.51297e+00 5.68738e+02 264.172 -1.38846e+00 -1.36042e+01 0.00000e+00 0.00000e+00 4.52678e+02 264.172 1.16060e+02 84.172  0.9627 
1 1 1 5  2  6  f 0  4.39022e+02 3.43385e+00 5.21725e+02 250.521 -4.16559e+00 -1.17767e+01 0.00000e+00 0.00000e+00 5.32617e+02 250.521 1.08921e+01 250.521 0.9591 
1 1 1 5  2  7  o 18 1.46257e+02 2.44542e+00 2.11478e+02 274.667 1.31331e-01  -1.60857e+00 0.00000e+00 0.00000e+00 1.65731e+01 274.667 1.94905e+02 94.668  0.6231 
1 1 1 5  2  8  o 17 3.79107e+02 2.87675e+00 4.59201e+02 228.420 -5.74588e+00 -6.47621e+00 0.00000e+00 0.00000e+00 4.32367e+02 228.420 2.68340e+01 48.420  0.9403 
1 1 1 5  2  9  o 11 8.16683e+02 5.25894e+00 9.67074e+02 128.587 -3.95479e+01 4.95638e+01  0.00000e+00 0.00000e+00 1.05777e+03 128.587 9.06912e+01 128.587 0.9921 
1 1 1 5  2  10 o 14 5.07480e+02 3.72817e+00 7.17574e+02 250.135 -9.44455e+00 -2.61407e+01 0.00000e+00 0.00000e+00 5.26638e+02 250.135 1.90936e+02 70.135  0.9818 
1 1 1 5  2  11 o 7  7.28179e+02 4.73443e+00 9.32336e+02 227.875 -3.29503e+01 -3.64345e+01 0.00000e+00 0.00000e+00 8.65755e+02 227.875 6.65800e+01 47.875  0.9898 
1 1 1 5  2  12 o 1  2.04038e+02 2.45336e+00 1.12086e+02 244.565 -6.75253e-01 -1.41984e+00 0.00000e+00 0.00000e+00 1.99893e+02 244.565 8.78067e+01 244.565 0.6135 
1 1 1 5  2  13 o 9  5.99829e+01 4.06856e+00 1.28702e+02 167.951 -7.46802e-01 1.59407e-01  0.00000e+00 0.00000e+00 7.54718e+01 347.951 2.04173e+02 347.951 0.3564 
1 1 1 5  2  14 o 18 1.14845e+02 2.80221e+00 1.80475e+02 224.357 -1.39607e+00 -1.36507e+00 0.00000e+00 0.00000e+00 1.65337e+01 224.357 1.63941e+02 44.357  0.6898 
1 1 1 5  2  15 o 15 4.93339e+02 3.77060e+00 6.62938e+02 41.194  2.94574e+01  2.57822e+01  0.00000e+00 0.00000e+00 5.46593e+02 41.194  1.16345e+02 221.194 0.9871 
1 1 1 5  2  16 f 0  1.66305e+02 2.41485e+00 6.33977e+01 236.955 -6.57300e-01 -1.01043e+00 0.00000e+00 0.00000e+00 1.48811e+02 236.955 8.54135e+01 236.955 0.5145 
1 1 1 5  2  17 o 7  3.06223e+02 2.79150e+00 2.98145e+02 70.193  4.57444e+00  1.27011e+01  0.00000e+00 0.00000e+00 4.31654e+02 70.193  1.33509e+02 70.193  0.9622 
1 1 1 5  2  18 o 14 5.13385e+01 5.10543e+00 2.20926e+02 217.240 -1.27767e+00 -9.71227e-01 0.00000e+00 0.00000e+00 1.42080e+02 37.241  3.63006e+02 37.241  0.6210 
1 1 1 5  2  19 o 1  2.86145e+02 2.84065e+00 4.90434e+02 332.018 1.89151e+01  -1.00496e+01 0.00000e+00 0.00000e+00 1.99399e+02 332.018 2.91035e+02 152.018 0.9764 
1 1 1 5  2  20 o 15 1.26976e+02 3.27149e+00 3.22432e+02 193.567 -5.84244e+00 -1.40989e+00 0.00000e+00 0.00000e+00 3.68198e+01 13.567  3.59252e+02 13.567  0.9125 
1 1 1 5  2  21 o 10 1.20669e+02 3.40844e+00 2.46993e+02 244.174 -2.11421e+00 -4.36840e+00 0.00000e+00 0.00000e+00 1.72248e+01 244.174 2.29768e+02 64.174  0.8899 
1 1 1 5  2  22 o 12 4.26557e+02 3.41910e+00 3.90159e+02 239.541 -1.67825e+01 -2.85382e+01 0.00000e+00 0.00000e+00 6.41545e+02 239.541 2.51386e+02 239.541 0.9848 
1 1 1 5  2  23 o 16 2.11096e+02 2.41599e+00 3.41007e+02 255.658 -3.42783e+00 -1.34071e+01 0.00000e+00 0.00000e+00 1.57390e+02 255.658 1.83617e+02 75.658  0.9632 
1 1 1 5  2  24 o 2  2.98089e+02 2.83378e+00 3.01270e+02 41.502  1.10522e+01  9.77896e+00  0.00000e+00 0.00000e+00 4.02797e+02 41.502  1.01527e+02 41.502  0.9655 
1 1 1 5  2  25 o 10 2.54466e+02 2.51254e+00 3.39152e+02 115.457 -5.77794e+00 1.21371e+01  0.00000e+00 0.00000e+00 2.58470e+02 115.457 8.06823e+01 295.457 0.9621 
1 1 1 5  2  26 o 13 4.80265e+02 3.35240e+00 5.21065e+02 337.750 3.48987e+01  -1.42773e+01 0.00000e+00 0.00000e+00 6.33147e+02 337.750 1.12081e+02 337.750 0.9866 
1 1 1 5  2  27 o 4  4.60015e+02 3.62206e+00 5.69846e+02 249.383 -1.60901e+01 -4.27687e+01 0.00000e+00 0.00000e+00 5.35801e+02 249.383 3.40451e+01 69.383  0.9890 
1 1 1 5  2  28 o 12 3.43917e+02 2.60150e+00 4.41582e+02 42.493  1.85948e+01  1.70349e+01  0.00000e+00 0.00000e+00 3.75536e+02 42.493  6.60458e+01 222.493 0.9800 
1 1 1 5  2  29 o 6  4.78041e+02 3.23474e+00 5.15825e+02 254.922 -8.81287e+00 -3.27126e+01 0.00000e+00 0.00000e+00 6.23137e+02 254.922 1.07312e+02 254.922 0.9851 
1 1 1 5  2  30 o 3  3.19436e+02 3.39942e+00 3.33108e+02 326.556 1.43917e+01  -9.50529e+00 0.00000e+00 0.00000e+00 4.14809e+02 326.556 8.17012e+01 326.556 0.9706 
1 1 1 5  2  31 o 16 1.32509e+02 3.09993e+00 1.40914e+02 234.937 -1.42576e+00 -2.03146e+00 0.00000e+00 0.00000e+00 1.02349e+02 234.937 3.85655e+01 54.937  0.7630 
1 1 1 5  2  32 o 12 4.05102e+02 3.40034e+00 4.01272e+02 236.425 -1.52495e+01 -2.29741e+01 0.00000e+00 0.00000e+00 5.52983e+02 236.425 1.51711e+02 236.425 0.9817 
1 1 1 5  2  33 o 17 5.41450e+02 4.01482e+00 4.88859e+02 153.694 -3.71516e+01 1.83660e+01  0.00000e+00 0.00000e+00 7.90992e+02 153.694 3.02132e+02 153.694 0.9879 
1 1 1 5  2  34 o 2  8.27241e+01 4.58763e+00 6.22421e+01 219.449 -7.41672e-01 -6.10285e-01 0.00000e+00 0.00000e+00 2.30637e+01 219.449 3.91785e+01 39.449  0.4322 
1 1 1 5  2  35 o 15 2.09005e+02 2.90959e+00 1.73974e+02 64.440  3.20818e+00  6.70797e+00  0.00000e+00 0.00000e+00 2.88453e+02 64.440  1.14479e+02 64.440  0.9301 
1 1 1 5  2  36 o 3  3.79474e+02 3.16013e+00 5.24756e+02 76.880  8.98180e+00  3.85361e+01  0.00000e+00 0.00000e+00 3.63730e+02 76.880  1.61026e+02 256.880 0.9873 
1 1 1 5  2  37 o 6  3.19906e+02 2.93007e+00 4.46451e+02 96.470  -3.29215e+00 2.90296e+01  0.00000e+00 0.00000e+00 2.96770e+02 96.470  1.49681e+02 276.470 0.9827 
1 1 1 5  2  38 o 9  7.66136e+01 9.06816e+00 1.28234e+02 167.609 -2.06430e+00 4.53513e-01  0.00000e+00 0.00000e+00 9.50351e-01 167.609 1.27283e+02 347.609 0.7156 
1 1 1 5  2  39 o 13 1.89463e+02 3.87388e+00 2.81407e+02 163.625 -1.15567e+01 3.39587e+00  0.00000e+00 0.00000e+00 1.44677e+02 163.625 1.36730e+02 343.625 0.9575 
1 1 1 5  2  40 o 13 5.52009e+02 3.97012e+00 5.82111e+02 268.949 -1.46817e+00 -8.00145e+01 0.00000e+00 0.00000e+00 7.01838e+02 268.949 1.19727e+02 268.949 0.9937 
1 1 1 5  2  42 o 5  2.03109e+02 2.78632e+00 2.61738e+02 152.716 -1.62029e+01 8.35726e+00  0.00000e+00 0.00000e+00 1.97178e+02 152.716 6.45603e+01 332.716 0.9722 
1 1 1 5  2  43 o 16 3.74259e+02 3.11935e+00 4.33121e+02 238.150 -2.71237e+01 -4.36614e+01 0.00000e+00 0.00000e+00 4.25047e+02 238.150 8.07422e+00 58.150  0.9902 
1 1 1 5  2  45 o 17 5.78740e+02 4.16078e+00 5.73451e+02 212.534 -1.05269e+02 -6.71526e+01 0.00000e+00 0.00000e+00 7.51216e+02 212.534 1.77764e+02 212.534 0.9960 
1 1 1 5  2  46 o 15 2.62889e+01 7.94886e+00 2.23746e+01 229.867 -1.56906e-01 -1.86116e-01 0.00000e+00 0.00000e+00 1.51038e+01 49.867  3.74784e+01 49.867  0.1208 
1 1 1 5  2  47 o 3  2.52012e+02 3.04565e+00 2.62272e+02 167.724 -2.69918e+01 5.87326e+00  0.00000e+00 0.00000e+00 3.01802e+02 167.724 3.95305e+01 167.724 0.9817 
1 1 1 5  2  48 o 6  2.60885e+02 3.02496e+00 2.62379e+02 132.799 -2.48107e+01 2.67941e+01  0.00000e+00 0.00000e+00 3.21820e+02 132.799 5.94411e+01 132.799 0.9862 
1 1 1 5  2  49 o 15 2.09293e+02 3.05935e+00 2.10372e+02 111.460 -7.79237e+00 1.98226e+01  0.00000e+00 0.00000e+00 2.51621e+02 111.460 4.12493e+01 111.460 0.9762 
1 1 1 5  2  50 o 8  1.38399e+02 3.52737e+00 9.57013e+01 29.418  7.73891e+00  4.36394e+00  0.00000e+00 0.00000e+00 1.97805e+02 29.418  1.02104e+02 29.418  0.9419 
1 1 1 5  2  51 o 17 1.47886e+02 3.44652e+00 1.97112e+02 10.526  1.90374e+01  3.53731e+00  0.00000e+00 0.00000e+00 1.25728e+02 10.526  7.13845e+01 190.526 0.9738 
1 1 1 5  2  52 o 9  6.78200e+01 7.70995e+00 9.18534e+01 301.385 2.28551e+00  -3.74654e+00 0.00000e+00 0.00000e+00 4.08827e+01 301.385 5.09707e+01 121.385 0.8770 
1 1 1 5  2  53 o 19 1.42677e+02 3.61161e+00 1.66879e+02 304.764 9.37114e+00  -1.35016e+01 0.00000e+00 0.00000e+00 1.40303e+02 304.764 2.65758e+01 124.764 0.9691 
1 1 1 5  2  54 o 12 1.28543e+02 4.43506e+00 1.30035e+02 155.806 -1.17158e+01 5.26391e+00  0.00000e+00 0.00000e+00 1.42931e+02 155.806 1.28953e+01 155.806 0.9602 
1 1 1 5  2  55 o 14 1.70794e+02 3.96612e+00 2.09420e+02 342.888 3.24045e+01  -9.97633e+00 0.00000e+00 0.00000e+00 1.60926e+02 342.888 4.84943e+01 162.888 0.9851 
1 1 1 5  2  56 o 12 1.91514e+02 3.79936e+00 1.60966e+02 52.738  1.73856e+01  2.28536e+01  0.00000e+00 0.00000e+00 2.51187e+02 52.738  9.02210e+01 52.738  0.9824 
1 1 1 5  2  57 o 16 2.95933e+01 9.14478e+00 1.83094e+01 154.312 -5.27280e-01 2.53631e-01  0.00000e+00 0.00000e+00 2.00566e-01 334.312 1.85099e+01 334.312 0.2807 
1 1 1 5  2  58 o 9  9.51696e+01 1.06326e+01 1.14604e+02 331.359 7.89790e+00  -4.31333e+00 0.00000e+00 0.00000e+00 7.99990e+01 331.359 3.46046e+01 151.359 0.9427 
1 1 1 5  2  59 o 1  1.92156e+02 4.16432e+00 1.94166e+02 251.860 -1.55126e+01 -4.73492e+01 0.00000e+00 0.00000e+00 2.16362e+02 251.860 2.21962e+01 251.860 0.9899 
1 1 1 5  2  60 o 4  3.31260e+01 9.55309e+00 2.89081e+01 9.358   1.14453e+00  1.88609e-01  0.00000e+00 0.00000e+00 6.66982e+00 9.358   2.22383e+01 189.358 0.5002 
1 1 1 5  2  61 o 12 1.41510e+02 4.51414e+00 1.50503e+02 311.146 2.19061e+01  -2.50708e+01 0.00000e+00 0.00000e+00 1.47184e+02 311.146 3.31946e+00 131.146 0.9849 
1 1 1 5  2  62 o 11 1.57530e+02 4.22439e+00 1.60157e+02 265.679 -2.94310e+00 -3.89542e+01 0.00000e+00 0.00000e+00 1.70230e+02 265.679 1.00726e+01 265.679 0.9871 
1 1 1 5  2  63 o 18 1.68204e+02 4.00787e+00 1.54515e+02 130.915 -2.96885e+01 3.42546e+01  0.00000e+00 0.00000e+00 1.96998e+02 130.915 4.24824e+01 130.915 0.9889 
1 1 1 5  2  64 o 5  6.76606e+01 7.28621e+00 5.45163e+01 250.042 -2.01823e+00 -5.55785e+00 0.00000e+00 0.00000e+00 7.50280e+01 250.042 2.05118e+01 250.042 0.9110 
1 1 1 5  2  65 o 4  7.50410e+01 6.90311e+00 5.34551e+01 51.458  4.77888e+00  5.99879e+00  0.00000e+00 0.00000e+00 9.27694e+01 51.458  3.93143e+01 51.458  0.9323 
1 1 1 5  2  66 o 1  3.20916e+01 9.23364e+00 3.46599e+01 44.175  1.58310e+00  1.53817e+00  0.00000e+00 0.00000e+00 1.39634e+01 44.175  2.06966e+01 224.175 0.7290 
1 1 1 5  2  67 o 8  9.20037e+01 6.41158e+00 8.08302e+01 174.088 -1.75474e+01 1.81708e+00  0.00000e+00 0.00000e+00 1.03814e+02 174.088 2.29839e+01 174.088 0.9712 
1 1 1 5  2  68 o 16 9.59715e+01 6.01589e+00 6.99636e+01 256.813 -3.70979e+00 -1.58324e+01 0.00000e+00 0.00000e+00 1.21036e+02 256.813 5.10721e+01 256.813 0.9687 
1 1 1 5  3  0  o 19 5.56949e+02 7.24489e+00 7.01841e+02 0.000   1.07878e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.95913e+02 0.000   5.92729e+00 180.000 1.0000 
1 1 1 5  3  1  o 15 3.41357e+02 3.57126e+00 5.46319e+02 154.704 -9.28181e+00 4.38663e+00  0.00000e+00 0.00000e+00 2.67478e+02 154.704 2.78841e+02 334.704 0.9500 
1 1 1 5  3  2  o 14 7.60315e+01 3.88138e+00 6.55279e+01 154.611 -2.45108e-01 1.16328e-01  0.00000e+00 0.00000e+00 3.98826e+01 334.611 1.05410e+02 334.611 0.1344 
1 1 1 5  3  3  o 5  1.03514e+03 7.98822e+00 1.33302e+03 206.220 -6.60312e+01 -3.25199e+01 0.00000e+00 0.00000e+00 1.24614e+03 206.220 8.68806e+01 26.220  0.9932 
1 1 1 5  3  4  o 7  4.04916e+02 3.16993e+00 5.29986e+02 276.620 1.29344e+00  -1.11454e+01 0.00000e+00 0.00000e+00 4.39148e+02 276.620 9.08377e+01 96.620  0.9543 
1 1 1 5  3  5  o 15 7.78078e+02 5.04322e+00 1.01125e+03 112.886 -1.55237e+01 3.67753e+01  0.00000e+00 0.00000e+00 9.14766e+02 112.886 9.64850e+01 292.886 0.9874 
1 1 1 5  3  6  o 8  4.54849e+02 3.19758e+00 4.40425e+02 47.750  6.61176e+00  7.27900e+00  0.00000e+00 0.00000e+00 6.39715e+02 47.750  1.99290e+02 47.750  0.9477 
1 1 1 5  3  7  f 0  6.07348e+02 4.04355e+00 6.30396e+02 125.377 -1.78057e+01 2.50765e+01  0.00000e+00 0.00000e+00 8.65689e+02 125.377 2.35293e+02 125.377 0.9836 
1 1 1 5  3  8  f 0  6.23701e+02 4.13690e+00 6.94155e+02 52.462  2.03330e+01  2.64623e+01  0.00000e+00 0.00000e+00 8.43240e+02 52.462  1.49085e+02 52.462  0.9849 
1 1 1 5  3  9  o 17 2.84460e+02 2.40165e+00 3.69438e+02 217.626 -6.14897e+00 -4.73983e+00 0.00000e+00 0.00000e+00 2.94434e+02 217.626 7.50038e+01 37.626  0.9332 
1 1 1 5  3  10 o 13 2.29464e+02 2.45960e+00 1.40856e+02 130.804 -1.49147e+00 1.72765e+00  0.00000e+00 0.00000e+00 2.82945e+02 130.804 1.42089e+02 130.804 0.7391 
1 1 1 5  3  11 o 2  3.81447e+02 2.83114e+00 4.43737e+02 0.334   1.73086e+01  1.01050e-01  0.00000e+00 0.00000e+00 4.80651e+02 0.334   3.69141e+01 0.334   0.9707 
1 1 1 5  3  12 o 6  4.58852e+02 3.77525e+00 5.63173e+02 170.699 -2.49044e+01 4.07880e+00  0.00000e+00 0.00000e+00 5.58352e+02 170.699 4.82080e+00 350.699 0.9800 
1 1 1 5  3  13 o 12 8.72802e+01 3.19241e+00 2.98680e+02 320.260 1.87241e+00  -1.55673e+00 0.00000e+00 0.00000e+00 1.33907e+02 140.260 4.32587e+02 140.260 0.7577 
1 1 1 5  3  14 o 3  2.76495e+02 3.18370e+00 2.94381e+02 284.908 2.49750e+00  -9.38126e+00 0.00000e+00 0.00000e+00 3.57220e+02 284.908 6.28394e+01 284.908 0.9470 
1 1 1 5  3  15 o 14 1.21201e+02 3.14450e+00 1.86798e+02 277.697 3.46219e-01  -2.56187e+00 0.00000e+00 0.00000e+00 4.63431e+01 277.697 1.40455e+02 97.696  0.7740 
1 1 1 5  3  16 o 6  3.25576e+02 3.21655e+00 3.38896e+02 205.945 -1.46955e+01 -7.15007e+00 0.00000e+00 0.00000e+00 4.44090e+02 205.945 1.05194e+02 205.945 0.9689 
1 1 1 5  3  17 o 6  1.11610e+02 3.24525e+00 1.83840e+02 243.611 -1.29965e+00 -2.61937e+00 0.00000e+00 0.00000e+00 3.86315e+01 243.611 1.45209e+02 63.611  0.8042 
1 1 1 5  3  18 o 12 1.25349e+02 3.40357e+00 1.23160e+02 347.609 2.31451e+00  -5.08480e-01 0.00000e+00 0.00000e+00 1.09519e+02 347.609 1.36409e+01 167.609 0.7500 
1 1 1 5  3  19 o 5  2.88493e+02 2.73392e+00 4.87802e+02 115.330 -8.91294e+00 1.88302e+01  0.00000e+00 0.00000e+00 2.07705e+02 115.330 2.80097e+02 295.330 0.9757 
1 1 1 5  3  20 o 1  3.06902e+02 2.71020e+00 3.84434e+02 26.737  1.73269e+01  8.72857e+00  0.00000e+00 0.00000e+00 3.52835e+02 26.737  3.15992e+01 206.737 0.9739 
1 1 1 5  3  21 o 17 2.55083e+02 2.56774e+00 3.47683e+02 20.834  1.31837e+01  5.01692e+00  0.00000e+00 0.00000e+00 2.57737e+02 20.834  8.99469e+01 200.834 0.9639 
1 1 1 5  3  22 o 7  2.12324e+02 2.85538e+00 2.93302e+02 144.872 -9.89742e+00 6.96332e+00  0.00000e+00 0.00000e+00 2.06499e+02 144.872 8.68034e+01 324.872 0.9577 
1 1 1 5  3  23 o 8  4.13072e+02 3.98940e+00 3.66261e+02 65.706  1.03284e+01  2.28809e+01  0.00000e+00 0.00000e+00 6.26630e+02 65.706  2.60369e+02 65.706  0.9799 
1 1 1 5  3  24 o 4  6.39367e+01 4.30411e+00 1.21614e+02 267.842 -4.71318e-02 -1.25089e+00 0.00000e+00 0.00000e+00 3.88884e+01 87.842  1.60503e+02 87.842  0.5285 
1 1 1 5  3  25 o 19 4.60457e+02 3.77192e+00 5.30949e+02 277.140 4.63709e+00  -3.70172e+01 0.00000e+00 0.00000e+00 5.78724e+02 277.140 4.77756e+01 277.140 0.9865 
1 1 1 5  3  26 o 7  3.03053e+02 3.58027e+00 3.65275e+02 268.228 -6.05518e-01 -1.95775e+01 0.00000e+00 0.00000e+00 3.54317e+02 268.228 1.09585e+01 88.228  0.9741 
1 1 1 5  3  27 o 14 3.00839e+02 2.76904e+00 3.37092e+02 353.013 1.69987e+01  -2.08336e+00 0.00000e+00 0.00000e+00 3.72846e+02 353.013 3.57536e+01 353.013 0.9704 
1 1 1 5  3  28 o 6  1.27530e+02 3.32486e+00 9.57851e+01 115.372 -8.51622e-01 1.79581e+00  0.00000e+00 0.00000e+00 1.19478e+02 115.372 2.36933e+01 115.372 0.6957 
1 1 1 5  3  29 o 15 4.78029e+02 3.45601e+00 4.83684e+02 146.400 -2.59646e+01 1.72511e+01  0.00000e+00 0.00000e+00 6.54552e+02 146.400 1.70868e+02 146.400 0.9838 
1 1 1 5  3  30 o 4  8.49158e+01 4.79136e+00 2.63726e+02 284.475 8.89702e-01  -3.44651e+00 0.00000e+00 0.00000e+00 9.06796e+01 104.475 3.54406e+02 104.475 0.8442 
1 1 1 5  3  31 f 0  8.95945e+02 5.89340e+00 9.99298e+02 224.999 -8.23042e+01 -8.23021e+01 0.00000e+00 0.00000e+00 1.14863e+03 224.999 1.49329e+02 224.999 0.9957 
1 1 1 5  3  32 o 7  5.23239e+02 3.64549e+00 6.64611e+02 81.654  8.40092e+00  5.72630e+01  0.00000e+00 0.00000e+00 5.80897e+02 81.654  8.37141e+01 261.654 0.9913 
1 1 1 5  3  33 f 0  3.70082e+02 3.01751e+00 4.87824e+02 10.780  2.73076e+01  5.19927e+00  0.00000e+00 0.00000e+00 3.82248e+02 10.780  1.05577e+02 190.780 0.9818 
1 1 1 5  3  34 o 15 1.11643e+02 3.57677e+00 7.15157e+01 273.032 7.75655e-02  -1.46445e+00 0.00000e+00 0.00000e+00 8.51521e+01 273.032 1.36364e+01 273.032 0.5877 
1 1 1 5  3  35 o 4  1.79039e+02 2.63299e+00 3.69127e+02 9.780   1.31278e+01  2.26282e+00  0.00000e+00 0.00000e+00 4.07499e+01 9.780   3.28377e+02 189.780 0.9617 
1 1 1 5  3  36 o 11 1.41897e+02 3.54269e+00 6.61860e+01 107.649 -5.56586e-01 1.74944e+00  0.00000e+00 0.00000e+00 1.59063e+02 107.649 9.28766e+01 107.649 0.6689 
1 1 1 5  3  37 o 11 7.74174e+01 5.51682e+00 1.01016e+02 312.543 1.06056e+00  -1.15567e+00 0.00000e+00 0.00000e+00 1.11871e+01 312.543 8.98286e+01 132.543 0.6126 
1 1 1 5  3  38 o 19 2.89675e+02 2.84495e+00 2.53206e+02 247.323 -6.11567e+00 -1.46366e+01 0.00000e+00 0.00000e+00 4.07983e+02 247.323 1.54778e+02 247.323 0.9679 
1 1 1 5  3  39 o 11 2.20688e+02 3.06690e+00 2.97126e+02 170.105 -1.44109e+01 2.51384e+00  0.00000e+00 0.00000e+00 2.03499e+02 170.105 9.36278e+01 350.105 0.9652 
1 1 1 5  3  40 o 9  1.89343e+02 2.89872e+00 2.71563e+02 71.326  4.31411e+00  1.27645e+01  0.00000e+00 0.00000e+00 1.55145e+02 71.326  1.16419e+02 251.326 0.9621 
1 1 1 5  3  41 o 5  3.63989e+02 3.10131e+00 3.19591e+02 229.104 -2.26358e+01 -2.61356e+01 0.00000e+00 0.00000e+00 5.17624e+02 229.104 1.98033e+02 229.104 0.9854 
1 1 1 5  3  42 o 14 1.83602e+02 2.95120e+00 1.65397e+02 210.872 -8.83024e+00 -5.27899e+00 0.00000e+00 0.00000e+00 2.40305e+02 210.872 7.49086e+01 210.872 0.9501 
1 1 1 5  3  43 o 18 2.64672e+02 2.86935e+00 2.78464e+02 300.026 1.15636e+01  -2.00081e+01 0.00000e+00 0.00000e+00 3.21431e+02 300.026 4.29674e+01 300.026 0.9781 
1 1 1 5  3  44 o 18 3.34365e+02 3.04452e+00 3.25092e+02 196.986 -4.02024e+01 -1.22803e+01 0.00000e+00 0.00000e+00 4.37580e+02 196.986 1.12488e+02 196.986 0.9880 
1 1 1 5  3  45 o 13 2.23483e+02 2.86527e+00 2.05269e+02 71.002  6.48001e+00  1.88218e+01  0.00000e+00 0.00000e+00 2.95603e+02 71.002  9.03342e+01 71.002  0.9745 
1 1 1 5  3  46 o 10 1.16883e+02 3.81101e+00 8.51122e+01 215.782 -3.38401e+00 -2.43903e+00 0.00000e+00 0.00000e+00 1.47775e+02 215.782 6.26630e+01 215.782 0.8698 
1 1 1 5  3  47 o 3  2.09938e+02 2.94582e+00 2.58951e+02 49.580  1.65524e+01  1.94353e+01  0.00000e+00 0.00000e+00 2.10557e+02 49.580  4.83939e+01 229.580 0.9802 
1 1 1 5  3  48 o 11 1.20829e+02 3.69272e+00 2.26415e+02 348.893 1.41535e+01  -2.77846e+00 0.00000e+00 0.00000e+00 3.84410e+01 348.893 1.87974e+02 168.894 0.9647 
1 1 1 5  3  49 o 4  2.83379e+02 2.93311e+00 2.07963e+02 159.670 -3.61429e+01 1.33909e+01  0.00000e+00 0.00000e+00 4.24876e+02 159.670 2.16913e+02 159.670 0.9869 
1 1 1 5  3  50 o 7  3.51395e+01 8.63911e+00 3.97305e+01 287.070 2.60433e-01  -8.48137e-01 0.00000e+00 0.00000e+00 7.66516e+00 107.070 4.73957e+01 107.070 0.4050 
1 1 1 5  3  51 o 2  3.68078e+02 3.18352e+00 3.41387e+02 345.043 8.00930e+01  -2.13969e+01 0.00000e+00 0.00000e+00 4.79328e+02 345.043 1.37940e+02 345.043 0.9940 
1 1 1 5  3  52 o 10 5.52932e+01 8.82616e+00 1.60185e+01 41.203  4.59232e-01  4.02073e-01  0.00000e+00 0.00000e+00 2.00162e+01 41.203  3.99765e+00 41.203  0.2918 
1 1 1 5  3  53 o 15 1.04902e+02 3.92956e+00 1.34935e+02 58.671  6.46044e+00  1.06134e+01  0.00000e+00 0.00000e+00 8.86981e+01 58.671  4.62373e+01 238.671 0.9589 
1 1 1 5  3  54 o 11 1.46862e+02 3.58234e+00 1.40593e+02 317.180 1.16177e+01  -1.07656e+01 0.00000e+00 0.00000e+00 1.73984e+02 317.180 3.33913e+01 317.180 0.9679 
1 1 1 5  3  55 o 7  1.15711e+02 3.82944e+00 1.41660e+02 112.863 -6.30135e+00 1.49441e+01  0.00000e+00 0.00000e+00 1.05224e+02 112.863 3.64365e+01 292.863 0.9687 
1 1 1 5  3  56 o 17 9.35636e+01 4.37378e+00 1.41610e+02 188.901 -1.20492e+01 -1.88710e+00 0.00000e+00 0.00000e+00 5.48954e+01 188.901 8.67146e+01 8.901   0.9581 
1 1 1 5  3  57 o 12 1.56916e+02 3.35903e+00 1.21032e+02 301.221 1.15427e+01  -1.90437e+01 0.00000e+00 0.00000e+00 2.13497e+02 301.221 9.24654e+01 301.221 0.9773 
1 1 1 5  3  58 o 18 1.57989e+02 3.56821e+00 1.74339e+02 145.487 -3.02011e+01 2.07666e+01  0.00000e+00 0.00000e+00 1.63891e+02 145.487 1.04476e+01 325.487 0.9863 
1 1 1 5  3  59 o 7  3.73039e+01 8.04834e+00 5.54470e+01 168.993 -2.43064e+00 4.72756e-01  0.00000e+00 0.00000e+00 5.97551e+00 168.993 4.94715e+01 348.993 0.7624 
1 1 1 5  3  60 o 11 6.02524e+01 5.81545e+00 2.49451e+01 23.115  1.79877e+00  7.67792e-01  0.00000e+00 0.00000e+00 6.44334e+01 23.115  3.94883e+01 23.115  0.6904 
1 1 1 5  3  61 o 10 2.51235e+01 7.46111e+00 5.25130e+01 257.603 -4.15797e-01 -1.89169e+00 0.00000e+00 0.00000e+00 1.56134e+01 77.603  6.81264e+01 77.603  0.6871 
1 1 1 5  3  62 o 8  1.44175e+02 3.22106e+00 1.69017e+02 121.357 -1.94658e+01 3.19442e+01  0.00000e+00 0.00000e+00 1.33399e+02 121.357 3.56174e+01 301.357 0.9865 
1 1 1 5  3  63 o 3  1.38401e+02 3.65149e+00 1.28088e+02 263.851 -3.29887e+00 -3.06189e+01 0.00000e+00 0.00000e+00 1.59804e+02 263.851 3.17157e+01 263.851 0.9836 
1 1 1 5  3  64 o 12 1.09690e+02 5.63265e+00 1.13259e+02 13.561  2.21782e+01  5.34965e+00  0.00000e+00 0.00000e+00 1.12327e+02 13.561  9.32416e-01 193.561 0.9778 
1 1 1 5  3  65 o 15 9.72894e+01 6.33274e+00 9.33695e+01 118.343 -8.84689e+00 1.64009e+01  0.00000e+00 0.00000e+00 1.04576e+02 118.343 1.12069e+01 118.343 0.9728 
1 1 1 5  3  66 f 0  9.88000e+01 6.20735e+00 7.52571e+01 320.279 1.25504e+01  -1.04271e+01 0.00000e+00 0.00000e+00 1.23821e+02 320.279 4.85643e+01 320.279 0.9689 
1 1 1 5  3  67 o 18 5.36545e+01 1.16361e+01 5.41891e+01 67.662  2.20730e+00  5.37176e+00  0.00000e+00 0.00000e+00 4.66924e+01 67.662  7.49670e+00 247.662 0.9093 
1 1 1 5  3  68 o 4  7.94337e+01 1.13684e+01 7.09199e+01 112.252 -4.65703e+00 1.13820e+01  0.00000e+00 0.00000e+00 8.55956e+01 112.252 1.46757e+01 112.252 0.9584 
1 1 1 5  4  0  o 15 3.43754e+02 3.64087e+00 4.21590e+02 180.000 -5.89181e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.41963e+02 180.000 2.03735e+01 180.000 1.0000 
1 1 1 5  4  1  o 4  8.50287e+02 5.30145e+00 9.37096e+02 80.463  1.06800e+01  6.35696e+01  0.00000e+00 0.00000e+00 1.18224e+03 80.463  2.45142e+02 80.463  0.9922 
1 1 1 5  4  2  o 15 2.47645e+02 2.64133e+00 4.20095e+02 321.025 6.50129e+00  -5.25993e+00 0.00000e+00 0.00000e+00 1.63452e+02 321.025 2.56643e+02 141.025 0.9382 
1 1 1 5  4  3  o 19 9.23492e+01 3.11011e+00 7.94308e+01 270.030 3.08980e-04  -5.81302e-01 0.00000e+00 0.00000e+00 1.47226e+01 90.030  9.41534e+01 90.030  0.2790 
1 1 1 5  4  4  o 15 5.38731e+02 3.81419e+00 5.58777e+02 325.105 1.91882e+01  -1.33834e+01 0.00000e+00 0.00000e+00 7.64439e+02 325.105 2.05662e+02 325.105 0.9784 
1 1 1 5  4  5  o 17 5.09466e+02 3.65410e+00 5.50050e+02 270.057 2.11493e-02  -2.12721e+01 0.00000e+00 0.00000e+00 6.98010e+02 270.057 1.47960e+02 270.057 0.9762 
1 1 1 5  4  6  o 17 5.63007e+02 4.11962e+00 5.24430e+02 55.737  1.22697e+01  1.80119e+01  0.00000e+00 0.00000e+00 8.54950e+02 55.737  3.30520e+02 55.737  0.9768 
1 1 1 5  4  7  o 13 2.52920e+02 2.83019e+00 2.64093e+02 269.369 -5.26411e-02 -4.78299e+00 0.00000e+00 0.00000e+00 2.98994e+02 269.369 3.49011e+01 269.369 0.8881 
1 1 1 5  4  8  o 14 9.02293e+02 7.03842e+00 1.02346e+03 102.336 -1.36080e+01 6.22262e+01  0.00000e+00 0.00000e+00 1.21918e+03 102.336 1.95711e+02 102.336 0.9921 
1 1 1 5  4  9  o 12 3.07052e+02 4.12427e+00 1.72981e+02 113.008 -2.10046e+00 4.94651e+00  0.00000e+00 0.00000e+00 5.19894e+02 113.008 3.46913e+02 113.008 0.9014 
1 1 1 5  4  10 o 7  4.26511e+02 3.56293e+00 4.44822e+02 178.218 -1.85032e+01 5.75624e-01  0.00000e+00 0.00000e+00 5.92802e+02 178.218 1.47979e+02 178.218 0.9726 
1 1 1 5  4  11 o 7  3.80589e+02 3.85794e+00 4.51770e+02 236.159 -8.99432e+00 -1.34150e+01 0.00000e+00 0.00000e+00 4.69421e+02 236.159 1.76509e+01 236.159 0.9685 
1 1 1 5  4  12 o 1  4.22339e+02 4.10683e+00 3.74222e+02 119.128 -9.27993e+00 1.66538e+01  0.00000e+00 0.00000e+00 6.52155e+02 119.128 2.77933e+02 119.128 0.9734 
1 1 1 5  4  13 o 6  2.28992e+02 2.54711e+00 3.46844e+02 199.294 -8.71374e+00 -3.05056e+00 0.00000e+00 0.00000e+00 1.92364e+02 199.294 1.54480e+02 19.294  0.9442 
1 1 1 5  4  14 o 17 3.08048e+02 2.96292e+00 4.02161e+02 225.629 -9.68871e+00 -9.90369e+00 0.00000e+00 0.00000e+00 3.36955e+02 225.629 6.52059e+01 45.629  0.9632 
1 1 1 5  4  15 o 18 8.29500e+01 3.55349e+00 1.23684e+02 322.225 1.18251e+00  -9.16405e-01 0.00000e+00 0.00000e+00 8.61551e-01 142.225 1.24545e+02 142.225 0.5952 
1 1 1 5  4  16 o 16 5.35103e+02 3.95081e+00 6.31305e+02 326.649 3.97265e+01  -2.61461e+01 0.00000e+00 0.00000e+00 6.84145e+02 326.649 5.28404e+01 326.649 0.9894 
1 1 1 5  4  17 o 12 2.58147e+02 2.68642e+00 4.31827e+02 243.440 -7.59215e+00 -1.51874e+01 0.00000e+00 0.00000e+00 1.89489e+02 243.440 2.42337e+02 63.440  0.9701 
1 1 1 5  4  18 o 18 1.77794e+02 2.45062e+00 1.75351e+02 84.918  4.06664e-01  4.57269e+00  0.00000e+00 0.00000e+00 2.13537e+02 84.918  3.81865e+01 84.918  0.8829 
1 1 1 5  4  19 o 12 1.29499e+02 2.76610e+00 2.50476e+02 108.718 -1.70633e+00 5.03579e+00  0.00000e+00 0.00000e+00 3.78696e+01 108.718 2.12607e+02 288.718 0.9003 
1 1 1 5  4  20 o 13 7.83647e+01 3.69178e+00 4.30267e+01 343.603 5.13261e-01  -1.51035e-01 0.00000e+00 0.00000e+00 6.96795e+00 343.603 3.60588e+01 163.603 0.2584 
1 1 1 5  4  21 o 12 3.23534e+02 2.55962e+00 3.66100e+02 62.098  1.07809e+01  2.03602e+01  0.00000e+00 0.00000e+00 4.13850e+02 62.098  4.77494e+01 62.098  0.9781 
1 1 1 5  4  22 o 4  2.30466e+02 2.41777e+00 2.89203e+02 253.085 -3.23165e+00 -1.06263e+01 0.00000e+00 0.00000e+00 2.51641e+02 253.085 3.75624e+01 73.085  0.9539 
1 1 1 5  4  23 o 2  1.71188e+02 3.33121e+00 2.28997e+02 341.091 6.00003e+00  -2.05537e+00 0.00000e+00 0.00000e+00 1.56619e+02 341.091 7.23780e+01 161.091 0.9174 
1 1 1 5  4  24 o 4  1.39782e+02 2.69248e+00 2.10467e+02 97.765  -6.10246e-01 4.47521e+00  0.00000e+00 0.00000e+00 9.12456e+01 97.765  1.19222e+02 277.765 0.8808 
1 1 1 5  4  25 o 5  1.73027e+02 2.49501e+00 1.57483e+02 339.369 4.54639e+00  -1.71170e+00 0.00000e+00 0.00000e+00 2.19075e+02 339.369 6.15915e+01 339.369 0.8900 
1 1 1 5  4  26 f 0  5.51581e+02 3.92386e+00 7.26652e+02 83.402  7.82449e+00  6.76497e+01  0.00000e+00 0.00000e+00 6.09267e+02 83.402  1.17385e+02 263.402 0.9926 
1 1 1 5  4  27 o 15 6.23895e+02 4.20595e+00 6.95730e+02 100.978 -1.35482e+01 6.98457e+01  0.00000e+00 0.00000e+00 8.12361e+02 100.978 1.16630e+02 100.978 0.9929 
1 1 1 5  4  28 f 0  3.80812e+02 3.20649e+00 5.56695e+02 283.491 6.73509e+00  -2.80731e+01 0.00000e+00 0.00000e+00 3.51993e+02 283.491 2.04702e+02 103.491 0.9825 
1 1 1 5  4  29 o 13 2.60368e+02 2.52991e+00 4.03055e+02 197.167 -1.61571e+01 -4.99142e+00 0.00000e+00 0.00000e+00 2.08782e+02 197.167 1.94273e+02 17.168  0.9700 
1 1 1 5  4  30 o 8  6.19542e+02 4.18320e+00 8.10792e+02 323.572 5.33251e+01  -3.93546e+01 0.00000e+00 0.00000e+00 6.74994e+02 323.572 1.35798e+02 143.572 0.9924 
1 1 1 5  4  31 o 15 5.72034e+02 3.91850e+00 7.06039e+02 152.730 -6.05368e+01 3.12055e+01  0.00000e+00 0.00000e+00 6.62488e+02 152.730 4.35511e+01 332.730 0.9926 
1 1 1 5  4  32 o 1  2.56104e+02 2.56871e+00 3.09728e+02 276.479 1.39890e+00  -1.23183e+01 0.00000e+00 0.00000e+00 2.80472e+02 276.479 2.92560e+01 96.479  0.9588 
1 1 1 5  4  33 o 2  5.23193e+02 3.66757e+00 6.16615e+02 357.457 6.00962e+01  -2.66934e+00 0.00000e+00 0.00000e+00 6.26947e+02 357.457 1.03323e+01 357.457 0.9917 
1 1 1 5  4  34 o 18 3.96002e+02 2.95902e+00 2.98767e+02 134.842 -1.70574e+01 1.71519e+01  0.00000e+00 0.00000e+00 6.27888e+02 134.842 3.29121e+02 134.842 0.9791 
1 1 1 5  4  35 o 8  5.81696e+02 3.86388e+00 6.74700e+02 351.117 7.70125e+01  -1.20365e+01 0.00000e+00 0.00000e+00 7.02479e+02 351.117 2.77791e+01 351.117 0.9936 
1 1 1 5  4  36 o 12 2.81401e+02 2.65315e+00 2.75142e+02 16.089  1.52540e+01  4.39966e+00  0.00000e+00 0.00000e+00 3.71938e+02 16.089  9.67962e+01 16.089  0.9680 
1 1 1 5  4  38 o 10 3.30367e+02 2.75200e+00 3.77585e+02 183.771 -2.82910e+01 -1.86468e+00 0.00000e+00 0.00000e+00 3.88353e+02 183.771 1.07682e+01 183.771 0.9822 
1 1 1 5  4  39 f 0  7.21542e+02 5.00951e+00 7.10664e+02 17.125  1.22324e+02  3.76894e+01  0.00000e+00 0.00000e+00 9.80209e+02 17.125  2.69545e+02 17.125  0.9961 
1 1 1 5  4  41 o 15 1.85922e+02 2.40797e+00 1.98772e+02 279.130 2.02635e+00  -1.26079e+01 0.00000e+00 0.00000e+00 2.18252e+02 279.130 1.94803e+01 279.130 0.9600 
1 1 1 5  4  42 o 16 1.57289e+02 2.70637e+00 1.00801e+02 149.276 -4.35861e+00 2.59041e+00  0.00000e+00 0.00000e+00 2.26928e+02 149.276 1.26128e+02 149.276 0.8950 
1 1 1 5  4  44 f 0  1.43568e+02 3.22951e+00 8.00594e+01 19.189  4.13303e+00  1.43835e+00  0.00000e+00 0.00000e+00 2.10762e+02 19.189  1.30702e+02 19.189  0.8766 
1 1 1 5  4  45 o 1  1.78893e+02 2.99330e+00 1.81308e+02 2.270   1.38986e+01  5.50860e-01  0.00000e+00 0.00000e+00 2.15418e+02 2.270   3.41102e+01 2.270   0.9634 
1 1 1 5  4  46 o 12 3.55739e+02 3.13779e+00 4.33249e+02 279.295 1.05078e+01  -6.42029e+01 0.00000e+00 0.00000e+00 3.76169e+02 279.295 5.70807e+01 99.295  0.9923 
1 1 1 5  4  47 o 14 4.29538e+02 3.45336e+00 3.38417e+02 208.324 -5.92021e+01 -3.19084e+01 0.00000e+00 0.00000e+00 6.35254e+02 208.324 2.96837e+02 208.324 0.9925 
1 1 1 5  4  48 o 11 2.92834e+02 2.93592e+00 2.99968e+02 218.695 -3.35561e+01 -2.68786e+01 0.00000e+00 0.00000e+00 3.58287e+02 218.695 5.83187e+01 218.695 0.9883 
1 1 1 5  4  49 o 14 1.96678e+02 2.86121e+00 2.13020e+02 315.655 1.93705e+01  -1.89325e+01 0.00000e+00 0.00000e+00 2.24153e+02 315.655 1.11328e+01 315.655 0.9814 
1 1 1 5  4  50 o 4  1.12225e+02 3.77205e+00 1.64404e+02 358.564 1.23756e+01  -3.10336e-01 0.00000e+00 0.00000e+00 7.82534e+01 358.564 8.61505e+01 178.563 0.9587 
1 1 1 5  4  51 o 11 2.94149e+02 3.25526e+00 2.52646e+02 101.992 -1.03406e+01 4.86826e+01  0.00000e+00 0.00000e+00 4.01205e+02 101.992 1.48559e+02 101.992 0.9899 
1 1 1 5  4  52 o 13 1.18031e+02 5.13083e+00 2.21234e+02 274.169 1.31376e+00  -1.80225e+01 0.00000e+00 0.00000e+00 3.52258e+01 274.169 1.86008e+02 94.169  0.9719 
1 1 1 5  4  53 o 19 8.07851e+01 4.88891e+00 1.41908e+02 145.517 -8.14423e+00 5.59374e+00  0.00000e+00 0.00000e+00 2.85211e+01 145.517 1.13386e+02 325.517 0.9480 
1 1 1 5  4  54 o 19 7.51084e+01 6.79709e+00 5.47174e+01 279.070 6.02760e-01  -3.77581e+00 0.00000e+00 0.00000e+00 8.77690e+01 279.070 3.30516e+01 279.070 0.8564 
1 1 1 5  4  55 o 7  5.71408e+01 8.43534e+00 1.53795e+01 259.734 -1.44594e-01 -7.98346e-01 0.00000e+00 0.00000e+00 3.19380e+01 259.734 1.65585e+01 259.734 0.3756 
1 1 1 5  4  56 o 1  1.09845e+02 4.65117e+00 1.44901e+02 61.440  8.30397e+00  1.52558e+01  0.00000e+00 0.00000e+00 8.90864e+01 61.440  5.58147e+01 241.440 0.9708 
1 1 1 5  4  58 f 0  1.48710e+02 4.24365e+00 1.21983e+02 67.059  9.57007e+00  2.26106e+01  0.00000e+00 0.00000e+00 1.94489e+02 67.059  7.25057e+01 67.059  0.9794 
1 1 1 5  4  59 o 9  6.88985e+01 7.07137e+00 1.19677e+02 82.098  1.37190e+00  9.88423e+00  0.00000e+00 0.00000e+00 2.16007e+01 82.098  9.80767e+01 262.098 0.9485 
1 1 1 5  4  60 o 2  7.27053e+01 6.56707e+00 9.56518e+01 3.949   9.27550e+00  6.40237e-01  0.00000e+00 0.00000e+00 5.20588e+01 3.949   4.35929e+01 183.949 0.9446 
1 1 1 5  4  61 o 1  8.31721e+01 6.95778e+00 8.50716e+01 125.927 -6.20879e+00 8.56850e+00  0.00000e+00 0.00000e+00 8.42556e+01 125.927 8.16042e-01 305.927 0.9515 
1 1 1 5  4  62 o 17 3.17703e+01 9.01585e+00 4.91811e+01 228.179 -1.64350e+00 -1.83679e+00 0.00000e+00 0.00000e+00 2.28241e+00 228.179 4.68987e+01 48.179  0.7611 
1 1 1 5  4  63 o 19 6.77453e+01 7.81012e+00 5.09370e+01 296.389 2.46089e+00  -4.95985e+00 0.00000e+00 0.00000e+00 7.87750e+01 296.389 2.78380e+01 296.389 0.9045 
1 1 1 5  4  64 o 6  9.85969e+01 5.82192e+00 1.01578e+02 99.398  -2.96897e+00 1.79385e+01  0.00000e+00 0.00000e+00 1.00206e+02 99.398  1.37258e+00 279.398 0.9721 
1 1 1 5  4  65 o 14 5.70919e+01 9.61092e+00 7.73347e+01 272.104 2.97175e-01  -8.08691e+00 0.00000e+00 0.00000e+00 3.45440e+01 272.104 4.27907e+01 92.105  0.9360 
1 1 1 5  4  66 f 0  9.70767e+01 6.46161e+00 1.01008e+02 123.026 -1.15639e+01 1.77892e+01  0.00000e+00 0.00000e+00 9.62653e+01 123.026 4.74308e+00 303.026 0.9761 
1 1 1 5  4  67 o 12 6.85943e+01 8.75600e+00 6.44404e+01 45.412  7.01176e+00  7.11345e+00  0.00000e+00 0.00000e+00 7.02361e+01 45.412  5.79575e+00 45.412  0.9485 
1 1 1 5  4  68 o 2  1.06478e+02 6.46681e+00 9.64904e+01 311.399 1.83366e+01  -2.07996e+01 0.00000e+00 0.00000e+00 1.18640e+02 311.399 2.21497e+01 311.399 0.9818 
1 1 1 5  5  0  o 11 7.36891e+02 1.07477e+01 9.97183e+02 0.000   1.28748e+01  0.00000e+00  0.00000e+00 0.00000e+00 8.56375e+02 0.000   1.40808e+02 180.000 1.0000 
1 1 1 5  5  1  o 14 7.26896e+01 6.40941e+00 1.03829e+02 270.000 -1.61702e-17 -2.64079e-01 0.00000e+00 0.00000e+00 5.66381e+01 90.000  1.60467e+02 90.000  0.2581 
1 1 1 5  5  2  o 11 3.14105e+02 4.41408e+00 3.56309e+02 0.000   3.89382e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.32993e+02 0.000   7.66838e+01 0.000   0.9992 
1 1 1 5  5  3  o 16 3.40070e+01 1.24086e+01 3.45551e+01 270.000 -3.72137e-18 -6.07746e-02 0.00000e+00 0.00000e+00 2.93648e+01 90.000  6.39198e+01 90.000  0.0607 
1 1 1 5  5  4  o 1  6.47840e+01 6.32357e+00 1.05629e+02 0.000   3.51401e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.06500e+01 180.000 1.56279e+02 180.000 0.3376 
1 1 1 5  5  5  o 10 3.37272e+02 4.25329e+00 1.93418e+02 90.000  0.00000e+00  3.29424e+00  0.00000e+00 0.00000e+00 6.51706e+02 90.000  4.58288e+02 90.000  0.9973 
1 1 1 5  5  6  o 7  3.91656e+02 4.25599e+00 5.22839e+02 180.000 -1.01221e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.60796e+02 180.000 6.20435e+01 0.000   1.0000 
1 1 1 5  5  7  o 2  4.39950e+02 4.36419e+00 2.22011e+02 90.000  2.88568e-16  4.71267e+00  0.00000e+00 0.00000e+00 8.82114e+02 90.000  6.60103e+02 90.000  0.9998 
1 1 1 5  5  8  f 0  1.21551e+02 3.58062e+00 8.24887e+01 0.000   4.71311e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.14425e+01 0.000   3.10462e+01 180.000 0.4393 
1 1 1 5  5  9  f 0  2.42044e+02 4.42094e+00 3.63500e+02 270.000 4.68972e-07  -5.36442e+00 0.00000e+00 0.00000e+00 2.43182e+02 270.000 1.20318e+02 90.000  1.0000 
1 1 1 5  5  10 o 1  9.12865e+01 4.90575e+00 5.29488e+01 0.000   2.85903e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.06931e+01 0.000   4.22557e+01 180.000 0.2784 
1 1 1 5  5  11 o 18 5.73544e+02 5.76354e+00 9.08919e+02 90.000  -2.61170e-06 2.98744e+01  0.00000e+00 0.00000e+00 5.26250e+02 90.000  3.82669e+02 270.000 1.0000 
1 1 1 5  5  12 o 14 4.66725e+02 4.93079e+00 6.64766e+02 180.000 -2.33153e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.01952e+02 180.000 1.62814e+02 0.000   1.0000 
1 1 1 5  5  13 o 2  1.00134e+02 6.80843e+00 1.09004e+01 90.000  -6.94344e-09 7.94237e-02  0.00000e+00 0.00000e+00 8.91745e+00 90.000  1.98294e+00 270.000 0.0793 
1 1 1 5  5  14 o 7  1.53031e+02 3.89019e+00 2.23073e+02 180.000 -2.41732e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.52595e+02 180.000 7.04779e+01 0.000   0.9842 
1 1 1 5  5  15 o 10 1.42280e+02 4.46731e+00 6.20907e+01 270.000 5.92962e-08  -6.78269e-01 0.00000e+00 0.00000e+00 1.47162e+02 270.000 8.50717e+01 270.000 0.5904 
1 1 1 5  5  16 o 12 4.18398e+02 4.26876e+00 4.56441e+02 180.000 -1.42217e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.84429e+02 180.000 1.27988e+02 180.000 1.0000 
1 1 1 5  5  17 o 5  1.48596e+02 6.39235e+00 2.32782e+02 270.000 2.50856e-07  -2.86946e+00 0.00000e+00 0.00000e+00 1.33994e+02 270.000 9.87885e+01 90.000  0.9936 
1 1 1 5  5  18 o 7  1.44480e+02 3.39722e+00 2.05499e+02 0.000   2.39937e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.47022e+02 0.000   5.84778e+01 180.000 0.9837 
1 1 1 5  5  19 o 4  5.06056e+01 1.17440e+01 1.26058e+02 90.000  -5.45016e-08 6.23426e-01  0.00000e+00 0.00000e+00 5.66897e+01 270.000 1.82748e+02 270.000 0.5535 
1 1 1 5  5  20 o 19 4.40897e+02 4.44614e+00 4.10164e+02 0.000   1.73982e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.79886e+02 0.000   2.69722e+02 0.000   1.0000 
1 1 1 5  5  21 o 6  1.08207e+02 6.50280e+00 1.39358e+02 90.000  0.00000e+00  1.24402e+00  0.00000e+00 0.00000e+00 8.67281e+01 90.000  5.26301e+01 270.000 0.8466 
1 1 1 5  5  22 o 9  2.94283e+01 1.31889e+01 2.09641e+01 0.000   4.78124e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.75006e+01 180.000 3.84648e+01 180.000 0.0478 
1 1 1 5  5  23 o 9  2.43613e+02 3.72920e+00 3.65179e+02 90.000  0.00000e+00  6.80325e+00  0.00000e+00 0.00000e+00 2.33774e+02 90.000  1.31405e+02 270.000 1.0000 
1 1 1 5  5  24 o 19 3.10705e+02 4.87823e+00 2.79010e+02 0.000   7.69619e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.83349e+02 0.000   2.04339e+02 0.000   1.0000 
1 1 1 5  5  25 o 5  2.91573e+02 4.91486e+00 3.26614e+02 90.000  -7.06427e-07 8.08058e+00  0.00000e+00 0.00000e+00 3.87292e+02 90.000  6.06784e+01 90.000  1.0000 
1 1 1 5  5  26 o 18 2.01131e+02 4.48358e+00 4.77949e+02 180.000 -7.88822e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.34320e+01 180.000 4.64517e+02 0.000   1.0000 
1 1 1 5  5  27 o 8  1.72707e+02 4.76584e+00 1.66705e+02 270.000 1.71545e-07  -1.96225e+00 0.00000e+00 0.00000e+00 2.37960e+02 270.000 7.12546e+01 270.000 0.9613 
1 1 1 5  5  28 o 3  3.73878e+02 4.04780e+00 3.96737e+02 180.000 -1.19762e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.12433e+02 180.000 1.15696e+02 180.000 1.0000 
1 1 1 5  5  29 o 18 1.15297e+02 6.15393e+00 5.84821e+01 270.000 -2.73294e-17 -4.46323e-01 0.00000e+00 0.00000e+00 5.86687e+01 270.000 1.86599e-01 270.000 0.4189 
1 1 1 5  5  30 o 1  1.23535e+02 4.24679e+00 5.61456e+01 0.000   5.88428e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.01904e+02 0.000   4.57581e+01 0.000   0.5288 
1 1 1 5  5  31 o 4  1.79965e+02 6.33738e+00 1.34648e+02 90.000  1.16361e-16  1.90032e+00  0.00000e+00 0.00000e+00 2.80656e+02 90.000  1.46008e+02 90.000  0.9563 
1 1 1 5  5  32 o 18 6.32229e+02 6.34243e+00 8.23403e+02 0.000   4.88113e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.98174e+02 0.000   1.25229e+02 180.000 1.0000 
1 1 1 5  5  33 o 12 5.50669e+01 9.03731e+00 3.43717e+01 270.000 1.69135e-08  -1.93468e-01 0.00000e+00 0.00000e+00 9.11768e+00 90.000  4.34893e+01 90.000  0.1911 
1 1 1 5  5  34 o 13 7.58174e+01 6.55085e+00 1.97987e+01 180.000 -1.50191e-01 0.00000e+00  0.00000e+00 0.00000e+00 7.24781e+00 180.000 1.25509e+01 0.000   0.1491 
1 1 1 5  5  35 o 5  3.37595e+02 4.76417e+00 3.87724e+02 90.000  8.28894e-16  1.35369e+01  0.00000e+00 0.00000e+00 4.17748e+02 90.000  3.00242e+01 90.000  1.0000 
1 1 1 5  5  36 o 7  2.23869e+02 4.78360e+00 1.94837e+02 180.000 -4.84260e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.37594e+02 180.000 1.42757e+02 180.000 0.9999 
1 1 1 5  5  37 o 9  3.53510e+02 4.95638e+00 3.63988e+02 90.000  9.04705e-16  1.47750e+01  0.00000e+00 0.00000e+00 4.74231e+02 90.000  1.10243e+02 90.000  1.0000 
1 1 1 5  5  38 o 9  1.55733e+02 5.21775e+00 1.83729e+02 180.000 -3.62699e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.83821e+02 180.000 9.15390e-02 180.000 0.9986 
1 1 1 5  5  40 o 5  2.41102e+02 3.78063e+00 2.35756e+02 0.000   8.42117e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.30261e+02 0.000   9.45049e+01 0.000   1.0000 
1 1 1 5  5  41 o 11 1.24423e+02 4.79783e+00 1.91375e+02 270.000 3.51298e-07  -4.01838e+00 0.00000e+00 0.00000e+00 9.95152e+01 270.000 9.18599e+01 90.000  0.9994 
1 1 1 5  5  43 o 1  2.05750e+02 3.56035e+00 1.63107e+02 270.000 5.67764e-07  -6.49447e+00 0.00000e+00 0.00000e+00 3.14754e+02 270.000 1.51647e+02 270.000 1.0000 
1 1 1 5  5  44 o 2  1.12028e+02 4.49081e+00 1.88161e+02 180.000 -4.57302e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.09998e+01 180.000 1.17161e+02 0.000   0.9998 
1 1 1 5  5  45 o 6  3.94696e+02 4.51985e+00 4.38688e+02 270.000 -2.23049e-15 -3.64266e+01 0.00000e+00 0.00000e+00 4.71077e+02 270.000 3.23890e+01 270.000 1.0000 
1 1 1 5  5  46 o 11 4.42018e+02 4.82913e+00 4.17517e+02 180.000 -4.33654e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.97331e+02 180.000 1.79813e+02 180.000 1.0000 
1 1 1 5  5  47 o 9  3.89041e+02 4.48897e+00 3.35595e+02 90.000  2.11872e-15  3.46013e+01  0.00000e+00 0.00000e+00 5.54045e+02 90.000  2.18450e+02 90.000  1.0000 
1 1 1 5  5  48 o 8  7.11590e+01 5.55635e+00 4.31187e+01 180.000 -1.00229e+00 0.00000e+00  0.00000e+00 0.00000e+00 8.04590e+01 180.000 3.73403e+01 180.000 0.7626 
1 1 1 5  5  49 o 12 2.54863e+02 3.64573e+00 2.58040e+02 90.000  -1.92931e-06 2.20687e+01  0.00000e+00 0.00000e+00 3.19962e+02 90.000  6.19222e+01 90.000  1.0000 
1 1 1 5  5  50 o 12 1.84476e+02 4.96034e+00 2.64292e+02 0.000   1.65756e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.52295e+02 0.000   1.11997e+02 180.000 1.0000 
1 1 1 5  5  51 f 0  6.48797e+01 1.06845e+01 8.17242e+01 90.000  -1.63213e-07 1.86694e+00  0.00000e+00 0.00000e+00 5.73419e+01 90.000  2.43823e+01 270.000 0.9533 
1 1 1 5  5  52 o 17 1.34800e+02 5.91638e+00 1.02811e+02 180.000 -6.10970e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.98928e+02 180.000 9.61164e+01 180.000 1.0000 
1 1 1 5  5  53 o 4  4.16859e+01 1.61946e+01 4.46978e+01 90.000  3.99996e-17  6.53243e-01  0.00000e+00 0.00000e+00 8.60696e+00 90.000  3.60908e+01 270.000 0.5738 
1 1 1 5  5  54 o 7  4.73078e+01 1.54055e+01 9.31590e+01 180.000 -1.97033e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.77170e+00 180.000 8.53873e+01 0.000   0.9619 
1 1 1 5  5  55 o 17 4.52266e+01 1.54851e+01 3.44902e+01 90.000  4.01709e-17  6.56041e-01  0.00000e+00 0.00000e+00 2.29929e+01 90.000  1.14973e+01 270.000 0.5757 
1 1 1 5  5  56 o 18 1.94616e+01 1.28506e+01 2.86113e+01 0.000   3.01364e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.61016e+01 180.000 4.47130e+01 180.000 0.2926 
1 1 1 5  5  57 o 14 1.97699e+01 1.30668e+01 6.62373e+01 270.000 -4.86470e-17 -7.94466e-01 0.00000e+00 0.00000e+00 3.76683e+01 90.000  1.03906e+02 90.000  0.6609 
1 1 1 5  5  58 o 18 2.18540e+02 5.85751e+00 2.20896e+02 0.000   3.23439e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.54561e+02 0.000   3.36649e+01 0.000   1.0000 
1 1 1 5  5  59 o 17 1.12421e+02 7.58887e+00 1.60135e+02 90.000  0.00000e+00  1.19089e+01  0.00000e+00 0.00000e+00 8.32182e+01 90.000  7.69165e+01 270.000 1.0000 
1 1 1 5  5  60 o 4  6.12988e+01 1.46487e+01 9.57064e+01 0.000   4.01494e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.62190e+01 0.000   5.94874e+01 180.000 0.9993 
1 1 1 5  5  61 f 0  6.32487e+01 1.42711e+01 7.98818e+01 270.000 2.97501e-07  -3.40302e+00 0.00000e+00 0.00000e+00 5.53200e+01 270.000 2.45618e+01 90.000  0.9978 
1 1 1 5  5  62 o 10 1.23546e+02 7.83023e+00 9.35471e+01 180.000 -9.83149e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.69732e+02 180.000 7.61846e+01 180.000 1.0000 
1 1 1 5  5  63 o 15 1.23804e+02 8.17498e+00 1.10998e+02 270.000 1.00128e-06  -1.14533e+01 0.00000e+00 0.00000e+00 1.51412e+02 270.000 4.04138e+01 270.000 1.0000 
1 1 1 5  5  64 o 10 4.80145e+01 1.76437e+01 5.92821e+01 0.000   2.24452e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.96836e+01 0.000   1.95985e+01 180.000 0.9778 
1 1 1 5  5  65 o 1  1.73862e+02 6.42125e+00 1.18495e+02 90.000  0.00000e+00  2.37394e+01  0.00000e+00 0.00000e+00 2.45969e+02 90.000  1.27474e+02 90.000  1.0000 
1 1 1 5  5  66 o 5  3.64164e+01 1.82289e+01 5.55786e+01 0.000   1.84228e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.66121e+01 0.000   3.89665e+01 180.000 0.9510 
1 1 1 5  5  67 o 7  6.53058e+01 1.48529e+01 2.37566e+01 90.000  0.00000e+00  1.59295e+00  0.00000e+00 0.00000e+00 1.00846e+02 90.000  7.70897e+01 90.000  0.9206 
1 1 1 6  0  0  o 7  7.26004e+02 1.06179e+01 6.96472e+02 0.000   6.66943e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.12606e+03 0.000   4.29592e+02 0.000   1.0000 
1 1 1 6  0  1  o 1  4.57443e+02 5.12034e+00 4.72523e+02 45.000  4.02252e+00  4.02252e+00  0.00000e+00 0.00000e+00 6.75756e+02 45.000  2.03233e+02 45.000  1.0000 
1 1 1 6  0  2  o 18 2.96180e+02 3.92941e+00 3.44769e+02 270.000 0.00000e+00  -2.66174e+00 0.00000e+00 0.00000e+00 3.91412e+02 270.000 4.66433e+01 270.000 0.9903 
1 1 1 6  0  3  o 6  3.87618e+02 4.53283e+00 4.95220e+02 315.000 3.48041e+00  -3.48041e+00 0.00000e+00 0.00000e+00 4.77366e+02 315.000 1.78538e+01 135.000 0.9999 
1 1 1 6  0  4  o 9  5.52100e+02 5.45914e+00 7.33010e+02 180.000 -1.01472e+01 0.00000e+00  0.00000e+00 0.00000e+00 6.52011e+02 180.000 8.09992e+01 0.000   1.0000 
1 1 1 6  0  5  o 10 6.08877e+02 5.93765e+00 6.99785e+02 225.000 -7.34960e+00 -7.34960e+00 0.00000e+00 0.00000e+00 8.27076e+02 225.000 1.27291e+02 225.000 1.0000 
1 1 1 6  0  6  o 5  2.99229e+02 3.64830e+00 3.88136e+02 90.000  2.86004e-16  4.67080e+00  0.00000e+00 0.00000e+00 3.61744e+02 90.000  2.63920e+01 270.000 0.9998 
1 1 1 6  0  7  o 8  6.56972e+02 6.33968e+00 6.01685e+02 135.000 -1.08309e+01 1.08309e+01  0.00000e+00 0.00000e+00 1.04408e+03 135.000 4.42394e+02 135.000 1.0000 
1 1 1 6  0  8  o 12 5.99675e+02 5.86054e+00 6.37168e+02 180.000 -1.42457e+01 0.00000e+00  0.00000e+00 0.00000e+00 8.64093e+02 180.000 2.26925e+02 180.000 1.0000 
1 1 1 6  0  9  o 11 4.24959e+02 4.47953e+00 7.16577e+02 45.000  7.70934e+00  7.70934e+00  0.00000e+00 0.00000e+00 3.46510e+02 45.000  3.70067e+02 225.000 1.0000 
1 1 1 6  0  10 o 14 2.67700e+02 3.77187e+00 3.28707e+02 90.000  -4.00199e-07 4.57774e+00  0.00000e+00 0.00000e+00 3.40286e+02 90.000  1.15795e+01 90.000  0.9998 
1 1 1 6  0  11 o 4  7.57240e+02 7.77179e+00 7.06678e+02 315.000 1.88065e+01  -1.88065e+01 0.00000e+00 0.00000e+00 1.18438e+03 315.000 4.77705e+02 315.000 1.0000 
1 1 1 6  0  12 o 12 2.11582e+02 3.62718e+00 4.45510e+02 180.000 -4.50050e+00 0.00000e+00  0.00000e+00 0.00000e+00 8.22212e+01 180.000 3.63289e+02 0.000   0.9998 
1 1 1 6  0  13 o 4  3.07694e+01 1.32774e+01 8.79127e+01 225.000 -1.15371e-01 -1.15371e-01 0.00000e+00 0.00000e+00 7.55112e+01 45.000  1.63424e+02 45.000  0.1617 
1 1 1 6  0  14 o 7  7.49402e+02 8.46626e+00 1.12480e+03 90.000  -4.29372e-06 4.91144e+01  0.00000e+00 0.00000e+00 7.40638e+02 90.000  3.84167e+02 270.000 1.0000 
1 1 1 6  0  15 o 12 3.98223e+02 4.32183e+00 2.21443e+02 135.000 -3.49796e+00 3.49796e+00  0.00000e+00 0.00000e+00 7.68491e+02 135.000 5.47048e+02 135.000 0.9999 
1 1 1 6  0  16 o 11 1.46593e+01 9.86388e+00 6.14204e+01 180.000 -6.52322e-02 0.00000e+00  0.00000e+00 0.00000e+00 5.90495e+01 0.000   1.20470e+02 0.000   0.0651 
1 1 1 6  0  17 o 14 2.38083e+02 4.63932e+00 1.92702e+02 45.000  2.28058e+00  2.28058e+00  0.00000e+00 0.00000e+00 3.95709e+02 45.000  2.03007e+02 45.000  0.9968 
1 1 1 6  0  18 o 4  3.51752e+02 4.00851e+00 3.02360e+02 270.000 7.05031e-07  -8.06462e+00 0.00000e+00 0.00000e+00 5.68414e+02 270.000 2.66054e+02 270.000 1.0000 
1 1 1 6  0  19 o 3  4.00492e+02 4.70324e+00 3.34458e+02 315.000 6.92640e+00  -6.92640e+00 0.00000e+00 0.00000e+00 6.55394e+02 315.000 3.20936e+02 315.000 1.0000 
1 1 1 6  0  20 o 11 7.02939e+01 7.18523e+00 3.04951e+01 0.000   1.73801e-01  0.00000e+00  0.00000e+00 0.00000e+00 6.50061e-01 180.000 3.11452e+01 180.000 0.1721 
1 1 1 6  0  21 o 19 1.72543e+02 3.90154e+00 2.52440e+02 45.000  3.06768e+00  3.06768e+00  0.00000e+00 0.00000e+00 1.72402e+02 45.000  8.00377e+01 225.000 0.9997 
1 1 1 6  0  22 o 18 6.79882e+01 6.66022e+00 1.61787e+02 270.000 -6.46263e-17 -1.05543e+00 0.00000e+00 0.00000e+00 3.07569e+01 90.000  1.92544e+02 90.000  0.7839 
1 1 1 6  0  23 o 13 2.13837e+02 3.78464e+00 3.10796e+02 135.000 -3.87552e+00 3.87552e+00  0.00000e+00 0.00000e+00 2.13886e+02 135.000 9.69102e+01 315.000 1.0000 
1 1 1 6  0  24 o 9  3.27879e+02 3.97357e+00 5.44374e+02 180.000 -1.39640e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.58525e+02 180.000 2.85849e+02 0.000   1.0000 
1 1 1 6  0  25 o 10 5.07668e+01 1.29154e+01 2.37563e+02 45.000  6.37771e-01  6.37771e-01  0.00000e+00 0.00000e+00 1.48586e+02 225.000 3.86149e+02 225.000 0.7172 
1 1 1 6  0  26 o 1  2.17610e+01 1.27017e+01 1.75837e+02 90.000  2.02775e-17  3.31156e-01  0.00000e+00 0.00000e+00 1.58881e+02 270.000 3.34718e+02 270.000 0.3196 
1 1 1 6  0  27 o 7  6.18180e+01 6.59414e+00 1.73939e+02 135.000 -6.34992e-01 6.34992e-01  0.00000e+00 0.00000e+00 6.63656e+01 315.000 2.40304e+02 315.000 0.7153 
1 1 1 6  0  28 o 10 3.50403e+02 3.81768e+00 3.60929e+02 0.000   8.77975e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.89463e+02 0.000   1.28534e+02 0.000   1.0000 
1 1 1 6  0  29 o 14 2.28476e+02 3.30847e+00 2.70888e+02 225.000 -3.58946e+00 -3.58946e+00 0.00000e+00 0.00000e+00 2.82193e+02 225.000 1.13053e+01 225.000 0.9999 
1 1 1 6  0  30 o 13 9.14234e+01 4.54070e+00 1.89547e+02 90.000  8.39591e-17  1.37116e+00  0.00000e+00 0.00000e+00 4.49825e+00 90.000  1.85048e+02 270.000 0.8790 
1 1 1 6  0  31 o 7  1.30320e+01 8.95932e+00 1.18055e+02 135.000 -7.01538e-02 7.01538e-02  0.00000e+00 0.00000e+00 1.14951e+02 315.000 2.33007e+02 315.000 0.0989 
1 1 1 6  0  32 o 6  4.56770e+01 8.62015e+00 4.58869e+01 180.000 -1.72324e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.71660e+01 0.000   7.30529e+01 0.000   0.1706 
1 1 1 6  0  33 f 0  3.61798e+02 4.44531e+00 6.40499e+02 225.000 -1.25243e+01 -1.25243e+01 0.00000e+00 0.00000e+00 2.26071e+02 225.000 4.14428e+02 45.000  1.0000 
1 1 1 6  0  34 o 18 4.84680e+02 4.70400e+00 3.74482e+02 90.000  1.01412e-15  1.65618e+01  0.00000e+00 0.00000e+00 7.83061e+02 90.000  4.08579e+02 90.000  1.0000 
1 1 1 6  0  35 o 12 4.85418e+02 5.11767e+00 6.24591e+02 315.000 2.14497e+01  -2.14497e+01 0.00000e+00 0.00000e+00 5.31270e+02 315.000 9.33209e+01 135.000 1.0000 
1 1 1 6  0  36 o 14 1.35375e+02 5.77755e+00 1.41171e+02 0.000   1.85452e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.64822e+02 0.000   2.36511e+01 0.000   0.9522 
1 1 1 6  0  37 o 11 1.96235e+02 4.84576e+00 1.43302e+02 225.000 -1.99160e+00 -1.99160e+00 0.00000e+00 0.00000e+00 3.17761e+02 225.000 1.74458e+02 225.000 0.9929 
1 1 1 6  0  38 f 0  2.28917e+02 4.75890e+00 2.55675e+02 270.000 -3.85131e-16 -6.28967e+00 0.00000e+00 0.00000e+00 2.84284e+02 270.000 2.86091e+01 270.000 1.0000 
1 1 1 6  0  39 o 13 2.97084e+02 6.20012e+00 1.76197e+02 135.000 -4.69032e+00 4.69032e+00  0.00000e+00 0.00000e+00 5.22230e+02 135.000 3.46032e+02 135.000 1.0000 
1 1 1 6  0  40 o 18 4.31397e+02 5.41809e+00 5.63717e+02 180.000 -3.16315e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.47028e+02 180.000 1.16688e+02 0.000   1.0000 
1 1 1 6  0  41 o 7  5.62250e+02 6.37898e+00 5.10783e+02 225.000 -2.99191e+01 -2.99191e+01 0.00000e+00 0.00000e+00 8.01948e+02 225.000 2.91165e+02 225.000 1.0000 
1 1 1 6  0  42 o 17 6.49715e+02 7.11831e+00 7.47811e+02 270.000 -4.98344e-15 -8.13858e+01 0.00000e+00 0.00000e+00 7.63709e+02 270.000 1.58981e+01 270.000 1.0000 
1 1 1 6  0  43 o 11 1.50525e+02 8.86300e+00 2.31911e+01 135.000 -4.42564e-01 4.42564e-01  0.00000e+00 0.00000e+00 1.70524e+02 135.000 1.47333e+02 135.000 0.5552 
1 1 1 6  0  44 o 16 1.95346e+02 5.36018e+00 2.79066e+02 0.000   1.04716e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.72034e+02 0.000   1.07033e+02 180.000 1.0000 
1 1 1 6  0  45 o 18 1.80689e+02 5.62541e+00 1.28607e+02 225.000 -3.53782e+00 -3.53782e+00 0.00000e+00 0.00000e+00 2.87010e+02 225.000 1.58403e+02 225.000 0.9999 
1 1 1 6  0  46 o 10 2.00858e+02 5.95113e+00 3.15521e+02 270.000 -8.09057e-16 -1.32129e+01 0.00000e+00 0.00000e+00 1.44720e+02 270.000 1.70801e+02 90.000  1.0000 
1 1 1 6  0  47 o 2  1.42181e+02 6.42924e+00 5.54865e+01 135.000 -1.29656e+00 1.29656e+00  0.00000e+00 0.00000e+00 2.52833e+02 135.000 1.97347e+02 135.000 0.9502 
1 1 1 6  0  48 o 8  1.09231e+02 8.13608e+00 1.13070e+02 180.000 -3.20679e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.34385e+02 180.000 2.13148e+01 180.000 0.9967 
1 1 1 6  0  49 o 5  1.48546e+02 6.68632e+00 4.14091e+01 225.000 -1.40330e+00 -1.40330e+00 0.00000e+00 0.00000e+00 2.82340e+02 225.000 2.40931e+02 225.000 0.9629 
1 1 1 6  0  50 o 19 1.51638e+02 6.54821e+00 1.86682e+02 90.000  5.70657e-16  9.31954e+00  0.00000e+00 0.00000e+00 1.55070e+02 90.000  3.16123e+01 270.000 1.0000 
1 1 1 6  0  51 o 9  9.64597e+01 8.90352e+00 1.67457e+02 315.000 3.77217e+00  -3.77217e+00 0.00000e+00 0.00000e+00 4.89823e+01 315.000 1.18475e+02 135.000 1.0000 
1 1 1 6  0  52 o 13 3.06446e+02 6.19121e+00 3.36587e+02 0.000   3.71050e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.48010e+02 0.000   1.14231e+01 0.000   1.0000 
1 1 1 6  0  53 o 10 1.34924e+02 7.79727e+00 1.73931e+02 45.000  7.15755e+00  7.15755e+00  0.00000e+00 0.00000e+00 1.26125e+02 45.000  4.78057e+01 225.000 1.0000 
1 1 1 6  0  54 o 2  4.34304e+01 1.92603e+01 2.10991e+01 90.000  1.87206e-17  3.05730e-01  0.00000e+00 0.00000e+00 7.41090e+00 90.000  1.36882e+01 270.000 0.2965 
1 1 1 6  0  55 o 2  1.98417e+01 1.37165e+01 3.38898e+01 315.000 2.15917e-01  -2.15917e-01 0.00000e+00 0.00000e+00 2.09408e+01 135.000 5.48307e+01 135.000 0.2962 
1 1 1 6  0  56 o 14 2.05197e+02 8.30442e+00 1.39589e+02 180.000 -1.54933e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.10356e+02 180.000 1.70767e+02 180.000 1.0000 
1 1 1 6  0  57 f 0  1.07586e+02 1.34583e+01 1.80861e+02 225.000 -7.30612e+00 -7.30612e+00 0.00000e+00 0.00000e+00 5.38995e+01 225.000 1.26962e+02 45.000  1.0000 
1 1 1 6  0  58 o 18 1.26519e+02 7.12484e+00 1.17361e+02 90.000  5.92562e-16  9.67727e+00  0.00000e+00 0.00000e+00 1.57347e+02 90.000  3.99867e+01 90.000  1.0000 
1 1 1 6  0  59 o 7  2.57914e+01 1.56357e+01 2.76162e+01 315.000 2.80000e-01  -2.80000e-01 0.00000e+00 0.00000e+00 6.63803e+00 135.000 3.42543e+01 135.000 0.3765 
1 1 1 6  0  60 o 12 5.47545e+01 1.57443e+01 2.28981e+01 0.000   7.54944e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.21944e+01 0.000   2.92963e+01 0.000   0.6381 
1 1 1 6  0  61 o 12 6.78034e+01 1.27941e+01 3.73169e+01 45.000  1.25879e+00  1.25879e+00  0.00000e+00 0.00000e+00 9.96393e+01 45.000  6.23224e+01 45.000  0.9447 
1 1 1 6  0  62 o 3  1.21032e+02 7.38524e+00 1.85683e+02 270.000 -1.02553e-15 -1.67482e+01 0.00000e+00 0.00000e+00 7.17266e+01 270.000 1.13957e+02 90.000  1.0000 
1 1 1 6  0  63 o 8  1.13125e+02 7.71790e+00 6.62492e+01 315.000 4.45811e+00  -4.45811e+00 0.00000e+00 0.00000e+00 1.73048e+02 315.000 1.06798e+02 315.000 1.0000 
1 1 1 6  0  64 o 14 1.19203e+02 8.24072e+00 1.20357e+02 180.000 -1.30896e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.30423e+02 180.000 1.00661e+01 180.000 1.0000 
1 1 1 6  0  65 o 19 1.23126e+02 8.86047e+00 8.73588e+01 225.000 -7.79987e+00 -7.79987e+00 0.00000e+00 0.00000e+00 1.70235e+02 225.000 8.28760e+01 225.000 1.0000 
1 1 1 6  0  66 o 17 1.08109e+02 9.60389e+00 8.72319e+01 90.000  6.21631e-16  1.01520e+01  0.00000e+00 0.00000e+00 1.37671e+02 90.000  5.04388e+01 90.000  1.0000 
1 1 1 6  0  67 o 8  2.31752e+01 1.53998e+01 2.02552e+01 135.000 -3.42895e-01 3.42895e-01  0.00000e+00 0.00000e+00 1.32477e+00 135.000 1.89304e+01 315.000 0.4502 
1 1 1 6  0  68 o 10 2.33886e+01 1.54981e+01 2.93341e+01 0.000   7.63397e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.59563e+00 0.000   2.77385e+01 180.000 0.6431 
1 1 1 6  1  0  o 15 1.46406e+02 3.90465e+00 3.77486e+01 0.000   1.42903e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.44259e+01 0.000   2.33227e+01 180.000 0.1419 
1 1 1 6  1  1  o 2  4.52418e+02 3.45966e+00 3.58725e+02 199.646 -7.87659e+00 -2.81178e+00 0.00000e+00 0.00000e+00 7.06885e+02 199.646 3.48160e+02 199.646 0.9382 
1 1 1 6  1  2  o 2  4.85717e+02 3.49875e+00 6.56666e+02 273.462 9.83128e-01  -1.62490e+01 0.00000e+00 0.00000e+00 5.24564e+02 273.462 1.32102e+02 93.462  0.9688 
1 1 1 6  1  3  o 13 6.23380e+02 4.46589e+00 8.29869e+02 88.749  5.67000e-01  2.59721e+01  0.00000e+00 0.00000e+00 7.04251e+02 88.749  1.25618e+02 268.749 0.9806 
1 1 1 6  1  4  o 12 5.28459e+02 3.73893e+00 6.24043e+02 230.865 -1.02347e+01 -1.25783e+01 0.00000e+00 0.00000e+00 6.60304e+02 230.865 3.62609e+01 230.865 0.9687 
1 1 1 6  1  5  f 0  5.61726e+02 3.80223e+00 6.77599e+02 352.585 1.80745e+01  -2.35212e+00 0.00000e+00 0.00000e+00 6.92016e+02 352.585 1.44170e+01 352.585 0.9722 
1 1 1 6  1  6  o 5  6.92866e+02 4.55490e+00 7.90852e+02 162.884 -4.13119e+01 1.27218e+01  0.00000e+00 0.00000e+00 9.25839e+02 162.884 1.34988e+02 162.884 0.9884 
1 1 1 6  1  7  o 2  9.51942e+02 6.10074e+00 1.12067e+03 270.922 1.30566e+00  -8.11437e+01 0.00000e+00 0.00000e+00 1.24961e+03 270.922 1.28942e+02 270.922 0.9938 
1 1 1 6  1  8  f 0  6.27752e+02 4.18445e+00 8.77326e+02 79.417  7.42360e+00  3.97314e+01  0.00000e+00 0.00000e+00 6.74880e+02 79.417  2.02445e+02 259.417 0.9876 
1 1 1 6  1  9  f 0  6.88726e+02 4.53586e+00 6.61700e+02 352.424 3.18440e+01  -4.23560e+00 0.00000e+00 0.00000e+00 1.03444e+03 352.424 3.72738e+02 352.424 0.9843 
1 1 1 6  1  10 o 15 3.49105e+02 2.91808e+00 4.73990e+02 354.512 1.69069e+01  -1.62447e+00 0.00000e+00 0.00000e+00 3.72652e+02 354.512 1.01339e+02 174.512 0.9701 
1 1 1 6  1  11 o 7  3.74074e+02 3.11811e+00 5.98934e+02 57.359  1.18955e+01  1.85714e+01  0.00000e+00 0.00000e+00 3.13943e+02 57.359  2.84991e+02 237.359 0.9771 
1 1 1 6  1  12 o 7  2.70466e+02 2.67589e+00 1.89829e+02 82.480  6.34395e-01  4.80568e+00  0.00000e+00 0.00000e+00 4.10608e+02 82.480  2.20779e+02 82.480  0.8897 
1 1 1 6  1  13 o 1  4.92926e+02 3.77123e+00 6.21583e+02 209.471 -3.22059e+01 -1.81995e+01 0.00000e+00 0.00000e+00 5.90312e+02 209.471 3.12710e+01 29.471  0.9864 
1 1 1 6  1  14 o 16 3.57856e+01 6.99583e+00 2.25310e+01 295.462 3.99412e-02  -8.38821e-02 0.00000e+00 0.00000e+00 1.83969e+01 115.462 4.09279e+01 115.462 0.0464 
1 1 1 6  1  15 o 15 3.31170e+02 2.79071e+00 2.63074e+02 278.089 1.36393e+00  -9.59708e+00 0.00000e+00 0.00000e+00 5.16668e+02 278.089 2.53594e+02 278.089 0.9469 
1 1 1 6  1  16 f 0  1.88271e+02 2.52677e+00 2.76252e+02 73.799  2.10338e+00  7.23957e+00  0.00000e+00 0.00000e+00 1.59044e+02 73.799  1.17208e+02 253.799 0.9311 
1 1 1 6  1  17 o 18 2.46135e+02 2.70881e+00 3.22165e+02 177.911 -1.10756e+01 4.04046e-01  0.00000e+00 0.00000e+00 2.59937e+02 177.911 6.22279e+01 357.911 0.9538 
1 1 1 6  1  18 o 6  1.71349e+02 2.79271e+00 3.35618e+02 136.694 -6.30752e+00 5.94514e+00  0.00000e+00 0.00000e+00 6.33424e+01 136.694 2.72275e+02 316.694 0.9404 
1 1 1 6  1  19 o 6  4.09695e+02 3.33847e+00 4.23085e+02 80.281  4.25580e+00  2.48488e+01  0.00000e+00 0.00000e+00 5.69361e+02 80.281  1.46276e+02 80.281  0.9800 
1 1 1 6  1  20 o 18 2.88232e+02 2.68754e+00 2.92727e+02 121.562 -7.15216e+00 1.16428e+01  0.00000e+00 0.00000e+00 3.92022e+02 121.562 9.92952e+01 121.562 0.9627 
1 1 1 6  1  21 o 6  2.87521e+02 2.75301e+00 4.69199e+02 211.468 -2.28078e+01 -1.39590e+01 0.00000e+00 0.00000e+00 2.25715e+02 211.468 2.43484e+02 31.468  0.9811 
1 1 1 6  1  22 o 13 4.08326e+02 3.27753e+00 5.00754e+02 338.217 3.63712e+01  -1.45349e+01 0.00000e+00 0.00000e+00 4.90361e+02 338.217 1.03926e+01 158.217 0.9872 
1 1 1 6  1  23 o 2  2.70338e+02 2.90665e+00 3.27877e+02 58.375  7.63473e+00  1.23980e+01  0.00000e+00 0.00000e+00 3.12351e+02 58.375  1.55267e+01 238.375 0.9650 
1 1 1 6  1  24 o 10 2.61108e+02 2.61358e+00 4.16241e+02 189.446 -1.67129e+01 -2.78050e+00 0.00000e+00 0.00000e+00 2.04074e+02 189.446 2.12167e+02 9.446   0.9700 
1 1 1 6  1  25 o 12 1.92829e+02 2.55051e+00 3.93756e+02 68.226  4.25738e+00  1.06585e+01  0.00000e+00 0.00000e+00 5.64840e+01 68.226  3.37272e+02 248.226 0.9554 
1 1 1 6  1  26 o 13 4.65700e+02 3.87691e+00 4.92489e+02 194.950 -3.87490e+01 -1.03462e+01 0.00000e+00 0.00000e+00 6.28907e+02 194.950 1.36417e+02 194.950 0.9875 
1 1 1 6  1  27 o 19 1.33771e+02 2.83544e+00 3.10107e+02 73.883  1.92119e+00  6.64863e+00  0.00000e+00 0.00000e+00 9.16990e+00 253.883 3.19277e+02 253.883 0.9246 
1 1 1 6  1  28 o 2  4.71688e+02 3.61124e+00 4.29153e+02 158.316 -2.59916e+01 1.03350e+01  0.00000e+00 0.00000e+00 6.95091e+02 158.316 2.65938e+02 158.316 0.9820 
1 1 1 6  1  29 o 13 2.36718e+02 2.61075e+00 3.62745e+02 112.216 -5.30541e+00 1.29900e+01  0.00000e+00 0.00000e+00 1.89598e+02 112.216 1.73147e+02 292.216 0.9637 
1 1 1 6  1  30 o 18 1.55811e+02 2.54791e+00 2.04182e+02 30.555  3.67467e+00  2.16927e+00  0.00000e+00 0.00000e+00 1.24353e+02 30.555  7.98292e+01 210.555 0.8731 
1 1 1 6  1  31 o 2  2.92584e+02 2.75500e+00 3.25757e+02 44.294  8.81200e+00  8.59749e+00  0.00000e+00 0.00000e+00 3.49755e+02 44.294  2.39985e+01 44.294  0.9585 
1 1 1 6  1  32 o 11 3.03602e+02 3.73083e+00 3.56388e+02 15.207  1.71850e+01  4.67142e+00  0.00000e+00 0.00000e+00 3.52156e+02 15.207  4.23138e+00 195.207 0.9715 
1 1 1 6  1  33 o 1  5.43743e+02 4.03800e+00 6.26294e+02 311.025 3.40099e+01  -3.90898e+01 0.00000e+00 0.00000e+00 6.63620e+02 311.025 3.73254e+01 311.025 0.9903 
1 1 1 6  1  34 o 16 3.08766e+02 3.02639e+00 3.66393e+02 128.237 -1.27399e+01 1.61681e+01  0.00000e+00 0.00000e+00 3.52982e+02 128.237 1.34110e+01 308.237 0.9754 
1 1 1 6  1  35 o 11 4.88665e+02 4.12708e+00 3.63075e+02 279.889 6.07401e+00  -3.48416e+01 0.00000e+00 0.00000e+00 7.84109e+02 279.889 4.21034e+02 279.889 0.9858 
1 1 1 6  1  36 o 18 3.02597e+02 3.03077e+00 3.59405e+02 84.556  1.99957e+00  2.09830e+01  0.00000e+00 0.00000e+00 3.41772e+02 84.556  1.76332e+01 264.556 0.9760 
1 1 1 6  1  37 o 5  8.78438e+01 4.53289e+00 1.02905e+02 8.937   1.78001e+00  2.79931e-01  0.00000e+00 0.00000e+00 3.48122e+01 8.937   6.80929e+01 188.937 0.6624 
1 1 1 6  1  38 o 11 1.79246e+02 3.34863e+00 1.55098e+02 148.548 -5.44710e+00 3.33176e+00  0.00000e+00 0.00000e+00 2.33071e+02 148.548 7.79732e+01 148.548 0.9180 
1 1 1 6  1  39 o 4  8.73363e+01 4.84796e+00 1.41979e+02 206.388 -2.80396e+00 -1.39119e+00 0.00000e+00 0.00000e+00 2.62385e+01 206.388 1.15740e+02 26.388  0.8192 
1 1 1 6  1  40 o 10 2.70121e+02 4.55236e+00 2.28734e+02 4.317   1.59556e+01  1.20448e+00  0.00000e+00 0.00000e+00 3.84127e+02 4.317   1.55393e+02 4.317   0.9682 
1 1 1 6  1  41 o 11 4.52354e+01 1.03258e+01 1.26259e+02 83.174  1.93791e-01  1.61897e+00  0.00000e+00 0.00000e+00 6.00517e+01 263.174 1.86310e+02 263.174 0.6268 
1 1 1 6  1  42 f 0  3.36932e+02 3.66236e+00 4.41253e+02 161.695 -4.73971e+01 1.56798e+01  0.00000e+00 0.00000e+00 3.34819e+02 161.695 1.06434e+02 341.695 0.9899 
1 1 1 6  1  44 o 6  3.90831e+02 3.86059e+00 4.26588e+02 213.715 -5.31513e+01 -3.54671e+01 0.00000e+00 0.00000e+00 4.68971e+02 213.715 4.23833e+01 213.715 0.9921 
1 1 1 6  1  45 o 12 1.75797e+02 4.16738e+00 1.65924e+02 145.272 -1.02951e+01 7.13626e+00  0.00000e+00 0.00000e+00 2.22039e+02 145.272 5.61150e+01 145.272 0.9592 
1 1 1 6  1  46 o 16 2.38052e+02 3.70493e+00 3.35812e+02 15.112  3.27809e+01  8.85213e+00  0.00000e+00 0.00000e+00 2.01639e+02 15.112  1.34172e+02 195.112 0.9852 
1 1 1 6  1  47 o 12 6.92419e+01 9.01008e+00 1.08453e+02 16.039  3.24463e+00  9.32755e-01  0.00000e+00 0.00000e+00 2.34147e+01 16.039  8.50379e+01 196.039 0.8344 
1 1 1 6  1  48 o 4  2.86538e+01 9.08782e+00 5.95874e+01 214.002 -7.12944e-01 -4.80918e-01 0.00000e+00 0.00000e+00 3.38857e+01 34.002  9.34731e+01 34.002  0.3946 
1 1 1 6  1  49 o 6  1.02880e+02 5.91320e+00 1.74536e+02 78.428  2.29914e+00  1.12286e+01  0.00000e+00 0.00000e+00 4.79496e+01 78.428  1.26586e+02 258.428 0.9553 
1 1 1 6  1  50 o 5  2.40379e+02 3.72389e+00 2.74719e+02 286.594 1.24665e+01  -4.18352e+01 0.00000e+00 0.00000e+00 2.60867e+02 286.594 1.38520e+01 106.594 0.9885 
1 1 1 6  1  51 o 1  1.19466e+02 5.55163e+00 1.80417e+02 332.836 1.27297e+01  -6.53200e+00 0.00000e+00 0.00000e+00 7.81502e+01 332.836 1.02266e+02 152.836 0.9644 
1 1 1 6  1  52 o 18 2.51551e+02 4.86307e+00 3.02274e+02 64.078  2.37910e+01  4.89485e+01  0.00000e+00 0.00000e+00 2.54582e+02 64.078  4.76918e+01 244.078 0.9908 
1 1 1 6  1  53 o 7  4.88273e+01 1.07890e+01 4.61405e+01 215.184 -1.46543e+00 -1.03314e+00 0.00000e+00 0.00000e+00 2.56106e+01 215.184 2.05299e+01 35.184  0.6607 
1 1 1 6  1  54 o 6  6.34853e+01 9.98954e+00 1.00505e+02 7.390   4.50125e+00  5.83795e-01  0.00000e+00 0.00000e+00 2.33886e+01 7.390   7.71165e+01 187.390 0.8815 
1 1 1 6  1  55 o 15 5.31334e+01 9.87850e+00 1.93281e+01 326.033 7.69803e-01  -5.18601e-01 0.00000e+00 0.00000e+00 2.98902e+01 326.033 1.05621e+01 326.033 0.4204 
1 1 1 6  1  56 o 5  1.05099e+02 6.33998e+00 1.26255e+02 222.373 -1.05198e+01 -9.59691e+00 0.00000e+00 0.00000e+00 9.59867e+01 222.373 3.02682e+01 42.373  0.9642 
1 1 1 6  1  58 o 16 1.25558e+02 4.76820e+00 1.36313e+02 226.659 -1.53497e+01 -1.62654e+01 0.00000e+00 0.00000e+00 1.30180e+02 226.659 6.13295e+00 46.659  0.9774 
1 1 1 6  1  59 o 13 1.53307e+02 4.71679e+00 1.10232e+02 156.941 -1.96243e+01 8.35371e+00  0.00000e+00 0.00000e+00 2.13152e+02 156.941 1.02919e+02 156.941 0.9763 
1 1 1 6  1  60 o 7  1.07681e+02 5.42417e+00 4.35207e+01 104.236 -1.57934e+00 6.22520e+00  0.00000e+00 0.00000e+00 1.69076e+02 104.236 1.25555e+02 104.236 0.9185 
1 1 1 6  1  61 o 16 4.09604e+01 9.99380e+00 6.01700e+01 155.393 -3.06662e+00 1.40448e+00  0.00000e+00 0.00000e+00 1.28960e+01 155.393 4.72740e+01 335.393 0.8342 
1 1 1 6  1  62 o 13 4.35130e+01 1.04659e+01 5.77897e+01 32.917  2.78044e+00  1.79993e+00  0.00000e+00 0.00000e+00 1.90928e+01 32.917  3.86969e+01 212.917 0.8307 
1 1 1 6  1  63 o 10 1.19601e+02 5.61202e+00 1.03328e+02 148.905 -1.77314e+01 1.06940e+01  0.00000e+00 0.00000e+00 1.43518e+02 148.905 4.01907e+01 148.905 0.9755 
1 1 1 6  1  64 o 18 4.22498e+01 1.10024e+01 7.01899e+01 315.220 3.28781e+00  -3.26268e+00 0.00000e+00 0.00000e+00 8.40301e+00 315.220 6.17869e+01 135.220 0.8841 
1 1 1 6  1  65 o 6  9.76258e+01 6.95635e+00 9.31393e+01 301.137 9.44876e+00  -1.56407e+01 0.00000e+00 0.00000e+00 1.05464e+02 301.137 1.23248e+01 301.137 0.9722 
1 1 1 6  1  66 o 9  7.18575e+01 9.79111e+00 8.91719e+01 179.192 -1.24007e+01 1.74881e-01  0.00000e+00 0.00000e+00 5.41763e+01 179.192 3.49956e+01 359.192 0.9588 
1 1 1 6  1  67 o 10 3.63754e+01 1.06241e+01 5.22203e+01 342.522 3.78659e+00  -1.19227e+00 0.00000e+00 0.00000e+00 1.26723e+01 342.522 3.95479e+01 162.522 0.8624 
1 1 1 6  1  68 o 14 3.51845e+01 1.06594e+01 2.92776e+01 3.932   2.31959e+00  1.59427e-01  0.00000e+00 0.00000e+00 2.46013e+01 3.932   4.67626e+00 183.932 0.7446 
1 1 1 6  2  0  o 3  1.34221e+02 3.50438e+00 2.92769e+02 0.000   9.57017e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.22960e+01 180.000 3.35065e+02 180.000 0.7429 
1 1 1 6  2  1  o 12 1.56648e+02 2.45879e+00 4.19739e+02 258.370 -6.43740e-01 -3.12769e+00 0.00000e+00 0.00000e+00 9.58035e+01 78.370  5.15543e+02 78.370  0.8233 
1 1 1 6  2  2  o 5  3.27744e+02 2.74428e+00 1.69108e+02 44.197  1.91282e+00  1.85995e+00  0.00000e+00 0.00000e+00 4.74628e+02 44.197  3.05520e+02 44.197  0.7821 
1 1 1 6  2  3  o 3  5.58790e+02 3.97349e+00 5.85515e+02 219.469 -2.03678e+01 -1.67712e+01 0.00000e+00 0.00000e+00 7.90662e+02 219.469 2.05147e+02 219.469 0.9809 
1 1 1 6  2  4  o 13 4.89369e+02 3.57788e+00 5.46206e+02 280.402 3.81728e+00  -2.07954e+01 0.00000e+00 0.00000e+00 6.52736e+02 280.402 1.06530e+02 280.402 0.9761 
1 1 1 6  2  5  o 7  1.45068e+02 2.67885e+00 3.26779e+02 40.170  2.79792e+00  2.36194e+00  0.00000e+00 0.00000e+00 1.77081e+01 220.170 3.44487e+02 220.170 0.8491 
1 1 1 6  2  6  o 17 9.28047e+02 6.22996e+00 1.17916e+03 234.277 -4.78243e+01 -6.64973e+01 0.00000e+00 0.00000e+00 1.13404e+03 234.277 4.51243e+01 54.277  0.9939 
1 1 1 6  2  7  o 9  8.07871e+02 5.47595e+00 1.00757e+03 22.226  5.46734e+01  2.23410e+01  0.00000e+00 0.00000e+00 1.00015e+03 22.226  7.42218e+00 202.226 0.9915 
1 1 1 6  2  8  o 19 2.71812e+02 2.73311e+00 3.23420e+02 281.787 1.26098e+00  -6.04280e+00 0.00000e+00 0.00000e+00 2.99540e+02 281.787 2.38806e+01 101.787 0.9150 
1 1 1 6  2  9  o 7  6.81467e+02 4.96879e+00 9.27971e+02 276.503 7.33376e+00  -6.43382e+01 0.00000e+00 0.00000e+00 7.64546e+02 276.503 1.63425e+02 96.503  0.9922 
1 1 1 6  2  10 o 1  3.01518e+02 3.01187e+00 5.10522e+02 284.326 3.76334e+00  -1.47358e+01 0.00000e+00 0.00000e+00 2.18343e+02 284.326 2.92179e+02 104.326 0.9665 
1 1 1 6  2  11 o 2  4.95109e+02 3.85378e+00 6.52161e+02 209.532 -2.66853e+01 -1.51177e+01 0.00000e+00 0.00000e+00 5.64643e+02 209.532 8.75177e+01 29.532  0.9836 
1 1 1 6  2  12 o 2  2.25191e+02 2.67152e+00 3.53156e+02 240.176 -4.82746e+00 -8.42107e+00 0.00000e+00 0.00000e+00 1.79181e+02 240.176 1.73974e+02 60.176  0.9470 
1 1 1 6  2  13 o 11 1.32400e+02 2.79776e+00 7.92874e+01 13.944  1.19529e+00  2.96780e-01  0.00000e+00 0.00000e+00 9.32006e+01 13.944  1.39132e+01 13.944  0.5225 
1 1 1 6  2  14 o 14 1.93428e+02 2.62406e+00 3.68799e+02 140.593 -6.21918e+00 5.10980e+00  0.00000e+00 0.00000e+00 8.19603e+01 140.593 2.86838e+02 320.593 0.9356 
1 1 1 6  2  15 o 12 8.14036e+01 3.81487e+00 1.86338e+02 136.029 -1.60310e+00 1.54652e+00  0.00000e+00 0.00000e+00 3.81508e+01 316.029 2.24489e+02 316.029 0.7318 
1 1 1 6  2  16 o 18 5.00285e+02 3.50497e+00 5.32737e+02 71.730  1.18483e+01  3.58891e+01  0.00000e+00 0.00000e+00 6.93527e+02 71.730  1.60791e+02 71.730  0.9867 
1 1 1 6  2  17 o 5  6.02683e+02 4.24863e+00 4.66741e+02 45.834  2.99810e+01  3.08671e+01  0.00000e+00 0.00000e+00 1.01085e+03 45.834  5.44107e+02 45.834  0.9883 
1 1 1 6  2  18 o 11 1.79914e+02 2.92850e+00 2.77555e+02 43.433  5.36790e+00  5.08207e+00  0.00000e+00 0.00000e+00 1.36739e+02 43.433  1.40816e+02 223.433 0.9297 
1 1 1 6  2  19 o 18 1.52904e+02 2.61503e+00 1.88931e+02 3.028   4.75415e+00  2.51514e-01  0.00000e+00 0.00000e+00 1.46668e+02 3.028   4.22636e+01 183.028 0.8875 
1 1 1 6  2  20 o 11 1.51712e+02 2.72110e+00 1.50779e+02 85.151  3.08660e-01  3.63807e+00  0.00000e+00 0.00000e+00 1.67075e+02 85.151  1.62956e+01 85.151  0.8486 
1 1 1 6  2  21 o 4  9.88792e+01 3.47503e+00 1.11863e+02 153.352 -1.92934e+00 9.68154e-01  0.00000e+00 0.00000e+00 6.41212e+01 153.352 4.77414e+01 333.352 0.7222 
1 1 1 6  2  22 o 19 1.42688e+02 2.69275e+00 2.64266e+02 255.076 -1.62425e+00 -6.09410e+00 0.00000e+00 0.00000e+00 5.75566e+01 255.076 2.06710e+02 75.076  0.9169 
1 1 1 6  2  23 o 8  4.25111e+02 3.21509e+00 5.16779e+02 176.905 -3.56240e+01 1.92600e+00  0.00000e+00 0.00000e+00 5.12193e+02 176.905 4.58634e+00 356.905 0.9859 
1 1 1 6  2  24 o 10 4.20583e+02 3.24913e+00 5.05668e+02 272.050 1.17160e+00  -3.27316e+01 0.00000e+00 0.00000e+00 5.08973e+02 272.050 3.30497e+00 272.050 0.9846 
1 1 1 6  2  25 o 19 3.62183e+02 2.83266e+00 4.63633e+02 250.429 -1.00632e+01 -2.83057e+01 0.00000e+00 0.00000e+00 4.07035e+02 250.429 5.65977e+01 70.429  0.9832 
1 1 1 6  2  26 o 19 3.57388e+02 2.82648e+00 5.57129e+02 80.458  5.71731e+00  3.40119e+01  0.00000e+00 0.00000e+00 3.02025e+02 80.458  2.55104e+02 260.458 0.9854 
1 1 1 6  2  27 o 6  1.93309e+02 2.49093e+00 2.69525e+02 126.348 -5.09297e+00 6.92101e+00  0.00000e+00 0.00000e+00 1.72707e+02 126.348 9.68175e+01 306.348 0.9399 
1 1 1 6  2  28 o 10 2.92394e+02 2.64964e+00 3.43191e+02 78.384  2.76327e+00  1.34425e+01  0.00000e+00 0.00000e+00 3.40445e+02 78.384  2.74568e+00 258.384 0.9628 
1 1 1 6  2  29 o 17 3.74013e+02 3.20667e+00 4.61158e+02 255.479 -6.98785e+00 -2.69788e+01 0.00000e+00 0.00000e+00 4.28411e+02 255.479 3.27468e+01 75.479  0.9819 
1 1 1 6  2  30 o 15 2.62037e+02 2.52626e+00 2.77540e+02 288.992 3.13959e+00  -9.12228e+00 0.00000e+00 0.00000e+00 3.21812e+02 288.992 4.42718e+01 288.992 0.9467 
1 1 1 6  2  31 o 17 4.49742e+02 3.27623e+00 3.85455e+02 322.487 2.32971e+01  -1.78851e+01 0.00000e+00 0.00000e+00 6.79722e+02 322.487 2.94268e+02 322.487 0.9828 
1 1 1 6  2  32 f 0  3.46010e+02 2.84650e+00 2.67411e+02 353.686 1.44215e+01  -1.59569e+00 0.00000e+00 0.00000e+00 5.34956e+02 353.686 2.67545e+02 353.686 0.9649 
1 1 1 6  2  33 f 0  1.56631e+02 2.82949e+00 1.02457e+02 144.802 -2.45680e+00 1.73295e+00  0.00000e+00 0.00000e+00 2.01768e+02 144.802 9.93106e+01 144.802 0.8105 
1 1 1 6  2  34 o 9  6.95300e+01 5.37383e+00 1.07427e+02 6.735   1.51368e+00  1.78763e-01  0.00000e+00 0.00000e+00 7.39477e+00 186.735 1.14822e+02 186.735 0.6021 
1 1 1 6  2  35 o 5  3.55122e+02 3.20960e+00 4.18471e+02 326.615 2.47500e+01  -1.63106e+01 0.00000e+00 0.00000e+00 4.13218e+02 326.615 5.25322e+00 146.615 0.9830 
1 1 1 6  2  36 o 1  5.12509e+02 3.96304e+00 4.29796e+02 193.223 -4.40044e+01 -1.03400e+01 0.00000e+00 0.00000e+00 7.73991e+02 193.223 3.44195e+02 193.223 0.9889 
1 1 1 6  2  37 o 7  3.96654e+02 3.79264e+00 4.03377e+02 15.686  3.39172e+01  9.52469e+00  0.00000e+00 0.00000e+00 5.22379e+02 15.686  1.19002e+02 15.686  0.9857 
1 1 1 6  2  38 o 8  3.79088e+02 3.34897e+00 4.47539e+02 241.383 -1.85037e+01 -3.39137e+01 0.00000e+00 0.00000e+00 4.35495e+02 241.383 1.20438e+01 61.383  0.9870 
1 1 1 6  2  39 o 4  5.03690e+02 3.80980e+00 4.92863e+02 84.665  5.79542e+00  6.20581e+01  0.00000e+00 0.00000e+00 6.82420e+02 84.665  1.89557e+02 84.665  0.9919 
1 1 1 6  2  41 o 8  1.61889e+02 3.39236e+00 1.85734e+02 185.312 -8.76252e+00 -8.14782e-01 0.00000e+00 0.00000e+00 1.70272e+02 185.312 1.54621e+01 5.312   0.9413 
1 1 1 6  2  42 o 13 2.15502e+02 2.88217e+00 3.32499e+02 17.331  2.19183e+01  6.83976e+00  0.00000e+00 0.00000e+00 1.58090e+02 17.331  1.74409e+02 197.331 0.9780 
1 1 1 6  2  44 o 18 3.16297e+02 3.02675e+00 3.38479e+02 126.744 -2.44514e+01 3.27510e+01  0.00000e+00 0.00000e+00 3.83347e+02 126.744 4.48673e+01 126.744 0.9877 
1 1 1 6  2  45 o 3  3.61687e+02 3.16718e+00 3.10253e+02 252.256 -1.46883e+01 -4.59041e+01 0.00000e+00 0.00000e+00 5.13561e+02 252.256 2.03308e+02 252.256 0.9896 
1 1 1 6  2  46 o 2  1.97116e+02 2.92758e+00 1.54949e+02 342.756 1.23456e+01  -3.83196e+00 0.00000e+00 0.00000e+00 2.79128e+02 342.756 1.24179e+02 342.756 0.9605 
1 1 1 6  2  47 o 15 1.52497e+02 3.16508e+00 1.09118e+02 120.202 -3.88403e+00 6.67283e+00  0.00000e+00 0.00000e+00 2.15705e+02 120.202 1.06587e+02 120.202 0.9328 
1 1 1 6  2  48 o 15 8.46427e+01 4.68577e+00 1.24021e+02 247.990 -1.91493e+00 -4.73729e+00 0.00000e+00 0.00000e+00 4.84256e+01 247.990 7.55954e+01 67.990  0.8959 
1 1 1 6  2  49 o 15 4.80937e+01 7.58676e+00 3.91564e+01 228.921 -7.73360e-01 -8.87171e-01 0.00000e+00 0.00000e+00 1.59093e+01 228.921 2.32470e+01 48.921  0.5056 
1 1 1 6  2  50 o 17 1.76631e+02 3.35661e+00 1.87000e+02 46.638  1.52756e+01  1.61752e+01  0.00000e+00 0.00000e+00 2.02249e+02 46.638  1.52494e+01 46.638  0.9773 
1 1 1 6  2  51 f 0  7.39567e+01 8.23595e+00 5.07024e+01 39.568  1.85877e+00  1.53598e+00  0.00000e+00 0.00000e+00 7.46628e+01 39.568  2.39604e+01 39.568  0.7550 
1 1 1 6  2  52 o 17 8.27971e+01 7.94248e+00 1.17602e+02 307.195 3.96687e+00  -5.22715e+00 0.00000e+00 0.00000e+00 5.27192e+01 307.195 6.48827e+01 127.195 0.9203 
1 1 1 6  2  53 o 14 1.03097e+02 5.88749e+00 1.10885e+02 302.279 5.21529e+00  -8.25655e+00 0.00000e+00 0.00000e+00 1.06439e+02 302.279 4.44597e+00 122.279 0.9473 
1 1 1 6  2  54 o 11 1.35742e+02 4.51462e+00 1.00356e+02 52.576  7.92378e+00  1.03550e+01  0.00000e+00 0.00000e+00 1.88531e+02 52.576  8.81749e+01 52.576  0.9609 
1 1 1 6  2  55 o 10 5.29675e+01 1.09696e+01 9.57130e+01 337.072 4.11054e+00  -1.73875e+00 0.00000e+00 0.00000e+00 6.95410e+00 337.072 8.87589e+01 157.072 0.8792 
1 1 1 6  2  56 o 4  1.62875e+02 4.09730e+00 1.56365e+02 339.024 2.61370e+01  -1.00203e+01 0.00000e+00 0.00000e+00 1.94540e+02 339.024 3.81752e+01 339.024 0.9820 
1 1 1 6  2  58 o 7  4.23572e+01 9.80253e+00 5.09143e+01 282.517 5.51245e-01  -2.48303e+00 0.00000e+00 0.00000e+00 1.99098e+01 282.517 3.10045e+01 102.517 0.7696 
1 1 1 6  2  59 o 13 6.58494e+01 8.41358e+00 5.17733e+01 185.145 -4.00523e+00 -3.60606e-01 0.00000e+00 0.00000e+00 7.12562e+01 185.145 1.94829e+01 185.145 0.8643 
1 1 1 6  2  60 o 1  6.94836e+01 7.58691e+00 6.92468e+01 249.460 -2.21365e+00 -5.90820e+00 0.00000e+00 0.00000e+00 6.77632e+01 249.460 1.48361e+00 69.460  0.9169 
1 1 1 6  2  61 o 18 1.11270e+02 5.27726e+00 9.97891e+01 49.033  1.12704e+01  1.29801e+01  0.00000e+00 0.00000e+00 1.31221e+02 49.033  3.14323e+01 49.033  0.9705 
1 1 1 6  2  62 o 14 6.62987e+01 8.96891e+00 6.97711e+01 273.151 4.02040e-01  -7.30358e+00 0.00000e+00 0.00000e+00 6.12796e+01 273.151 8.49152e+00 93.151  0.9289 
1 1 1 6  2  63 o 5  5.82123e+01 8.96764e+00 8.92784e+01 271.121 1.56338e-01  -7.98710e+00 0.00000e+00 0.00000e+00 2.59396e+01 271.121 6.33388e+01 91.121  0.9351 
1 1 1 6  2  64 o 2  3.51912e+01 9.82648e+00 3.36089e+01 256.369 -4.52328e-01 -1.86534e+00 0.00000e+00 0.00000e+00 1.70660e+01 256.369 1.65429e+01 76.369  0.6841 
1 1 1 6  2  65 o 2  2.87555e+01 9.20171e+00 4.43964e+01 138.806 -1.78879e+00 1.56561e+00  0.00000e+00 0.00000e+00 8.06256e-01 138.806 4.35902e+01 318.806 0.7509 
1 1 1 6  2  66 o 19 3.54078e+01 1.01411e+01 2.32803e+01 40.760  1.18865e+00  1.02455e+00  0.00000e+00 0.00000e+00 2.18838e+01 40.760  1.39653e+00 220.760 0.6128 
1 1 1 6  2  67 o 12 4.43475e+01 1.06348e+01 2.72978e+01 65.007  1.06588e+00  2.28653e+00  0.00000e+00 0.00000e+00 4.31401e+01 65.007  1.58423e+01 65.007  0.7675 
1 1 1 6  2  68 o 12 8.16720e+01 7.93369e+00 8.15171e+01 118.819 -8.18853e+00 1.48829e+01  0.00000e+00 0.00000e+00 8.15062e+01 118.819 1.09291e-02 298.819 0.9701 
1 1 1 6  3  0  o 13 2.81003e+02 3.66922e+00 3.71276e+02 0.000   3.95513e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.34532e+02 0.000   3.67437e+01 180.000 0.9993 
1 1 1 6  3  1  o 1  4.17737e+02 2.98485e+00 3.99726e+02 303.021 6.88022e+00  -1.05861e+01 0.00000e+00 0.00000e+00 6.07769e+02 303.021 2.08043e+02 303.021 0.9595 
1 1 1 6  3  2  o 9  3.45541e+02 2.65233e+00 4.41743e+02 10.427  1.12667e+01  2.07329e+00  0.00000e+00 0.00000e+00 3.87842e+02 10.427  5.39009e+01 190.427 0.9553 
1 1 1 6  3  3  o 17 6.50712e+02 4.22911e+00 8.35711e+02 305.009 2.31021e+01  -3.29816e+01 0.00000e+00 0.00000e+00 7.78846e+02 305.009 5.68646e+01 125.009 0.9875 
1 1 1 6  3  4  o 12 9.85776e+01 3.54629e+00 8.16148e+01 179.411 -5.85965e-01 6.02028e-03  0.00000e+00 0.00000e+00 1.20107e+01 359.411 9.36255e+01 359.411 0.2811 
1 1 1 6  3  5  o 12 7.52109e+02 5.58476e+00 9.25160e+02 162.270 -4.71853e+01 1.50860e+01  0.00000e+00 0.00000e+00 9.44136e+02 162.270 1.89764e+01 162.270 0.9899 
1 1 1 6  3  6  o 14 4.03384e+02 3.68125e+00 4.07166e+02 165.427 -1.10570e+01 2.87462e+00  0.00000e+00 0.00000e+00 5.59828e+02 165.427 1.52662e+02 165.427 0.9552 
1 1 1 6  3  7  o 1  1.05278e+03 7.87778e+00 1.37693e+03 156.804 -1.35807e+02 5.81960e+01  0.00000e+00 0.00000e+00 1.25479e+03 156.804 1.22135e+02 336.804 0.9966 
1 1 1 6  3  8  o 9  6.52996e+02 5.42522e+00 7.50369e+02 198.335 -4.62054e+01 -1.53125e+01 0.00000e+00 0.00000e+00 8.69570e+02 198.335 1.19201e+02 198.335 0.9897 
1 1 1 6  3  9  f 0  3.85603e+02 3.55077e+00 4.33496e+02 214.762 -1.32414e+01 -9.19009e+00 0.00000e+00 0.00000e+00 5.01911e+02 214.762 6.84158e+01 214.762 0.9685 
1 1 1 6  3  10 o 18 4.38744e+02 3.55108e+00 5.21115e+02 201.591 -1.98262e+01 -7.84616e+00 0.00000e+00 0.00000e+00 5.50892e+02 201.591 2.97769e+01 201.591 0.9763 
1 1 1 6  3  11 o 16 1.86018e+02 2.54858e+00 2.88234e+02 50.251  4.12677e+00  4.96207e+00  0.00000e+00 0.00000e+00 1.39173e+02 50.251  1.49060e+02 230.251 0.9189 
1 1 1 6  3  12 o 2  4.85577e+02 3.67871e+00 5.84826e+02 319.835 2.51920e+01  -2.12623e+01 0.00000e+00 0.00000e+00 6.09616e+02 319.835 2.47895e+01 319.835 0.9847 
1 1 1 6  3  13 o 1  2.70085e+02 3.26711e+00 1.66557e+02 317.669 3.72771e+00  -3.39564e+00 0.00000e+00 0.00000e+00 4.36197e+02 317.669 2.69640e+02 317.669 0.8944 
1 1 1 6  3  14 o 14 3.77372e+02 3.11288e+00 3.26230e+02 327.938 1.52951e+01  -9.58049e+00 0.00000e+00 0.00000e+00 5.87902e+02 327.938 2.61672e+02 327.938 0.9719 
1 1 1 6  3  15 o 2  3.92879e+02 3.20091e+00 5.21831e+02 20.149  2.73033e+01  1.00182e+01  0.00000e+00 0.00000e+00 4.39202e+02 20.149  8.26291e+01 200.149 0.9827 
1 1 1 6  3  16 o 2  2.24151e+02 2.64450e+00 2.90276e+02 49.665  6.46987e+00  7.61959e+00  0.00000e+00 0.00000e+00 2.38305e+02 49.665  5.19708e+01 229.665 0.9486 
1 1 1 6  3  17 o 7  1.52197e+02 2.97867e+00 1.87895e+02 22.292  3.93256e+00  1.61218e+00  0.00000e+00 0.00000e+00 1.41754e+02 22.292  4.61415e+01 202.292 0.8725 
1 1 1 6  3  18 o 8  7.96035e+01 3.94356e+00 1.65911e+02 320.169 1.67784e+00  -1.39946e+00 0.00000e+00 0.00000e+00 2.26783e+01 140.169 1.88589e+02 140.169 0.7259 
1 1 1 6  3  19 o 8  2.03983e+02 2.48301e+00 2.73172e+02 102.741 -1.97550e+00 8.73695e+00  0.00000e+00 0.00000e+00 2.02564e+02 102.741 7.06084e+01 282.741 0.9424 
1 1 1 6  3  20 o 13 1.39100e+02 3.01482e+00 1.41986e+02 158.892 -3.62891e+00 1.40089e+00  0.00000e+00 0.00000e+00 1.53270e+02 158.892 1.12838e+01 158.892 0.8592 
1 1 1 6  3  21 o 14 1.65291e+02 2.47898e+00 2.41358e+02 135.683 -5.45313e+00 5.32466e+00  0.00000e+00 0.00000e+00 1.38518e+02 135.683 1.02840e+02 315.683 0.9319 
1 1 1 6  3  22 o 16 3.14773e+02 3.33589e+00 2.49883e+02 19.991  1.21174e+01  4.40831e+00  0.00000e+00 0.00000e+00 4.94297e+02 19.991  2.44414e+02 19.991  0.9604 
1 1 1 6  3  23 o 8  2.10602e+02 2.42698e+00 2.67112e+02 246.412 -3.50867e+00 -8.03549e+00 0.00000e+00 0.00000e+00 2.19846e+02 246.412 4.72666e+01 66.412  0.9411 
1 1 1 6  3  24 o 9  4.69644e+02 3.27054e+00 6.68794e+02 230.619 -3.01355e+01 -3.67121e+01 0.00000e+00 0.00000e+00 4.70540e+02 230.619 1.98254e+02 50.619  0.9894 
1 1 1 6  3  25 o 16 2.53628e+02 2.56241e+00 3.99040e+02 266.349 -1.13154e+00 -1.77351e+01 0.00000e+00 0.00000e+00 2.03798e+02 266.349 1.95242e+02 86.349  0.9714 
1 1 1 6  3  26 o 8  2.19599e+02 2.42902e+00 3.68234e+02 230.223 -8.66607e+00 -1.04097e+01 0.00000e+00 0.00000e+00 1.47698e+02 230.223 2.20537e+02 50.223  0.9623 
1 1 1 6  3  27 o 6  4.58288e+02 3.64361e+00 4.99888e+02 282.263 6.75633e+00  -3.10827e+01 0.00000e+00 0.00000e+00 5.98710e+02 282.263 9.88219e+01 282.263 0.9842 
1 1 1 6  3  28 o 5  2.05053e+02 2.68314e+00 2.80360e+02 133.927 -6.55580e+00 6.80603e+00  0.00000e+00 0.00000e+00 1.90767e+02 133.927 8.95937e+01 313.927 0.9455 
1 1 1 6  3  29 f 0  4.99584e+02 4.21163e+00 4.61656e+02 299.662 1.81021e+01  -3.17855e+01 0.00000e+00 0.00000e+00 7.32683e+02 299.662 2.71027e+02 299.662 0.9862 
1 1 1 6  3  30 o 12 7.46194e+02 4.93071e+00 7.80300e+02 130.464 -4.90903e+01 5.75513e+01  0.00000e+00 0.00000e+00 1.01194e+03 130.464 2.31638e+02 130.464 0.9934 
1 1 1 6  3  31 o 3  3.12445e+02 2.77272e+00 3.71919e+02 216.917 -1.54604e+01 -1.16151e+01 0.00000e+00 0.00000e+00 3.61799e+02 216.917 1.01205e+01 36.917  0.9738 
1 1 1 6  3  32 o 19 1.68132e+02 2.86401e+00 2.29906e+02 119.091 -2.89469e+00 5.20269e+00  0.00000e+00 0.00000e+00 1.38716e+02 119.091 9.11906e+01 299.091 0.9116 
1 1 1 6  3  33 o 6  3.72837e+02 2.99909e+00 3.04316e+02 116.146 -9.20424e+00 1.87503e+01  0.00000e+00 0.00000e+00 5.68163e+02 116.146 2.63847e+02 116.146 0.9758 
1 1 1 6  3  34 o 17 2.33886e+02 2.69705e+00 7.18751e+01 6.849   3.37379e+00  4.05225e-01  0.00000e+00 0.00000e+00 3.95471e+02 6.849   3.23596e+02 6.849   0.8356 
1 1 1 6  3  35 o 18 2.54647e+02 2.70853e+00 2.30296e+02 42.237  8.53049e+00  7.74506e+00  0.00000e+00 0.00000e+00 3.49859e+02 42.237  1.19563e+02 42.237  0.9556 
1 1 1 6  3  36 o 10 6.68560e+02 4.51095e+00 7.68772e+02 273.148 5.70209e+00  -1.03686e+02 0.00000e+00 0.00000e+00 8.12672e+02 273.148 4.39006e+01 273.148 0.9952 
1 1 1 6  3  37 o 19 6.29903e+02 4.32378e+00 7.25099e+02 173.670 -9.84858e+01 1.09247e+01  0.00000e+00 0.00000e+00 7.59873e+02 173.670 3.47744e+01 173.670 0.9949 
1 1 1 6  3  38 o 16 1.47266e+02 3.85412e+00 2.01847e+02 343.670 6.39847e+00  -1.87472e+00 0.00000e+00 0.00000e+00 1.18704e+02 343.670 8.31433e+01 163.670 0.9216 
1 1 1 6  3  39 o 3  5.83075e+01 8.70514e+00 6.72511e+01 110.415 -3.53788e-01 9.50568e-01  0.00000e+00 0.00000e+00 5.29154e+00 290.415 7.25427e+01 290.415 0.4514 
1 1 1 6  3  40 o 7  2.51421e+02 3.27893e+00 3.12325e+02 231.064 -1.47857e+01 -1.83006e+01 0.00000e+00 0.00000e+00 2.64823e+02 231.064 4.75017e+01 51.064  0.9785 
1 1 1 6  3  41 o 3  3.97600e+02 3.67549e+00 3.55679e+02 208.562 -4.23821e+01 -2.30706e+01 0.00000e+00 0.00000e+00 5.64137e+02 208.562 2.08459e+02 208.562 0.9896 
1 1 1 6  3  42 o 16 3.04482e+02 3.24198e+00 2.23524e+02 175.557 -2.14699e+01 1.66820e+00  0.00000e+00 0.00000e+00 4.69072e+02 175.557 2.45548e+02 175.557 0.9765 
1 1 1 6  3  43 o 10 3.06766e+02 6.86012e+00 3.15436e+02 63.030  1.53869e+01  3.02373e+01  0.00000e+00 0.00000e+00 3.85962e+02 63.030  7.05257e+01 63.030  0.9852 
1 1 1 6  3  44 o 5  3.65633e+02 3.39179e+00 3.59743e+02 108.635 -1.84015e+01 5.45697e+01  0.00000e+00 0.00000e+00 4.78301e+02 108.635 1.18558e+02 108.635 0.9913 
1 1 1 6  3  45 f 0  2.27380e+02 3.25510e+00 2.09051e+02 270.127 4.46887e-02  -2.02013e+01 0.00000e+00 0.00000e+00 3.01549e+02 270.127 9.24982e+01 270.127 0.9749 
1 1 1 6  3  46 o 1  4.62215e+02 3.97685e+00 4.51959e+02 108.015 -2.69743e+01 8.29451e+01  0.00000e+00 0.00000e+00 6.02409e+02 108.015 1.50450e+02 108.015 0.9943 
1 1 1 6  3  47 o 11 3.15937e+02 3.66864e+00 4.23960e+02 162.343 -6.81275e+01 2.16863e+01  0.00000e+00 0.00000e+00 2.92929e+02 162.343 1.31031e+02 342.343 0.9930 
1 1 1 6  3  48 f 0  1.75818e+02 3.23773e+00 9.88342e+01 1.407   8.43033e+00  2.07129e-01  0.00000e+00 0.00000e+00 2.76757e+02 1.407   1.77923e+02 1.407   0.9387 
1 1 1 6  3  49 o 3  1.54573e+02 3.37892e+00 1.67314e+02 57.869  9.27661e+00  1.47703e+01  0.00000e+00 0.00000e+00 1.72796e+02 57.869  5.48264e+00 57.869  0.9709 
1 1 1 6  3  50 o 11 1.54931e+02 3.32610e+00 1.45184e+02 158.981 -1.40302e+01 5.39107e+00  0.00000e+00 0.00000e+00 1.92599e+02 158.981 4.74159e+01 158.981 0.9661 
1 1 1 6  3  51 o 4  1.01801e+02 4.24330e+00 1.47017e+02 188.266 -1.08491e+01 -1.57611e+00 0.00000e+00 0.00000e+00 7.10147e+01 188.266 7.60023e+01 8.266   0.9532 
1 1 1 6  3  52 o 10 3.50469e+01 8.94495e+00 6.23503e+01 146.657 -1.20562e+00 7.93231e-01  0.00000e+00 0.00000e+00 1.67428e+01 326.657 7.90930e+01 326.657 0.5818 
1 1 1 6  3  53 o 14 1.32507e+02 3.66063e+00 1.67004e+02 45.099  1.21534e+01  1.21956e+01  0.00000e+00 0.00000e+00 1.19354e+02 45.099  4.76494e+01 225.099 0.9705 
1 1 1 6  3  54 o 17 1.10460e+02 4.81441e+00 1.74168e+02 297.048 8.29057e+00  -1.62378e+01 0.00000e+00 0.00000e+00 6.38534e+01 297.048 1.10315e+02 117.048 0.9722 
1 1 1 6  3  55 o 13 1.87143e+02 3.43573e+00 2.25832e+02 342.905 3.80399e+01  -1.16990e+01 0.00000e+00 0.00000e+00 1.81803e+02 342.905 4.40286e+01 162.905 0.9874 
1 1 1 6  3  56 o 9  8.82932e+01 5.28033e+00 1.02446e+02 179.856 -1.05406e+01 2.64455e-02  0.00000e+00 0.00000e+00 8.19680e+01 179.856 2.04782e+01 359.856 0.9513 
1 1 1 6  3  58 o 5  1.36652e+02 3.78868e+00 1.39129e+02 211.586 -2.19282e+01 -1.34831e+01 0.00000e+00 0.00000e+00 1.52131e+02 211.586 1.30019e+01 211.586 0.9804 
1 1 1 6  3  59 o 1  2.40222e+01 7.63389e+00 3.00989e+01 261.489 -1.36634e-01 -9.13076e-01 0.00000e+00 0.00000e+00 8.35074e+00 81.489  3.84496e+01 81.489  0.4185 
1 1 1 6  3  60 o 14 6.59544e+01 5.88398e+00 7.60856e+01 138.351 -5.05089e+00 4.49213e+00  0.00000e+00 0.00000e+00 5.48856e+01 138.351 2.12000e+01 318.351 0.9227 
1 1 1 6  3  61 o 15 1.08163e+02 5.21653e+00 1.20433e+02 144.804 -1.64014e+01 1.15681e+01  0.00000e+00 0.00000e+00 1.05281e+02 144.804 1.51517e+01 324.804 0.9748 
1 1 1 6  3  62 o 6  3.33258e+01 9.14850e+00 3.90159e+01 48.038  1.36028e+00  1.51278e+00  0.00000e+00 0.00000e+00 1.08990e+01 48.038  2.81169e+01 228.038 0.7033 
1 1 1 6  3  63 o 13 4.35364e+01 9.73938e+00 5.42609e+01 12.084  3.49087e+00  7.47333e-01  0.00000e+00 0.00000e+00 2.36290e+01 12.084  3.06319e+01 192.084 0.8447 
1 1 1 6  3  64 o 10 4.25627e+01 9.86537e+00 3.19799e+01 233.350 -1.42559e+00 -1.91608e+00 0.00000e+00 0.00000e+00 3.54672e+01 233.350 3.48724e+00 233.350 0.7523 
1 1 1 6  3  65 o 3  3.82516e+01 9.91685e+00 3.98885e+01 215.991 -2.40593e+00 -1.74741e+00 0.00000e+00 0.00000e+00 2.48569e+01 215.991 1.50316e+01 35.991  0.8080 
1 1 1 6  3  66 o 19 6.79682e+01 8.09325e+00 6.44674e+01 320.552 7.64759e+00  -6.29260e+00 0.00000e+00 0.00000e+00 6.97600e+01 320.552 5.29261e+00 320.552 0.9481 
1 1 1 6  3  67 o 16 1.13887e+02 5.45772e+00 8.86149e+01 7.460   2.49140e+01  3.26208e+00  0.00000e+00 0.00000e+00 1.42511e+02 7.460   5.38962e+01 7.460   0.9799 
1 1 1 6  4  0  o 5  1.95394e+02 7.69886e+00 2.21253e+02 180.000 -2.23203e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.59183e+02 180.000 3.79303e+01 180.000 0.9772 
1 1 1 6  4  1  o 9  5.18090e+02 4.65705e+00 5.88813e+02 187.141 -3.12234e+01 -3.91177e+00 0.00000e+00 0.00000e+00 6.93810e+02 187.141 1.04997e+02 187.141 0.9840 
1 1 1 6  4  2  o 4  3.05221e+02 3.81098e+00 3.66270e+02 23.417  1.05267e+01  4.55912e+00  0.00000e+00 0.00000e+00 3.67290e+02 23.417  1.02003e+00 23.417  0.9554 
1 1 1 6  4  3  o 13 2.47193e+02 2.79520e+00 2.63055e+02 120.469 -3.35230e+00 5.69805e+00  0.00000e+00 0.00000e+00 3.09495e+02 120.469 4.64399e+01 120.469 0.9209 
1 1 1 6  4  4  o 14 7.45991e+02 5.72612e+00 7.58380e+02 70.222  1.91348e+01  5.32135e+01  0.00000e+00 0.00000e+00 1.10065e+03 70.222  3.42267e+02 70.222  0.9911 
1 1 1 6  4  5  o 9  2.84274e+02 2.57110e+00 4.37292e+02 166.742 -1.19264e+01 2.81001e+00  0.00000e+00 0.00000e+00 2.47390e+02 166.742 1.89902e+02 346.742 0.9583 
1 1 1 6  4  6  o 15 6.35809e+02 4.25774e+00 8.27306e+02 64.772  2.16233e+01  4.58935e+01  0.00000e+00 0.00000e+00 7.54146e+02 64.772  7.31595e+01 244.772 0.9901 
1 1 1 6  4  7  o 9  4.64760e+02 3.32036e+00 5.35144e+02 196.313 -2.25181e+01 -6.59026e+00 0.00000e+00 0.00000e+00 6.06621e+02 196.313 7.14777e+01 196.313 0.9785 
1 1 1 6  4  8  o 5  1.92642e+02 2.46156e+00 1.21153e+02 252.206 -8.76462e-01 -2.73077e+00 0.00000e+00 0.00000e+00 2.65411e+02 252.206 1.44258e+02 252.206 0.7997 
1 1 1 6  4  9  o 18 9.83681e+01 3.33630e+00 1.37873e+02 97.336  -2.06927e-01 1.60722e+00  0.00000e+00 0.00000e+00 1.61629e+01 97.336  1.21710e+02 277.336 0.6245 
1 1 1 6  4  10 o 15 6.55633e+02 4.58739e+00 1.01508e+03 167.410 -7.53039e+01 1.68192e+01  0.00000e+00 0.00000e+00 6.16776e+02 167.410 3.98303e+02 347.410 0.9935 
1 1 1 6  4  11 o 14 6.00062e+02 4.26513e+00 6.87823e+02 290.517 1.62875e+01  -4.35238e+01 0.00000e+00 0.00000e+00 7.97878e+02 290.517 1.10055e+02 290.517 0.9892 
1 1 1 6  4  12 o 3  1.85682e+02 2.58992e+00 2.04217e+02 152.906 -5.00129e+00 2.55861e+00  0.00000e+00 0.00000e+00 2.16430e+02 152.906 1.22131e+01 152.906 0.9060 
1 1 1 6  4  13 o 8  4.42425e+02 3.26394e+00 7.00046e+02 272.834 2.20199e+00  -4.44881e+01 0.00000e+00 0.00000e+00 3.92576e+02 272.834 3.07470e+02 92.834  0.9887 
1 1 1 6  4  14 o 4  5.04182e+02 3.69272e+00 8.53195e+02 45.652  4.69572e+01  4.80375e+01  0.00000e+00 0.00000e+00 3.95295e+02 45.652  4.57900e+02 225.652 0.9925 
1 1 1 6  4  15 o 5  3.78510e+02 2.95012e+00 3.46692e+02 147.386 -1.67660e+01 1.07282e+01  0.00000e+00 0.00000e+00 5.72468e+02 147.386 2.25776e+02 147.386 0.9745 
1 1 1 6  4  16 o 11 3.10622e+02 2.87170e+00 2.75478e+02 341.562 1.19548e+01  -3.98570e+00 0.00000e+00 0.00000e+00 4.66158e+02 341.562 1.90680e+02 341.562 0.9595 
1 1 1 6  4  17 o 10 6.60518e+01 4.91277e+00 1.28013e+02 86.321  8.90274e-02  1.38440e+00  0.00000e+00 0.00000e+00 3.49488e+01 266.320 1.62962e+02 266.320 0.5670 
1 1 1 6  4  18 o 13 1.89022e+02 2.61196e+00 1.50549e+02 245.865 -1.86246e+00 -4.15676e+00 0.00000e+00 0.00000e+00 2.63071e+02 245.865 1.12522e+02 245.865 0.8819 
1 1 1 6  4  19 o 15 1.68843e+02 2.73368e+00 2.28736e+02 307.292 4.59822e+00  -6.03780e+00 0.00000e+00 0.00000e+00 1.60906e+02 307.292 6.78302e+01 127.292 0.9316 
1 1 1 6  4  20 o 9  4.32027e+02 3.55825e+00 7.44844e+02 252.331 -1.64556e+01 -5.16579e+01 0.00000e+00 0.00000e+00 3.13680e+02 252.331 4.31165e+02 72.331  0.9907 
1 1 1 6  4  21 o 15 4.83339e+02 3.62454e+00 4.66770e+02 91.290  -8.32995e-01 3.69975e+01  0.00000e+00 0.00000e+00 7.10206e+02 91.290  2.43436e+02 91.290  0.9864 
1 1 1 6  4  22 o 3  5.31164e+02 3.80938e+00 7.36135e+02 280.001 1.05899e+01  -6.00535e+01 0.00000e+00 0.00000e+00 5.61932e+02 280.001 1.74204e+02 100.001 0.9918 
1 1 1 6  4  23 o 16 2.80007e+02 2.81035e+00 3.50533e+02 160.783 -1.40716e+01 4.90501e+00  0.00000e+00 0.00000e+00 3.14575e+02 160.783 3.59579e+01 340.783 0.9658 
1 1 1 6  4  24 o 6  1.48850e+02 2.83629e+00 1.30476e+02 22.525  3.16412e+00  1.31226e+00  0.00000e+00 0.00000e+00 1.75346e+02 22.525  4.48693e+01 22.525  0.8371 
1 1 1 6  4  25 o 16 3.18288e+02 3.83171e+00 3.83514e+02 228.364 -1.36448e+01 -1.53494e+01 0.00000e+00 0.00000e+00 3.76805e+02 228.364 6.70894e+00 48.365  0.9753 
1 1 1 6  4  26 o 5  1.42233e+02 3.86144e+00 1.60147e+02 79.715  5.68690e-01  3.13408e+00  0.00000e+00 0.00000e+00 1.25846e+02 79.715  3.43010e+01 259.715 0.8228 
1 1 1 6  4  27 o 6  1.01754e+02 3.64401e+00 1.10433e+02 187.788 -1.50602e+00 -2.05978e-01 0.00000e+00 0.00000e+00 3.86843e+01 187.788 7.17489e+01 7.788   0.6010 
1 1 1 6  4  28 o 10 5.12015e+02 3.77214e+00 6.32536e+02 293.704 2.08560e+01  -4.75017e+01 0.00000e+00 0.00000e+00 6.00839e+02 293.704 3.16977e+01 113.704 0.9903 
1 1 1 6  4  29 o 12 2.15695e+02 2.98008e+00 2.95517e+02 182.553 -8.38284e+00 -3.73799e-01 0.00000e+00 0.00000e+00 1.95603e+02 182.553 9.99144e+01 2.553   0.9384 
1 1 1 6  4  30 o 14 3.59367e+02 3.57243e+00 4.32266e+02 111.795 -9.70625e+00 2.42732e+01  0.00000e+00 0.00000e+00 4.20703e+02 111.795 1.15635e+01 291.795 0.9807 
1 1 1 6  4  31 f 0  5.19338e+02 3.70910e+00 5.67292e+02 40.125  3.51218e+01  2.96013e+01  0.00000e+00 0.00000e+00 6.72627e+02 40.125  1.05335e+02 40.125  0.9891 
1 1 1 6  4  32 f 0  4.32478e+02 3.29306e+00 3.89307e+02 162.455 -2.99588e+01 9.47155e+00  0.00000e+00 0.00000e+00 6.35123e+02 162.455 2.45816e+02 162.455 0.9840 
1 1 1 6  4  33 o 17 5.22188e+02 4.40037e+00 7.27019e+02 294.565 3.22436e+01  -7.05411e+01 0.00000e+00 0.00000e+00 5.18452e+02 294.565 2.08567e+02 114.565 0.9935 
1 1 1 6  4  34 o 7  3.69142e+02 3.05407e+00 3.31776e+02 325.794 2.01988e+01  -1.37301e+01 0.00000e+00 0.00000e+00 5.33557e+02 325.794 2.01780e+02 325.794 0.9793 
1 1 1 6  4  35 o 12 2.09791e+02 2.88380e+00 2.12124e+02 218.175 -7.19922e+00 -5.66015e+00 0.00000e+00 0.00000e+00 2.60377e+02 218.175 4.82529e+01 218.175 0.9437 
1 1 1 6  4  37 o 18 6.17001e+02 4.25934e+00 7.02954e+02 120.970 -5.08832e+01 8.47850e+01  0.00000e+00 0.00000e+00 7.53035e+02 120.970 5.00804e+01 120.970 0.9949 
1 1 1 6  4  38 o 18 4.97933e+02 3.65092e+00 4.49836e+02 314.765 3.97781e+01  -4.01059e+01 0.00000e+00 0.00000e+00 7.16883e+02 314.765 2.67047e+02 314.765 0.9911 
1 1 1 6  4  40 o 8  2.57681e+02 2.89866e+00 3.15965e+02 217.338 -1.90786e+01 -1.45541e+01 0.00000e+00 0.00000e+00 2.76400e+02 217.338 3.95641e+01 37.338  0.9789 
1 1 1 6  4  41 o 14 5.27392e+01 8.11540e+00 1.75216e+02 358.379 2.91658e+00  -8.25421e-02 0.00000e+00 0.00000e+00 7.60254e+01 178.379 2.51242e+02 178.379 0.8037 
1 1 1 6  4  43 o 15 2.44343e+02 3.76082e+00 3.20267e+02 86.330  1.92368e+00  2.99911e+01  0.00000e+00 0.00000e+00 2.37866e+02 86.330  8.24009e+01 266.330 0.9832 
1 1 1 6  4  44 o 12 2.59799e+02 3.39662e+00 2.25271e+02 287.649 7.66365e+00  -2.40868e+01 0.00000e+00 0.00000e+00 3.64016e+02 287.649 1.38746e+02 287.649 0.9800 
1 1 1 6  4  45 o 1  1.74012e+02 3.78162e+00 1.73735e+02 4.229   1.28459e+01  9.49805e-01  0.00000e+00 0.00000e+00 2.11568e+02 4.229   3.78332e+01 4.229   0.9604 
1 1 1 6  4  46 o 19 3.09137e+02 3.45080e+00 1.89373e+02 71.627  8.63840e+00  2.60086e+01  0.00000e+00 0.00000e+00 5.07513e+02 71.627  3.18140e+02 71.627  0.9816 
1 1 1 6  4  47 o 6  2.02480e+02 4.19876e+00 2.07252e+02 296.078 9.69843e+00  -1.98162e+01 0.00000e+00 0.00000e+00 2.45280e+02 296.078 3.80274e+01 296.078 0.9771 
1 1 1 6  4  48 o 19 1.42580e+02 4.29839e+00 1.68197e+02 123.141 -8.51724e+00 1.30452e+01  0.00000e+00 0.00000e+00 1.46003e+02 123.141 2.21933e+01 303.141 0.9674 
1 1 1 6  4  49 o 6  1.70728e+02 3.87670e+00 1.44499e+02 179.151 -1.63949e+01 2.43032e-01  0.00000e+00 0.00000e+00 2.30800e+02 179.151 8.63009e+01 179.151 0.9690 
1 1 1 6  4  50 o 13 8.31975e+01 5.22942e+00 1.28404e+02 161.618 -6.79301e+00 2.25732e+00  0.00000e+00 0.00000e+00 4.58575e+01 161.618 8.25467e+01 341.618 0.9273 
1 1 1 6  4  51 o 12 1.99391e+02 3.29012e+00 1.62858e+02 203.380 -2.17182e+01 -9.38923e+00 0.00000e+00 0.00000e+00 2.76001e+02 203.380 1.13143e+02 203.380 0.9786 
1 1 1 6  4  52 o 5  9.92174e+01 4.34425e+00 1.37880e+02 295.728 5.21367e+00  -1.08198e+01 0.00000e+00 0.00000e+00 7.48163e+01 295.728 6.30632e+01 115.728 0.9574 
1 1 1 6  4  53 o 8  7.21552e+01 5.31567e+00 1.18083e+02 9.065   6.39629e+00  1.02053e+00  0.00000e+00 0.00000e+00 2.97504e+01 9.065   8.83330e+01 189.065 0.9192 
1 1 1 6  4  54 o 7  7.60343e+01 4.99328e+00 1.00285e+02 259.286 -1.39343e+00 -7.36459e+00 0.00000e+00 0.00000e+00 5.67181e+01 259.286 4.35664e+01 79.286  0.9307 
1 1 1 6  4  55 o 3  1.68767e+02 3.04855e+00 1.65161e+02 344.739 3.02321e+01  -8.24850e+00 0.00000e+00 0.00000e+00 2.01530e+02 344.739 3.63690e+01 344.739 0.9839 
1 1 1 6  4  56 o 14 1.07261e+02 6.36328e+00 1.67522e+02 41.687  1.52509e+01  1.35817e+01  0.00000e+00 0.00000e+00 6.23638e+01 41.687  1.05158e+02 221.687 0.9752 
1 1 1 6  4  57 o 14 8.47363e+01 4.52449e+00 1.07707e+02 294.998 5.10758e+00  -1.09541e+01 0.00000e+00 0.00000e+00 6.97752e+01 294.998 3.79318e+01 114.998 0.9577 
1 1 1 6  4  58 o 2  3.33358e+01 7.44091e+00 2.02917e+01 120.578 -4.19611e-01 7.10143e-01  0.00000e+00 0.00000e+00 7.34196e+00 120.578 1.29497e+01 300.578 0.3809 
1 1 1 6  4  59 o 12 1.70382e+02 3.41708e+00 1.84540e+02 108.506 -1.35019e+01 4.03399e+01  0.00000e+00 0.00000e+00 1.80022e+02 108.506 4.51817e+00 288.506 0.9882 
1 1 1 6  4  60 o 15 9.30942e+01 4.27135e+00 9.82620e+01 197.578 -1.37070e+01 -4.34236e+00 0.00000e+00 0.00000e+00 9.51759e+01 197.578 3.08609e+00 17.578  0.9646 
1 1 1 6  4  61 o 4  9.40278e+01 4.15884e+00 6.85967e+01 162.169 -9.39828e+00 3.02297e+00  0.00000e+00 0.00000e+00 1.22407e+02 162.169 5.38103e+01 162.169 0.9479 
1 1 1 6  4  62 o 17 2.92549e+01 9.26697e+00 1.43258e+01 196.847 -6.19070e-01 -1.87457e-01 0.00000e+00 0.00000e+00 4.85638e+00 196.847 9.46941e+00 16.847  0.3076 
1 1 1 6  4  63 o 16 1.01426e+02 6.64090e+00 6.61899e+01 0.952   1.21374e+01  2.01642e-01  0.00000e+00 0.00000e+00 1.39794e+02 0.952   7.36037e+01 0.952   0.9579 
1 1 1 6  4  64 o 6  1.09113e+02 6.61653e+00 1.05482e+02 146.139 -1.84786e+01 1.23988e+01  0.00000e+00 0.00000e+00 1.19362e+02 146.139 1.38802e+01 146.139 0.9773 
1 1 1 6  4  65 o 5  1.09537e+02 5.93018e+00 1.09731e+02 299.775 1.32627e+01  -2.31812e+01 0.00000e+00 0.00000e+00 1.15614e+02 299.775 5.88318e+00 299.775 0.9811 
1 1 1 6  4  66 o 13 9.18323e+01 6.76993e+00 1.05776e+02 23.911  2.09089e+01  9.27019e+00  0.00000e+00 0.00000e+00 8.14666e+01 23.911  2.43094e+01 203.911 0.9779 
1 1 1 6  4  67 o 19 1.06471e+02 7.65465e+00 1.02279e+02 244.416 -1.08319e+01 -2.26237e+01 0.00000e+00 0.00000e+00 1.14004e+02 244.416 1.17253e+01 244.416 0.9799 
1 1 1 6  5  0  o 6  1.07809e+03 9.43358e+00 1.38558e+03 0.000   6.92294e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.33047e+03 0.000   5.51113e+01 180.000 1.0000 
1 1 1 6  5  1  o 14 2.26702e+02 2.36974e+00 3.04651e+02 341.883 6.10186e+00  -1.99643e+00 0.00000e+00 0.00000e+00 2.19872e+02 341.883 8.47796e+01 161.883 0.9184 
1 1 1 6  5  2  o 11 2.78316e+02 2.67362e+00 2.53742e+02 1.671   8.71590e+00  2.54313e-01  0.00000e+00 0.00000e+00 4.05788e+02 1.671   1.52046e+02 1.671   0.9408 
1 1 1 6  5  3  o 3  1.38916e+02 3.11030e+00 2.06197e+02 83.297  4.09258e-01  3.48248e+00  0.00000e+00 0.00000e+00 8.81690e+01 83.297  1.18028e+02 263.297 0.8414 
1 1 1 6  5  4  o 11 3.86523e+02 3.10048e+00 5.32707e+02 200.165 -2.33962e+01 -8.59199e+00 0.00000e+00 0.00000e+00 4.20669e+02 200.165 1.12038e+02 20.165  0.9797 
1 1 1 6  5  5  o 17 1.32929e+02 2.98007e+00 5.18551e+01 254.100 -2.25411e-01 -7.91322e-01 0.00000e+00 0.00000e+00 7.53004e+01 254.100 2.34453e+01 254.100 0.3801 
1 1 1 6  5  6  o 8  2.83015e+02 2.79937e+00 4.19700e+02 276.335 1.53889e+00  -1.38615e+01 0.00000e+00 0.00000e+00 2.66181e+02 276.335 1.53520e+02 96.335  0.9635 
1 1 1 6  5  7  o 2  3.51117e+02 2.97184e+00 6.48845e+02 288.661 8.39740e+00  -2.48645e+01 0.00000e+00 0.00000e+00 2.16877e+02 288.661 4.31968e+02 108.661 0.9808 
1 1 1 6  5  8  o 6  3.25127e+02 2.86107e+00 4.25660e+02 182.045 -1.56046e+01 -5.57292e-01 0.00000e+00 0.00000e+00 3.64572e+02 182.045 6.10883e+01 2.045   0.9674 
1 1 1 6  5  9  o 5  1.07052e+02 3.15994e+00 2.14851e+02 302.256 1.83258e+00  -2.90383e+00 0.00000e+00 0.00000e+00 1.02515e+01 302.256 2.04599e+02 122.256 0.8376 
1 1 1 6  5  10 o 11 1.67838e+02 2.54817e+00 2.38506e+02 15.794  5.62634e+00  1.59149e+00  0.00000e+00 0.00000e+00 1.44583e+02 15.794  9.39235e+01 195.794 0.9099 
1 1 1 6  5  11 o 18 4.64431e+02 3.46577e+00 5.79712e+02 78.387  7.72617e+00  3.75956e+01  0.00000e+00 0.00000e+00 5.68979e+02 78.387  1.07330e+01 258.387 0.9869 
1 1 1 6  5  12 o 15 4.30219e+02 3.29627e+00 5.60299e+02 85.310  3.06738e+00  3.73875e+01  0.00000e+00 0.00000e+00 5.02390e+02 85.310  5.79092e+01 265.310 0.9866 
1 1 1 6  5  13 o 18 2.07795e+02 2.82821e+00 3.30132e+02 127.385 -6.32202e+00 8.27328e+00  0.00000e+00 0.00000e+00 1.63943e+02 127.385 1.66190e+02 307.385 0.9507 
1 1 1 6  5  14 o 1  5.33158e+02 3.85643e+00 6.08686e+02 99.192  -7.65892e+00 4.73311e+01  0.00000e+00 0.00000e+00 7.09235e+02 99.192  1.00549e+02 99.192  0.9895 
1 1 1 6  5  15 o 15 3.81278e+02 3.11893e+00 6.65541e+02 218.348 -3.30028e+01 -2.61093e+01 0.00000e+00 0.00000e+00 2.74367e+02 218.348 3.91174e+02 38.348  0.9880 
1 1 1 6  5  16 o 16 4.10593e+02 3.56560e+00 5.18867e+02 258.062 -7.12031e+00 -3.36786e+01 0.00000e+00 0.00000e+00 4.89215e+02 258.062 2.96522e+01 78.062  0.9854 
1 1 1 6  5  17 o 7  4.21353e+02 3.35481e+00 5.35986e+02 227.005 -3.06583e+01 -3.28824e+01 0.00000e+00 0.00000e+00 5.00657e+02 227.005 3.53288e+01 47.005  0.9888 
1 1 1 6  5  18 o 8  2.85705e+02 2.81230e+00 4.24326e+02 249.497 -8.23388e+00 -2.20191e+01 0.00000e+00 0.00000e+00 2.70201e+02 249.497 1.54125e+02 69.497  0.9785 
1 1 1 6  5  19 o 14 4.46116e+02 3.60246e+00 5.60925e+02 104.620 -1.05380e+01 4.03995e+01  0.00000e+00 0.00000e+00 5.32282e+02 104.620 2.86431e+01 284.619 0.9880 
1 1 1 6  5  20 o 9  2.37021e+02 2.84164e+00 3.04400e+02 314.455 8.23582e+00  -8.39390e+00 0.00000e+00 0.00000e+00 2.56978e+02 314.455 4.74217e+01 134.455 0.9565 
1 1 1 6  5  21 o 4  4.37735e+02 3.67070e+00 4.67941e+02 110.114 -1.09154e+01 2.98053e+01  0.00000e+00 0.00000e+00 5.96887e+02 110.114 1.28946e+02 110.114 0.9841 
1 1 1 6  5  22 o 13 1.81140e+02 2.99091e+00 2.02917e+02 22.856  6.12296e+00  2.58091e+00  0.00000e+00 0.00000e+00 2.08846e+02 22.856  5.92862e+00 22.856  0.9213 
1 1 1 6  5  23 o 9  4.74250e+01 6.86711e+00 6.68862e+01 22.629  5.10092e-01  2.12633e-01  0.00000e+00 0.00000e+00 3.57893e+01 202.629 1.02675e+02 202.629 0.2663 
1 1 1 6  5  24 o 12 2.49662e+02 2.95245e+00 3.06473e+02 9.375   1.26777e+01  2.09304e+00  0.00000e+00 0.00000e+00 2.82689e+02 9.375   2.37834e+01 189.375 0.9603 
1 1 1 6  5  25 o 18 1.28832e+02 3.55312e+00 2.42548e+02 28.458  3.83722e+00  2.07977e+00  0.00000e+00 0.00000e+00 3.42776e+01 28.458  2.08270e+02 208.458 0.8762 
1 1 1 6  5  26 o 11 2.13281e+02 3.42864e+00 3.31244e+02 201.851 -1.08590e+01 -4.35449e+00 0.00000e+00 0.00000e+00 1.67808e+02 201.851 1.63436e+02 21.851  0.9563 
1 1 1 6  5  27 o 12 4.52722e+02 3.52435e+00 4.71488e+02 253.258 -9.86579e+00 -3.27968e+01 0.00000e+00 0.00000e+00 6.17495e+02 253.258 1.46007e+02 253.258 0.9853 
1 1 1 6  5  28 o 6  3.74782e+02 3.62797e+00 5.16479e+02 81.264  3.87707e+00  2.52297e+01  0.00000e+00 0.00000e+00 3.78254e+02 81.264  1.38225e+02 261.264 0.9802 
1 1 1 6  5  29 o 13 2.18292e+02 3.36479e+00 2.10963e+02 180.210 -7.78012e+00 -2.85148e-02 0.00000e+00 0.00000e+00 2.84029e+02 180.210 7.30664e+01 180.210 0.9333 
1 1 1 6  5  30 o 1  1.88136e+02 2.81096e+00 3.56018e+02 140.172 -8.06741e+00 6.72820e+00  0.00000e+00 0.00000e+00 7.76309e+01 140.172 2.78387e+02 320.172 0.9511 
1 1 1 6  5  31 o 15 1.91558e+02 2.79014e+00 3.15062e+02 343.205 1.08548e+01  -3.27612e+00 0.00000e+00 0.00000e+00 1.27022e+02 343.205 1.88039e+02 163.206 0.9548 
1 1 1 6  5  32 o 10 4.33449e+02 3.32561e+00 3.87680e+02 235.900 -1.94166e+01 -2.86783e+01 0.00000e+00 0.00000e+00 6.41932e+02 235.900 2.54252e+02 235.900 0.9855 
1 1 1 6  5  33 o 10 2.33918e+02 2.77408e+00 3.02363e+02 17.930  1.35329e+01  4.37888e+00  0.00000e+00 0.00000e+00 2.39766e+02 17.930  6.25967e+01 197.930 0.9642 
1 1 1 6  5  34 o 6  4.99014e+02 3.64385e+00 4.72378e+02 308.119 3.01699e+01  -3.84503e+01 0.00000e+00 0.00000e+00 7.11342e+02 308.119 2.38964e+02 308.119 0.9897 
1 1 1 6  5  35 o 5  2.69937e+02 3.32843e+00 3.27564e+02 198.913 -1.86487e+01 -6.38969e+00 0.00000e+00 0.00000e+00 3.00909e+02 198.913 2.66545e+01 18.913  0.9743 
1 1 1 6  5  36 o 11 3.01842e+02 3.33129e+00 2.71349e+02 312.821 1.28520e+01  -1.38689e+01 0.00000e+00 0.00000e+00 4.28458e+02 312.821 1.57109e+02 312.821 0.9732 
1 1 1 6  5  37 o 15 2.89250e+02 4.11046e+00 4.06136e+02 6.621   2.97276e+01  3.45090e+00  0.00000e+00 0.00000e+00 2.69212e+02 6.621   1.36924e+02 186.621 0.9831 
1 1 1 6  5  38 o 16 2.04028e+02 5.84132e+00 1.95483e+02 304.024 5.80820e+00  -8.60314e+00 0.00000e+00 0.00000e+00 2.63598e+02 304.024 6.81150e+01 304.024 0.9505 
1 1 1 6  5  39 o 2  1.27878e+02 3.73548e+00 1.24387e+02 213.137 -3.96686e+00 -2.58960e+00 0.00000e+00 0.00000e+00 1.43199e+02 213.137 1.88116e+01 213.137 0.8869 
1 1 1 6  5  40 o 8  1.72362e+02 3.35729e+00 2.50633e+02 192.067 -1.43772e+01 -3.07353e+00 0.00000e+00 0.00000e+00 1.40606e+02 192.067 1.10027e+02 12.067  0.9654 
1 1 1 6  5  41 o 8  2.21526e+02 3.64458e+00 2.92854e+02 323.240 1.63852e+01  -1.22396e+01 0.00000e+00 0.00000e+00 2.13349e+02 323.240 7.95050e+01 143.240 0.9752 
1 1 1 6  5  42 o 4  8.30190e+01 5.14801e+00 1.25435e+02 285.585 1.08333e+00  -3.88388e+00 0.00000e+00 0.00000e+00 4.21759e+01 285.585 8.32588e+01 105.585 0.8647 
1 1 1 6  5  43 o 5  3.22437e+02 3.67819e+00 3.30718e+02 8.421   4.61413e+01  6.83044e+00  0.00000e+00 0.00000e+00 4.11244e+02 8.421   8.05259e+01 8.421   0.9892 
1 1 1 6  5  44 o 16 1.69662e+02 3.10386e+00 2.02265e+02 227.322 -9.89687e+00 -1.07334e+01 0.00000e+00 0.00000e+00 1.77206e+02 227.322 2.50597e+01 47.322  0.9651 
1 1 1 6  5  45 o 16 1.17361e+02 3.60153e+00 8.93582e+01 282.112 1.04496e+00  -4.86913e+00 0.00000e+00 0.00000e+00 1.52567e+02 282.112 6.32090e+01 282.112 0.8929 
1 1 1 6  5  46 o 12 2.25093e+02 2.80330e+00 1.66035e+02 284.406 4.99252e+00  -1.94366e+01 0.00000e+00 0.00000e+00 3.38508e+02 284.406 1.72474e+02 284.406 0.9748 
1 1 1 6  5  47 o 18 2.77965e+02 3.79323e+00 2.82582e+02 189.440 -3.76382e+01 -6.25817e+00 0.00000e+00 0.00000e+00 3.45651e+02 189.440 6.30687e+01 189.440 0.9868 
1 1 1 6  5  48 o 12 6.82028e+01 5.31663e+00 5.77497e+01 116.885 -1.19049e+00 2.34810e+00  0.00000e+00 0.00000e+00 6.33893e+01 116.885 5.63963e+00 116.885 0.7787 
1 1 1 6  5  49 o 13 2.45052e+02 3.28255e+00 2.20025e+02 165.180 -3.50017e+01 9.26072e+00  0.00000e+00 0.00000e+00 3.28855e+02 165.180 1.08830e+02 165.180 0.9861 
1 1 1 6  5  50 o 7  7.36264e+01 5.61483e+00 4.57195e+01 323.571 1.97215e+00  -1.45556e+00 0.00000e+00 0.00000e+00 8.07686e+01 323.571 3.50491e+01 323.571 0.7596 
1 1 1 6  5  51 o 18 1.12036e+02 4.06933e+00 6.77386e+01 300.958 2.72111e+00  -4.53621e+00 0.00000e+00 0.00000e+00 1.59252e+02 300.958 9.15135e+01 300.958 0.8997 
1 1 1 6  5  52 f 0  1.00948e+02 4.36358e+00 7.85581e+01 42.637  4.54626e+00  4.18598e+00  0.00000e+00 0.00000e+00 1.28540e+02 42.637  4.99816e+01 42.637  0.9151 
1 1 1 6  5  53 o 3  3.90551e+01 1.04313e+01 1.15043e+02 133.339 -2.69662e+00 2.85768e+00  0.00000e+00 0.00000e+00 4.00177e+01 313.339 1.55061e+02 313.339 0.8607 
1 1 1 6  5  54 o 14 1.53443e+02 3.72904e+00 1.07698e+02 129.231 -9.89560e+00 1.21200e+01  0.00000e+00 0.00000e+00 2.22102e+02 129.231 1.14403e+02 129.231 0.9675 
1 1 1 6  5  55 o 7  1.02698e+02 4.58156e+00 1.14002e+02 350.871 1.26576e+01  -2.03406e+00 0.00000e+00 0.00000e+00 1.04032e+02 350.871 9.96993e+00 170.871 0.9602 
1 1 1 6  5  57 o 13 5.14807e+01 1.01387e+01 4.03026e+01 90.597  -2.60899e-02 2.50316e+00  0.00000e+00 0.00000e+00 4.59797e+01 90.597  5.67703e+00 90.597  0.7654 
1 1 1 6  5  58 o 11 4.61105e+01 1.04343e+01 5.92700e+01 318.528 2.30803e+00  -2.03994e+00 0.00000e+00 0.00000e+00 2.26931e+01 318.528 3.65769e+01 138.528 0.8158 
1 1 1 6  5  59 o 7  1.76574e+02 4.63532e+00 2.31185e+02 243.751 -2.50328e+01 -5.07641e+01 0.00000e+00 0.00000e+00 1.48239e+02 243.751 8.29464e+01 63.751  0.9911 
1 1 1 6  5  60 o 4  1.28787e+02 4.65406e+00 1.66103e+02 87.298  1.58372e+00  3.35628e+01  0.00000e+00 0.00000e+00 1.07519e+02 87.298  5.85832e+01 267.298 0.9850 
1 1 1 6  5  61 o 19 5.06456e+01 8.99106e+00 3.63832e+01 48.881  1.92137e+00  2.20102e+00  0.00000e+00 0.00000e+00 5.09908e+01 48.881  1.46076e+01 48.881  0.8040 
1 1 1 6  5  62 o 6  2.33923e+02 4.01721e+00 2.25638e+02 79.674  1.65378e+01  9.07720e+01  0.00000e+00 0.00000e+00 2.70925e+02 79.674  4.52870e+01 79.674  0.9946 
1 1 1 6  5  63 o 4  2.00876e+02 4.10689e+00 1.64780e+02 100.957 -1.18881e+01 6.14031e+01  0.00000e+00 0.00000e+00 2.58234e+02 100.957 9.34539e+01 100.957 0.9920 
1 1 1 6  5  64 o 8  5.22960e+01 8.95603e+00 5.95232e+01 281.156 1.13622e+00  -5.76171e+00 0.00000e+00 0.00000e+00 4.09884e+01 281.156 1.85348e+01 101.156 0.9103 
1 1 1 6  5  65 o 2  4.02531e+01 9.81102e+00 4.01110e+01 306.266 1.85003e+00  -2.52165e+00 0.00000e+00 0.00000e+00 2.91050e+01 306.266 1.10059e+01 126.266 0.8190 
1 1 1 6  5  66 o 18 1.13235e+02 5.42623e+00 1.30817e+02 265.762 -2.80164e+00 -3.78052e+01 0.00000e+00 0.00000e+00 1.02447e+02 265.762 2.83700e+01 85.762  0.9867 
1 1 1 6  5  67 o 15 6.92852e+01 1.07694e+01 8.49014e+01 246.833 -5.20193e+00 -1.21565e+01 0.00000e+00 0.00000e+00 5.33702e+01 246.833 3.15312e+01 66.833  0.9614 
1 1 1 6  6  0  f 0  1.06727e+02 6.69061e+00 1.71853e+01 0.000   6.94861e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.49721e+00 0.000   1.56881e+01 180.000 0.0694 
1 1 1 6  6  1  o 16 1.08023e+02 4.18939e+00 1.53935e+02 270.000 1.10061e-07  -1.25895e+00 0.00000e+00 0.00000e+00 7.79500e+01 270.000 7.59853e+01 90.000  0.8508 
1 1 1 6  6  2  o 19 9.41233e+01 4.75336e+00 4.89888e+01 0.000   3.47631e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.03864e+01 0.000   1.86023e+01 180.000 0.3343 
1 1 1 6  6  3  o 13 2.41643e+02 3.48495e+00 3.20422e+02 270.000 0.00000e+00  -5.80744e+00 0.00000e+00 0.00000e+00 2.89057e+02 270.000 3.13645e+01 90.000  1.0000 
1 1 1 6  6  4  o 16 4.18658e+01 1.08254e+01 1.28434e+02 180.000 -3.96012e-01 0.00000e+00  0.00000e+00 0.00000e+00 8.86851e+01 0.000   2.17119e+02 0.000   0.3765 
1 1 1 6  6  5  o 18 4.94704e+02 4.85235e+00 3.33785e+02 90.000  -1.06124e-06 1.21392e+01  0.00000e+00 0.00000e+00 9.13135e+02 90.000  5.79350e+02 90.000  1.0000 
1 1 1 6  6  6  o 3  9.75867e+01 5.23063e+00 5.86690e+01 0.000   4.15523e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.79892e+01 0.000   2.06798e+01 180.000 0.3932 
1 1 1 6  6  7  o 7  7.22526e+02 6.58432e+00 8.01388e+02 90.000  2.53321e-15  4.13705e+01  0.00000e+00 0.00000e+00 1.01788e+03 90.000  2.16495e+02 90.000  1.0000 
1 1 1 6  6  8  o 18 9.82067e+01 4.71540e+00 1.90407e+02 180.000 -1.47351e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.20595e+01 180.000 1.58347e+02 0.000   0.9002 
1 1 1 6  6  9  o 13 9.87587e+01 7.42496e+00 1.06341e+02 90.000  -7.08362e-08 8.10272e-01  0.00000e+00 0.00000e+00 5.99721e+01 90.000  4.63686e+01 270.000 0.6697 
1 1 1 6  6  10 o 14 1.46469e+02 4.26419e+00 3.96309e+02 0.000   4.40979e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.84288e+01 180.000 4.24738e+02 180.000 0.9997 
1 1 1 6  6  11 o 11 1.53462e+02 4.19951e+00 1.19551e+01 270.000 1.19446e-08  -1.36630e-01 0.00000e+00 0.00000e+00 4.03509e+01 270.000 2.83957e+01 270.000 0.1358 
1 1 1 6  6  12 o 19 9.80131e+01 7.22085e+00 3.46127e+01 0.000   2.83716e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.33066e+01 0.000   1.30609e+00 180.000 0.2763 
1 1 1 6  6  13 o 15 3.25348e+02 4.15453e+00 4.77951e+02 90.000  -1.11725e-06 1.27798e+01  0.00000e+00 0.00000e+00 3.37021e+02 90.000  1.40930e+02 270.000 1.0000 
1 1 1 6  6  14 o 7  1.92250e+02 3.94539e+00 3.90838e+02 0.000   6.04584e+00  0.00000e+00  0.00000e+00 0.00000e+00 9.01686e+01 0.000   3.00669e+02 180.000 1.0000 
1 1 1 6  6  15 o 16 3.09392e+01 1.37443e+01 2.88534e+02 270.000 -5.31953e-17 -8.68746e-01 0.00000e+00 0.00000e+00 2.34357e+02 90.000  5.22891e+02 90.000  0.7007 
1 1 1 6  6  16 o 11 1.25664e+02 4.36874e+00 2.70565e+02 180.000 -3.29958e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.21833e+01 180.000 2.28381e+02 0.000   0.9973 
1 1 1 6  6  17 o 6  2.04405e+02 3.56532e+00 3.72413e+02 270.000 0.00000e+00  -6.38688e+00 0.00000e+00 0.00000e+00 1.36960e+02 270.000 2.35453e+02 90.000  1.0000 
1 1 1 6  6  18 o 13 1.03267e+02 4.96782e+00 1.19918e+02 0.000   1.01518e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.73961e+01 0.000   4.25217e+01 180.000 0.7679 
1 1 1 6  6  19 o 12 2.26431e+01 1.27372e+01 5.62797e+01 270.000 0.00000e+00  -9.83781e-02 0.00000e+00 0.00000e+00 5.07635e+01 90.000  1.07043e+02 90.000  0.0981 
1 1 1 6  6  20 o 3  2.26311e+02 3.42842e+00 2.59437e+02 0.000   5.37637e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.01811e+02 0.000   4.23736e+01 0.000   1.0000 
1 1 1 6  6  21 o 6  4.18617e+02 4.47051e+00 7.21130e+02 90.000  -2.35091e-06 2.68912e+01  0.00000e+00 0.00000e+00 3.15243e+02 90.000  4.05887e+02 270.000 1.0000 
1 1 1 6  6  22 o 3  5.86371e+02 5.93177e+00 8.94581e+02 0.000   4.47523e+01  0.00000e+00  0.00000e+00 0.00000e+00 5.54413e+02 0.000   3.40167e+02 180.000 1.0000 
1 1 1 6  6  23 o 15 2.12463e+02 3.85887e+00 4.11062e+02 270.000 6.33552e-07  -7.24699e+00 0.00000e+00 0.00000e+00 1.12941e+02 270.000 2.98121e+02 90.000  1.0000 
1 1 1 6  6  24 o 6  2.69554e+01 1.47811e+01 1.19839e+02 0.000   2.19684e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.05494e+02 180.000 2.25333e+02 180.000 0.2162 
1 1 1 6  6  25 o 14 2.73972e+02 5.58013e+00 1.45711e+02 270.000 0.00000e+00  -3.27573e+00 0.00000e+00 0.00000e+00 5.25282e+02 270.000 3.79571e+02 270.000 0.9971 
1 1 1 6  6  26 o 18 3.30289e+02 5.06051e+00 3.41989e+02 180.000 -7.64876e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.67462e+02 180.000 1.25473e+02 180.000 1.0000 
1 1 1 6  6  27 o 18 9.67148e+02 1.09111e+01 1.12124e+03 90.000  0.00000e+00  7.05547e+01  0.00000e+00 0.00000e+00 1.24358e+03 90.000  1.22335e+02 90.000  1.0000 
1 1 1 6  6  28 o 4  6.62264e+02 7.16423e+00 7.91334e+02 180.000 -4.39200e+01 0.00000e+00  0.00000e+00 0.00000e+00 8.24157e+02 180.000 3.28230e+01 180.000 1.0000 
1 1 1 6  6  29 o 8  2.67778e+02 4.48400e+00 3.12930e+02 270.000 -4.00788e-16 -6.54536e+00 0.00000e+00 0.00000e+00 3.38668e+02 270.000 2.57378e+01 270.000 1.0000 
1 1 1 6  6  30 o 18 1.20002e+02 7.82111e+00 1.57969e+02 180.000 -1.76779e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.16801e+02 180.000 4.11686e+01 0.000   0.9434 
1 1 1 6  6  31 o 7  2.94228e+02 4.23639e+00 2.06302e+02 270.000 5.47013e-07  -6.25710e+00 0.00000e+00 0.00000e+00 5.05959e+02 270.000 2.99657e+02 270.000 1.0000 
1 1 1 6  6  32 o 16 3.71911e+02 4.59273e+00 1.69937e+02 180.000 -6.35428e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.27935e+02 180.000 5.57998e+02 180.000 1.0000 
1 1 1 6  6  33 o 19 4.17934e+01 1.57383e+01 2.55479e+02 270.000 9.43406e-08  -1.07913e+00 0.00000e+00 0.00000e+00 1.75703e+02 90.000  4.31182e+02 90.000  0.7929 
1 1 1 6  6  34 o 7  2.20078e+02 5.81925e+00 3.42582e+02 0.000   8.41611e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.85718e+02 0.000   1.56864e+02 180.000 1.0000 
1 1 1 6  6  35 o 4  2.50026e+02 4.57498e+00 1.95121e+02 270.000 4.94312e-07  -5.65427e+00 0.00000e+00 0.00000e+00 4.03272e+02 270.000 2.08150e+02 270.000 1.0000 
1 1 1 6  6  36 o 17 2.24523e+02 4.66504e+00 1.72255e+02 0.000   4.95952e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.63417e+02 0.000   1.91162e+02 0.000   0.9999 
1 1 1 6  6  37 o 3  6.98260e+02 8.44055e+00 7.27862e+02 90.000  -5.81249e-06 6.64872e+01  0.00000e+00 0.00000e+00 9.32993e+02 90.000  2.05132e+02 90.000  1.0000 
1 1 1 6  6  38 o 14 3.18984e+02 4.44588e+00 2.61410e+02 0.000   1.25176e+01  0.00000e+00  0.00000e+00 0.00000e+00 4.94862e+02 0.000   2.33452e+02 0.000   1.0000 
1 1 1 6  6  39 o 2  1.76593e+01 1.19210e+01 2.32850e+01 90.000  -6.01656e-09 6.88215e-02  0.00000e+00 0.00000e+00 2.04176e+01 270.000 4.37026e+01 270.000 0.0687 
1 1 1 6  6  40 f 0  1.19756e+02 6.12124e+00 1.57501e+02 180.000 -2.99145e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.23103e+02 180.000 3.43974e+01 0.000   0.9950 
1 1 1 6  6  41 f 0  2.94266e+02 4.45149e+00 3.87866e+02 270.000 0.00000e+00  -2.24602e+01 0.00000e+00 0.00000e+00 3.02706e+02 270.000 8.51598e+01 90.000  1.0000 
1 1 1 6  6  42 o 9  2.59029e+02 4.56181e+00 2.14774e+02 0.000   1.22986e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.90932e+02 0.000   1.76158e+02 0.000   1.0000 
1 1 1 6  6  43 o 16 3.33905e+02 4.75260e+00 3.14230e+02 270.000 0.00000e+00  -2.25265e+01 0.00000e+00 0.00000e+00 4.63707e+02 270.000 1.49477e+02 270.000 1.0000 
1 1 1 6  6  44 o 18 3.84444e+01 1.57521e+01 8.11267e+01 0.000   6.25790e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.15894e+01 180.000 1.12716e+02 180.000 0.5551 
1 1 1 6  6  45 o 16 1.45201e+02 5.81157e+00 1.27822e+02 90.000  -4.37928e-07 5.00931e+00  0.00000e+00 0.00000e+00 2.07881e+02 90.000  8.00591e+01 90.000  0.9999 
1 1 1 6  6  46 o 3  5.54728e+01 1.25778e+01 1.94318e+02 180.000 -2.55530e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.80888e+01 0.000   2.62407e+02 0.000   0.9880 
1 1 1 6  6  47 o 5  1.23952e+02 5.48353e+00 1.80916e+02 270.000 6.36255e-07  -7.27791e+00 0.00000e+00 0.00000e+00 1.03419e+02 270.000 7.74965e+01 90.000  1.0000 
1 1 1 6  6  48 o 7  1.50684e+01 1.04838e+01 1.43113e+01 180.000 -7.08640e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.18760e+01 0.000   2.61873e+01 0.000   0.0707 
1 1 1 6  6  49 o 8  5.74867e+01 1.00473e+01 8.87918e+01 270.000 0.00000e+00  -1.67771e+00 0.00000e+00 0.00000e+00 3.31705e+01 270.000 5.56213e+01 90.000  0.9326 
1 1 1 6  6  50 o 14 6.06034e+01 9.11296e+00 1.17356e+02 0.000   2.46231e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.79483e+01 0.000   9.94078e+01 180.000 0.9856 
1 1 1 6  6  51 f 0  9.47209e+01 5.51378e+00 1.10783e+02 90.000  0.00000e+00  4.62358e+00  0.00000e+00 0.00000e+00 1.02814e+02 90.000  7.96924e+00 270.000 0.9998 
1 1 1 6  6  52 o 4  1.26920e+02 6.54552e+00 2.00301e+02 0.000   1.23160e+01  0.00000e+00  0.00000e+00 0.00000e+00 8.46923e+01 0.000   1.15608e+02 180.000 1.0000 
1 1 1 6  6  53 o 3  1.60135e+02 3.56012e+00 1.84685e+02 90.000  9.09724e-16  1.48569e+01  0.00000e+00 0.00000e+00 1.73265e+02 90.000  1.14200e+01 270.000 1.0000 
1 1 1 6  6  54 o 6  1.70761e+01 1.11298e+01 7.47711e+01 0.000   6.74786e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.24259e+01 180.000 1.27197e+02 180.000 0.5881 
1 1 1 6  6  56 o 10 6.12475e+01 1.11064e+01 1.13940e+02 180.000 -4.37194e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.10063e+01 180.000 9.29335e+01 0.000   0.9997 
1 1 1 6  6  57 o 13 1.57434e+02 5.42042e+00 1.69037e+02 270.000 1.50528e-06  -1.72184e+01 0.00000e+00 0.00000e+00 1.76260e+02 270.000 7.22363e+00 270.000 1.0000 
1 1 1 6  6  58 o 2  1.98130e+01 1.30343e+01 1.18741e+01 180.000 -1.50909e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.39780e+00 0.000   1.72719e+01 0.000   0.1498 
1 1 1 6  6  59 o 11 7.51206e+01 9.57154e+00 1.69257e+01 90.000  -8.38291e-08 9.58893e-01  0.00000e+00 0.00000e+00 1.04400e+02 90.000  8.74741e+01 90.000  0.7438 
1 1 1 6  6  60 o 3  1.20803e+02 7.13884e+00 1.39299e+02 180.000 -1.27749e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.21674e+02 180.000 1.76250e+01 0.000   1.0000 
1 1 1 6  6  61 o 15 5.50263e+01 1.51283e+01 5.08055e+01 90.000  0.00000e+00  2.06836e+00  0.00000e+00 0.00000e+00 6.37311e+01 90.000  1.29256e+01 90.000  0.9686 
1 1 1 6  6  62 o 2  2.05073e+01 1.36720e+01 2.87296e+01 180.000 -4.88785e-01 0.00000e+00  0.00000e+00 0.00000e+00 8.85974e+00 0.000   3.75893e+01 0.000   0.4533 
1 1 1 6  6  63 o 3  5.62982e+01 1.58348e+01 2.88431e+01 270.000 0.00000e+00  -1.42167e+00 0.00000e+00 0.00000e+00 7.76849e+01 270.000 4.88418e+01 270.000 0.8899 
1 1 1 6  6  64 o 9  8.53282e+01 9.44679e+00 4.88987e+01 0.000   4.56393e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.31496e+02 0.000   8.25975e+01 0.000   0.9998 
1 1 1 6  6  65 o 18 2.73613e+01 1.60286e+01 7.85902e+00 270.000 1.84718e-08  -2.11293e-01 0.00000e+00 0.00000e+00 4.12036e+00 270.000 3.73865e+00 90.000  0.2082 
1 1 1 6  6  66 o 9  2.22154e+01 1.44053e+01 6.66885e-01 180.000 -1.54768e-02 0.00000e+00  0.00000e+00 0.00000e+00 5.19934e-02 180.000 6.14892e-01 0.000   0.0155 
1 1 1 7  0  1  o 17 6.45577e+02 6.81901e+00 6.52479e+02 315.000 1.05707e+01  -1.05707e+01 0.00000e+00 0.00000e+00 9.71089e+02 315.000 3.18611e+02 315.000 1.0000 
1 1 1 7  0  2  o 8  1.63451e+02 4.47030e+00 2.13070e+02 0.000   1.22905e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.33127e+02 0.000   7.99436e+01 180.000 0.8423 
1 1 1 7  0  3  o 15 5.23980e+02 6.29666e+00 4.51171e+02 45.000  5.82870e+00  5.82870e+00  0.00000e+00 0.00000e+00 8.66137e+02 45.000  4.14966e+02 45.000  1.0000 
1 1 1 7  0  4  o 14 8.25246e+01 6.50685e+00 1.07128e+02 90.000  0.00000e+00  4.59974e-01  0.00000e+00 0.00000e+00 1.79292e+01 270.000 1.25057e+02 270.000 0.4301 
1 1 1 7  0  5  o 4  4.02615e+02 4.81239e+00 4.28968e+02 135.000 -6.24457e+00 6.24457e+00  0.00000e+00 0.00000e+00 5.82526e+02 135.000 1.53558e+02 135.000 1.0000 
1 1 1 7  0  6  o 6  5.63636e+02 6.09881e+00 6.46910e+02 0.000   1.82243e+01  0.00000e+00  0.00000e+00 0.00000e+00 7.68446e+02 0.000   1.21536e+02 0.000   1.0000 
1 1 1 7  0  7  f 0  4.59580e+02 5.26232e+00 4.75294e+02 225.000 -7.53590e+00 -7.53590e+00 0.00000e+00 0.00000e+00 6.78118e+02 225.000 2.02824e+02 225.000 1.0000 
1 1 1 7  0  8  o 4  2.61193e+02 4.06417e+00 2.85306e+02 270.000 0.00000e+00  -3.54099e+00 0.00000e+00 0.00000e+00 3.68689e+02 270.000 8.33833e+01 270.000 0.9983 
1 1 1 7  0  9  o 8  2.42160e+02 4.03051e+00 3.52139e+02 135.000 -3.71593e+00 3.71593e+00  0.00000e+00 0.00000e+00 2.54740e+02 135.000 9.73991e+01 315.000 0.9999 
1 1 1 7  0  10 o 10 4.95501e+02 5.57171e+00 3.89718e+02 180.000 -1.15282e+01 0.00000e+00  0.00000e+00 0.00000e+00 8.51112e+02 180.000 4.61393e+02 180.000 1.0000 
1 1 1 7  0  11 o 19 4.01127e+01 1.32347e+01 4.42590e+01 45.000  7.18586e-02  7.18586e-02  0.00000e+00 0.00000e+00 3.40951e+01 225.000 7.83541e+01 225.000 0.1013 
1 1 1 7  0  12 o 16 2.70901e+02 3.56885e+00 3.05588e+02 270.000 4.05803e-07  -4.64185e+00 0.00000e+00 0.00000e+00 3.71388e+02 270.000 6.57999e+01 270.000 0.9998 
1 1 1 7  0  13 o 3  2.14879e+01 1.27910e+01 1.07456e+00 135.000 -1.18404e-03 1.18404e-03  0.00000e+00 0.00000e+00 9.84723e-01 315.000 2.05928e+00 315.000 0.0017 
1 1 1 7  0  14 o 11 3.17080e+02 3.72037e+00 6.24788e+02 0.000   1.41241e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.65959e+02 0.000   4.58829e+02 180.000 1.0000 
1 1 1 7  0  15 o 6  5.69325e+01 1.09267e+01 1.76551e+02 225.000 -5.44016e-01 -5.44016e-01 0.00000e+00 0.00000e+00 8.48674e+01 45.000  2.61418e+02 45.000  0.6466 
1 1 1 7  0  16 o 2  1.39644e+02 4.42277e+00 1.47640e+02 270.000 1.34999e-07  -1.54420e+00 0.00000e+00 0.00000e+00 1.69429e+02 270.000 2.17895e+01 270.000 0.9128 
1 1 1 7  0  17 o 4  6.54273e+01 7.49113e+00 4.85566e+01 135.000 -1.87057e-01 1.87057e-01  0.00000e+00 0.00000e+00 6.54137e+00 315.000 5.50980e+01 315.000 0.2585 
1 1 1 7  0  18 o 11 5.41135e+02 5.16162e+00 6.23256e+02 0.000   2.73470e+01  0.00000e+00  0.00000e+00 0.00000e+00 7.18820e+02 0.000   9.55637e+01 0.000   1.0000 
1 1 1 7  0  19 o 9  2.71577e+02 3.91155e+00 5.81294e+02 45.000  1.11279e+01  1.11279e+01  0.00000e+00 0.00000e+00 9.11746e+01 45.000  4.90119e+02 225.000 1.0000 
1 1 1 7  0  20 o 17 2.27890e+02 3.93126e+00 1.30355e+02 270.000 2.51108e-07  -2.87234e+00 0.00000e+00 0.00000e+00 4.29393e+02 270.000 2.99038e+02 270.000 0.9936 
1 1 1 7  0  21 o 9  2.32953e+02 4.80610e+00 5.26541e+02 315.000 7.19671e+00  -7.19671e+00 0.00000e+00 0.00000e+00 4.83009e+01 315.000 4.78240e+02 135.000 1.0000 
1 1 1 7  0  22 o 10 8.90083e+01 6.28465e+00 2.18057e+02 180.000 -1.56541e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.71762e+01 0.000   2.35233e+02 0.000   0.9163 
1 1 1 7  0  23 o 8  1.87177e+02 4.16067e+00 3.69146e+02 45.000  3.74881e+00  3.74881e+00  0.00000e+00 0.00000e+00 9.09651e+01 45.000  2.78181e+02 225.000 1.0000 
1 1 1 7  0  24 o 11 6.02980e+01 8.21876e+00 3.47328e+02 90.000  0.00000e+00  1.85752e+00  0.00000e+00 0.00000e+00 2.06433e+02 270.000 5.53761e+02 270.000 0.9524 
1 1 1 7  0  25 o 4  2.00251e+02 3.90084e+00 1.55864e+02 135.000 -1.88213e+00 1.88213e+00  0.00000e+00 0.00000e+00 3.29617e+02 135.000 1.73753e+02 135.000 0.9903 
1 1 1 7  0  26 o 17 3.60306e+02 4.21227e+00 4.20203e+02 0.000   1.24746e+01  0.00000e+00  0.00000e+00 0.00000e+00 4.59931e+02 0.000   3.97283e+01 0.000   1.0000 
1 1 1 7  0  27 o 8  4.20402e+02 5.45315e+00 4.40345e+02 225.000 -8.94933e+00 -8.94933e+00 0.00000e+00 0.00000e+00 5.84244e+02 225.000 1.43899e+02 225.000 1.0000 
1 1 1 7  0  28 o 6  1.13094e+01 8.18994e+00 4.61941e+01 270.000 0.00000e+00  -4.21172e-02 0.00000e+00 0.00000e+00 4.50367e+01 90.000  9.12308e+01 90.000  0.0421 
1 1 1 7  0  29 o 19 4.29895e+02 4.68033e+00 3.20687e+02 315.000 6.48454e+00  -6.48454e+00 0.00000e+00 0.00000e+00 7.21987e+02 315.000 4.01300e+02 315.000 1.0000 
1 1 1 7  0  30 o 7  6.84680e+01 8.14866e+00 2.91656e+00 0.000   1.69208e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.14035e-01 180.000 3.03059e+00 180.000 0.0169 
1 1 1 7  0  31 o 5  3.62525e+02 4.60966e+00 2.76328e+02 225.000 -5.58522e+00 -5.58522e+00 0.00000e+00 0.00000e+00 5.98405e+02 225.000 3.22077e+02 225.000 1.0000 
1 1 1 7  0  32 o 15 6.75593e+01 7.16506e+00 2.75205e+02 270.000 -1.06985e-16 -1.74720e+00 0.00000e+00 0.00000e+00 1.22217e+02 90.000  3.97422e+02 90.000  0.9411 
1 1 1 7  0  33 o 9  3.63592e+02 4.25641e+00 2.52100e+02 135.000 -5.88572e+00 5.88572e+00  0.00000e+00 0.00000e+00 6.20377e+02 135.000 3.68276e+02 135.000 1.0000 
1 1 1 7  0  34 o 9  1.71558e+02 4.16783e+00 2.01214e+02 0.000   3.44751e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.08439e+02 0.000   7.22494e+00 0.000   0.9980 
1 1 1 7  0  35 o 1  1.22309e+02 4.73068e+00 2.08493e+02 225.000 -1.87036e+00 -1.87036e+00 0.00000e+00 0.00000e+00 8.03564e+01 225.000 1.28137e+02 45.000  0.9900 
1 1 1 7  0  36 o 17 2.50000e+02 3.76164e+00 3.54605e+02 270.000 -6.05042e-16 -9.88109e+00 0.00000e+00 0.00000e+00 2.39963e+02 270.000 1.14643e+02 90.000  1.0000 
1 1 1 7  0  37 o 8  1.83748e+02 3.65489e+00 1.51908e+02 135.000 -2.27634e+00 2.27634e+00  0.00000e+00 0.00000e+00 2.82329e+02 135.000 1.30421e+02 135.000 0.9968 
1 1 1 7  0  38 o 18 3.49863e+01 1.25120e+01 1.84651e+01 180.000 -8.05484e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.18199e+01 0.000   3.02851e+01 0.000   0.0804 
1 1 1 7  0  39 o 14 3.24740e+01 1.92898e+01 4.77332e+01 225.000 -1.35762e-01 -1.35762e-01 0.00000e+00 0.00000e+00 3.32260e+01 45.000  8.09593e+01 45.000  0.1897 
1 1 1 7  0  40 o 4  3.65701e+02 5.63432e+00 4.22964e+02 270.000 -1.40239e-15 -2.29027e+01 0.00000e+00 0.00000e+00 4.35441e+02 270.000 1.24771e+01 270.000 1.0000 
1 1 1 7  0  41 o 14 3.91436e+01 1.88232e+01 1.15596e+02 315.000 5.07922e-01  -5.07922e-01 0.00000e+00 0.00000e+00 5.92072e+01 135.000 1.74803e+02 135.000 0.6159 
1 1 1 7  0  42 f 0  2.41191e+01 1.66677e+01 6.85000e+01 180.000 -2.85774e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.28586e+01 0.000   1.21359e+02 0.000   0.2782 
1 1 1 7  0  43 o 8  3.09789e+02 6.28057e+00 2.56842e+02 225.000 -1.08461e+01 -1.08461e+01 0.00000e+00 0.00000e+00 4.62553e+02 225.000 2.05711e+02 225.000 1.0000 
1 1 1 7  0  44 o 15 6.60522e+01 1.65657e+01 2.11741e+02 90.000  -2.49801e-07 2.85739e+00  0.00000e+00 0.00000e+00 5.99323e+01 270.000 2.71673e+02 270.000 0.9934 
1 1 1 7  0  45 o 11 1.29086e+02 8.18104e+00 1.11994e+02 135.000 -2.13091e+00 2.13091e+00  0.00000e+00 0.00000e+00 1.84072e+02 135.000 7.20780e+01 135.000 0.9952 
1 1 1 7  0  46 o 4  2.46345e+01 1.60685e+01 3.26344e+01 0.000   1.77968e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.26750e+01 180.000 5.53094e+01 180.000 0.1761 
1 1 1 7  0  47 o 16 9.56008e+01 1.03935e+01 4.06087e+01 45.000  7.09907e-01  7.09907e-01  0.00000e+00 0.00000e+00 1.26226e+02 45.000  8.56175e+01 45.000  0.7633 
1 1 1 7  0  48 o 14 1.56251e+02 6.44628e+00 2.22856e+02 90.000  -9.92158e-07 1.13490e+01  0.00000e+00 0.00000e+00 1.32938e+02 90.000  8.99178e+01 270.000 1.0000 
1 1 1 7  0  49 o 18 1.23000e+02 7.44536e+00 5.38568e+01 135.000 -1.54965e+00 1.54965e+00  0.00000e+00 0.00000e+00 2.18174e+02 135.000 1.64318e+02 135.000 0.9753 
1 1 1 7  0  50 o 17 1.47750e+02 6.58084e+00 1.19630e+02 0.000   5.82104e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.13969e+02 0.000   9.43392e+01 0.000   1.0000 
1 1 1 7  0  51 o 9  3.30095e+02 5.36687e+00 2.52381e+02 45.000  2.15015e+01  2.15015e+01  0.00000e+00 0.00000e+00 4.89702e+02 45.000  2.37321e+02 45.000  1.0000 
1 1 1 7  0  52 o 15 2.50689e+02 5.34756e+00 2.89124e+02 90.000  -2.18540e-06 2.49980e+01  0.00000e+00 0.00000e+00 2.71950e+02 90.000  1.71740e+01 270.000 1.0000 
1 1 1 7  0  53 o 18 1.21874e+02 7.45227e+00 1.10486e+02 315.000 3.63676e+00  -3.63676e+00 0.00000e+00 0.00000e+00 1.61031e+02 315.000 5.05449e+01 315.000 0.9999 
1 1 1 7  0  54 o 9  3.66356e+01 1.84184e+01 7.36768e+01 0.000   1.15014e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.23182e+00 180.000 8.09086e+01 180.000 0.8178 
1 1 1 7  0  55 o 8  2.89305e+02 5.33732e+00 2.55153e+02 225.000 -2.43747e+01 -2.43747e+01 0.00000e+00 0.00000e+00 3.83444e+02 225.000 1.28291e+02 225.000 1.0000 
1 1 1 7  0  56 o 5  1.34254e+02 1.13505e+01 9.80036e+01 90.000  -6.37074e-07 7.28728e+00  0.00000e+00 0.00000e+00 1.96927e+02 90.000  9.89229e+01 90.000  1.0000 
1 1 1 7  0  57 o 9  3.11481e+01 1.74461e+01 2.44192e+01 135.000 -3.00065e-01 3.00065e-01  0.00000e+00 0.00000e+00 2.85863e+00 135.000 2.15606e+01 315.000 0.4006 
1 1 1 7  0  58 o 11 7.26818e+01 1.21666e+01 1.60353e+02 0.000   7.21941e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.24867e+00 180.000 1.62602e+02 180.000 1.0000 
1 1 1 7  0  59 o 17 2.67587e+01 1.61179e+01 4.01066e+01 45.000  4.38992e-01  4.38992e-01  0.00000e+00 0.00000e+00 8.15445e+00 225.000 4.82610e+01 225.000 0.5517 
1 1 1 7  0  60 o 2  2.45117e+01 1.53528e+01 4.32577e+01 270.000 6.25292e-08  -7.15251e-01 0.00000e+00 0.00000e+00 1.08527e+01 90.000  5.41104e+01 90.000  0.6140 
1 1 1 7  0  61 o 2  1.99722e+02 5.81281e+00 1.55689e+02 315.000 1.68979e+01  -1.68979e+01 0.00000e+00 0.00000e+00 2.72127e+02 315.000 1.16437e+02 315.000 1.0000 
1 1 1 7  0  62 o 1  5.87004e+01 1.68046e+01 9.67987e+01 180.000 -4.04139e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.81984e+01 180.000 6.86002e+01 0.000   0.9994 
1 1 1 7  0  63 o 12 1.76536e+01 1.23879e+01 4.91119e+01 45.000  4.75124e-01  4.75124e-01  0.00000e+00 0.00000e+00 2.71789e+01 225.000 7.62909e+01 225.000 0.5862 
1 1 1 7  0  64 o 17 4.02086e+01 1.85753e+01 4.20240e+01 270.000 0.00000e+00  -1.29716e+00 0.00000e+00 0.00000e+00 3.09425e+01 270.000 1.10815e+01 90.000  0.8610 
1 1 1 7  0  65 o 10 2.20602e+01 1.46410e+01 6.67426e+01 135.000 -9.93064e-01 9.93064e-01  0.00000e+00 0.00000e+00 2.57618e+01 315.000 9.25044e+01 315.000 0.8863 
1 1 1 7  0  66 o 8  8.39833e+01 1.09294e+01 6.08693e+01 180.000 -5.83561e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.14164e+02 180.000 5.32945e+01 180.000 1.0000 
1 1 1 7  0  67 o 14 4.08089e+01 1.90302e+01 7.10622e+01 45.000  1.83118e+00  1.83118e+00  0.00000e+00 0.00000e+00 1.25570e+01 45.000  5.85052e+01 225.000 0.9888 
1 1 1 7  1  0  o 9  6.12449e+02 6.52450e+00 6.22019e+02 180.000 -1.33585e+01 0.00000e+00  0.00000e+00 0.00000e+00 9.18520e+02 180.000 2.96501e+02 180.000 1.0000 
1 1 1 7  1  1  o 2  4.46338e+02 3.80218e+00 4.90486e+02 93.732  -9.97781e-01 1.52959e+01  0.00000e+00 0.00000e+00 5.94912e+02 93.732  1.04426e+02 93.732  0.9668 
1 1 1 7  1  2  o 3  2.64086e+02 3.07722e+00 2.65958e+02 244.772 -2.08312e+00 -4.42117e+00 0.00000e+00 0.00000e+00 3.25614e+02 244.772 5.96561e+01 244.772 0.8907 
1 1 1 7  1  3  o 8  1.25953e+02 3.46611e+00 8.63099e+01 311.153 7.46273e-01  -8.53884e-01 0.00000e+00 0.00000e+00 6.94642e+01 311.153 1.68457e+01 131.153 0.4919 
1 1 1 7  1  4  o 1  2.67385e+02 2.97435e+00 4.58330e+02 29.974  1.09186e+01  6.29732e+00  0.00000e+00 0.00000e+00 1.86542e+02 29.974  2.71788e+02 209.974 0.9595 
1 1 1 7  1  5  o 18 3.49888e+02 3.28086e+00 4.25694e+02 349.313 1.47789e+01  -2.78890e+00 0.00000e+00 0.00000e+00 4.23708e+02 349.313 1.98584e+00 169.313 0.9662 
1 1 1 7  1  6  o 19 6.20243e+02 4.50907e+00 7.95787e+02 101.614 -9.80975e+00 4.77305e+01  0.00000e+00 0.00000e+00 7.45869e+02 101.614 4.99182e+01 281.614 0.9897 
1 1 1 7  1  7  o 7  5.41705e+02 4.25696e+00 7.08345e+02 62.976  1.68063e+01  3.29508e+01  0.00000e+00 0.00000e+00 6.32864e+02 62.976  7.54814e+01 242.976 0.9864 
1 1 1 7  1  8  o 9  2.66570e+02 2.76531e+00 3.33107e+02 11.973  8.16518e+00  1.73148e+00  0.00000e+00 0.00000e+00 2.94132e+02 11.973  3.89751e+01 191.973 0.9380 
1 1 1 7  1  9  o 19 4.45799e+02 3.64594e+00 6.24515e+02 182.381 -3.39021e+01 -1.40960e+00 0.00000e+00 0.00000e+00 4.76334e+02 182.381 1.48181e+02 2.381   0.9852 
1 1 1 7  1  10 o 15 4.73048e+02 3.79722e+00 6.75571e+02 239.544 -1.91562e+01 -3.25783e+01 0.00000e+00 0.00000e+00 4.93421e+02 239.544 1.82150e+02 59.544  0.9867 
1 1 1 7  1  11 o 3  1.09892e+02 3.69994e+00 1.32884e+02 52.182  1.02667e+00  1.32270e+00  0.00000e+00 0.00000e+00 4.21080e+01 52.182  9.07760e+01 232.182 0.6364 
1 1 1 7  1  12 o 5  5.25971e+02 3.94885e+00 6.04820e+02 100.017 -8.31100e+00 4.70520e+01  0.00000e+00 0.00000e+00 6.96170e+02 100.017 9.13499e+01 100.017 0.9895 
1 1 1 7  1  13 o 16 1.79924e+02 3.20018e+00 2.01464e+02 7.724   5.23971e+00  7.10636e-01  0.00000e+00 0.00000e+00 2.02741e+02 7.724   1.27780e+00 7.724   0.8997 
1 1 1 7  1  14 o 18 1.64384e+02 2.80511e+00 1.18547e+02 12.246  2.69693e+00  5.85380e-01  0.00000e+00 0.00000e+00 2.05572e+02 12.246  8.70251e+01 12.246  0.7905 
1 1 1 7  1  15 o 18 2.66195e+02 2.88788e+00 3.12608e+02 231.795 -7.90545e+00 -1.00441e+01 0.00000e+00 0.00000e+00 3.24014e+02 231.795 1.14052e+01 231.795 0.9600 
1 1 1 7  1  16 o 2  1.77437e+02 3.01441e+00 2.31868e+02 51.026  3.85408e+00  4.76385e+00  0.00000e+00 0.00000e+00 1.71721e+02 51.026  6.01472e+01 231.026 0.9143 
1 1 1 7  1  17 o 19 4.25974e+02 3.24092e+00 5.23522e+02 263.808 -3.99868e+00 -3.68586e+01 0.00000e+00 0.00000e+00 5.20316e+02 263.808 3.20599e+00 83.808  0.9864 
1 1 1 7  1  18 o 5  2.90532e+02 2.87313e+00 3.20583e+02 204.232 -1.37205e+01 -6.17548e+00 0.00000e+00 0.00000e+00 3.75697e+02 204.232 5.51138e+01 204.232 0.9662 
1 1 1 7  1  19 o 19 3.46786e+02 3.24712e+00 4.10273e+02 167.245 -2.75114e+01 6.22779e+00  0.00000e+00 0.00000e+00 4.33183e+02 167.245 2.29102e+01 167.245 0.9821 
1 1 1 7  1  20 o 4  2.04509e+02 2.72302e+00 2.87446e+02 19.350  1.06785e+01  3.74992e+00  0.00000e+00 0.00000e+00 1.95289e+02 19.350  9.21568e+01 199.350 0.9547 
1 1 1 7  1  21 o 5  3.39100e+02 2.95159e+00 5.62397e+02 23.463  2.89374e+01  1.25600e+01  0.00000e+00 0.00000e+00 2.61122e+02 23.463  3.01275e+02 203.463 0.9840 
1 1 1 7  1  22 o 6  3.64368e+02 3.05500e+00 4.73037e+02 133.207 -1.85658e+01 1.97654e+01  0.00000e+00 0.00000e+00 4.07840e+02 133.207 6.51975e+01 313.207 0.9814 
1 1 1 7  1  23 o 14 5.46838e+01 6.29958e+00 7.90759e+01 255.787 -1.61390e-01 -6.37201e-01 0.00000e+00 0.00000e+00 3.71150e+01 75.787  1.16191e+02 75.787  0.3121 
1 1 1 7  1  24 o 3  4.26265e+02 3.51916e+00 6.26998e+02 306.374 2.81402e+01  -3.82053e+01 0.00000e+00 0.00000e+00 4.07826e+02 306.374 2.19172e+02 126.374 0.9894 
1 1 1 7  1  25 o 9  1.00250e+02 3.75356e+00 1.84742e+02 337.777 2.90829e+00  -1.18823e+00 0.00000e+00 0.00000e+00 1.65188e+01 337.777 1.68223e+02 157.777 0.8199 
1 1 1 7  1  26 o 4  1.43102e+02 2.83191e+00 7.39269e+01 70.977  5.66124e-01  1.64204e+00  0.00000e+00 0.00000e+00 1.53138e+02 70.977  7.92107e+01 70.977  0.6495 
1 1 1 7  1  27 o 16 2.79440e+02 2.88979e+00 2.98088e+02 46.931  7.75739e+00  8.29886e+00  0.00000e+00 0.00000e+00 3.52342e+02 46.931  5.42534e+01 46.931  0.9549 
1 1 1 7  1  28 o 19 2.15116e+02 2.52198e+00 3.48158e+02 180.263 -1.20982e+01 -5.55805e-02 0.00000e+00 0.00000e+00 1.52836e+02 180.263 1.95322e+02 0.263   0.9577 
1 1 1 7  1  29 o 4  1.54127e+02 2.73547e+00 7.57697e+01 243.883 -6.81823e-01 -1.39072e+00 0.00000e+00 0.00000e+00 1.51540e+02 243.883 7.57706e+01 243.883 0.6080 
1 1 1 7  1  30 o 18 2.54546e+02 2.54756e+00 2.36175e+02 277.458 1.32479e+00  -1.01194e+01 0.00000e+00 0.00000e+00 3.48723e+02 277.458 1.12549e+02 277.458 0.9497 
1 1 1 7  1  31 o 11 1.73630e+02 2.79908e+00 1.25263e+02 185.227 -3.40499e+00 -3.11526e-01 0.00000e+00 0.00000e+00 2.25352e+02 185.227 1.00089e+02 185.227 0.8368 
1 1 1 7  1  32 o 5  1.28693e+02 2.97472e+00 1.25097e+02 112.343 -1.15058e+00 2.79949e+00  0.00000e+00 0.00000e+00 1.26381e+02 112.343 1.28354e+00 112.343 0.8119 
1 1 1 7  1  33 o 7  2.28287e+02 2.74989e+00 2.36035e+02 36.278  8.95336e+00  6.57151e+00  0.00000e+00 0.00000e+00 2.86562e+02 36.278  5.05277e+01 36.278  0.9539 
1 1 1 7  1  34 o 15 9.50300e+01 3.60676e+00 1.73917e+02 320.812 2.56859e+00  -2.09400e+00 0.00000e+00 0.00000e+00 1.50057e+01 320.812 1.58911e+02 140.812 0.8308 
1 1 1 7  1  35 o 6  5.64906e+02 3.80844e+00 5.69534e+02 189.470 -6.55886e+01 -1.09403e+01 0.00000e+00 0.00000e+00 7.68106e+02 189.470 1.98572e+02 189.470 0.9925 
1 1 1 7  1  36 o 3  5.10543e+02 3.54928e+00 4.41646e+02 137.797 -3.70764e+01 3.36228e+01  0.00000e+00 0.00000e+00 7.60544e+02 137.797 3.18898e+02 137.797 0.9900 
1 1 1 7  1  37 f 0  6.94865e+01 4.25693e+00 2.58945e+01 329.110 3.54042e-01  -2.11802e-01 0.00000e+00 0.00000e+00 7.38938e+00 329.110 1.85052e+01 149.110 0.2020 
1 1 1 7  1  38 o 2  3.07233e+02 2.88586e+00 3.17630e+02 97.070  -3.05005e+00 2.45914e+01  0.00000e+00 0.00000e+00 3.93702e+02 97.070  7.60715e+01 97.070  0.9796 
1 1 1 7  1  40 o 14 2.65956e+02 3.06847e+00 2.38050e+02 249.301 -6.62546e+00 -1.75345e+01 0.00000e+00 0.00000e+00 3.69426e+02 249.301 1.31376e+02 249.301 0.9729 
1 1 1 7  1  41 o 19 2.35907e+02 3.03757e+00 2.20975e+02 146.471 -1.46801e+01 9.72736e+00  0.00000e+00 0.00000e+00 3.15008e+02 146.471 9.40333e+01 146.471 0.9712 
1 1 1 7  1  43 o 17 5.31575e+02 4.20631e+00 4.59520e+02 187.415 -9.32759e+01 -1.21401e+01 0.00000e+00 0.00000e+00 7.68503e+02 187.415 3.08983e+02 187.415 0.9947 
1 1 1 7  1  44 o 16 1.40693e+02 5.39376e+00 1.43631e+02 270.788 1.19424e-01  -8.68423e+00 0.00000e+00 0.00000e+00 1.62552e+02 270.788 1.89214e+01 270.788 0.9405 
1 1 1 7  1  45 o 4  1.42536e+02 5.48096e+00 1.03207e+02 131.264 -4.04331e+00 4.60832e+00  0.00000e+00 0.00000e+00 1.97194e+02 131.264 9.39875e+01 131.264 0.9143 
1 1 1 7  1  46 o 14 5.44048e+01 1.12779e+01 4.32642e+01 66.409  4.16716e-01  9.54253e-01  0.00000e+00 0.00000e+00 1.42976e+01 66.409  2.89666e+01 246.409 0.4608 
1 1 1 7  1  47 o 19 1.15717e+02 5.84431e+00 1.21200e+02 116.122 -3.22594e+00 6.57845e+00  0.00000e+00 0.00000e+00 1.24631e+02 116.122 3.43196e+00 116.122 0.9290 
1 1 1 7  1  48 o 13 1.87763e+02 4.11417e+00 1.81177e+02 235.089 -1.27053e+01 -1.82054e+01 0.00000e+00 0.00000e+00 2.36690e+02 235.089 5.55128e+01 235.089 0.9772 
1 1 1 7  1  49 f 0  1.47205e+02 4.82167e+00 1.85526e+02 41.192  1.36206e+01  1.19206e+01  0.00000e+00 0.00000e+00 1.38963e+02 41.192  4.65629e+01 221.192 0.9720 
1 1 1 7  1  50 o 13 5.77802e+01 1.01620e+01 9.89513e+01 353.739 3.61212e+00  -3.96297e-01 0.00000e+00 0.00000e+00 1.16700e+01 353.739 8.72813e+01 173.739 0.8478 
1 1 1 7  1  51 o 19 2.96048e+02 3.88906e+00 2.89441e+02 341.396 5.91542e+01  -1.99119e+01 0.00000e+00 0.00000e+00 3.70842e+02 341.396 8.14013e+01 341.396 0.9920 
1 1 1 7  1  52 o 15 1.46469e+02 4.72862e+00 1.24346e+02 232.677 -9.68974e+00 -1.27091e+01 0.00000e+00 0.00000e+00 1.93086e+02 232.677 6.87396e+01 232.677 0.9682 
1 1 1 7  1  53 o 7  2.04672e+02 4.07435e+00 2.50867e+02 271.467 1.01203e+00  -3.95274e+01 0.00000e+00 0.00000e+00 1.99404e+02 271.467 5.14628e+01 91.467  0.9873 
1 1 1 7  1  54 o 3  1.71837e+02 4.51089e+00 2.11255e+02 99.128  -5.70585e+00 3.55099e+01  0.00000e+00 0.00000e+00 1.64553e+02 99.128  4.67022e+01 279.128 0.9860 
1 1 1 7  1  55 o 8  8.68933e+01 7.10862e+00 1.26492e+02 105.126 -2.57851e+00 9.53932e+00  0.00000e+00 0.00000e+00 5.53574e+01 105.126 7.11342e+01 285.126 0.9480 
1 1 1 7  1  56 o 7  4.73597e+01 1.01796e+01 3.21956e+01 193.980 -1.56247e+00 -3.88990e-01 0.00000e+00 0.00000e+00 3.25481e+01 193.980 3.52503e-01 193.980 0.6222 
1 1 1 7  1  57 o 13 7.30415e+01 1.14616e+01 6.05155e+01 357.202 5.04889e+00  -2.46742e-01 0.00000e+00 0.00000e+00 8.23588e+01 357.202 2.18433e+01 357.202 0.8946 
1 1 1 7  1  58 o 19 1.54510e+02 4.81999e+00 1.47470e+02 208.956 -2.64813e+01 -1.46522e+01 0.00000e+00 0.00000e+00 1.83083e+02 208.956 3.56126e+01 208.956 0.9833 
1 1 1 7  1  59 o 14 1.14921e+02 5.58123e+00 1.25644e+02 289.109 6.23290e+00  -1.79901e+01 0.00000e+00 0.00000e+00 1.16497e+02 289.109 9.14694e+00 109.109 0.9734 
1 1 1 7  1  60 o 10 3.07422e+01 9.53353e+00 4.60966e+01 41.996  1.47724e+00  1.32993e+00  0.00000e+00 0.00000e+00 3.44576e-02 221.996 4.61311e+01 221.996 0.6957 
1 1 1 7  1  61 o 2  7.42858e+01 7.82224e+00 7.08752e+01 181.146 -7.53281e+00 -1.50748e-01 0.00000e+00 0.00000e+00 7.72994e+01 181.146 6.42421e+00 181.146 0.9311 
1 1 1 7  1  62 o 4  5.06778e+01 1.08467e+01 4.89226e+01 11.173  3.57447e+00  7.06000e-01  0.00000e+00 0.00000e+00 4.26862e+01 11.173  6.23642e+00 191.173 0.8483 
1 1 1 7  1  63 o 4  7.31131e+01 9.27169e+00 8.24706e+01 182.004 -9.19150e+00 -3.21549e-01 0.00000e+00 0.00000e+00 6.38130e+01 182.004 1.86576e+01 2.004   0.9440 
1 1 1 7  1  64 o 13 1.10457e+02 6.21685e+00 7.54684e+01 186.087 -1.62288e+01 -1.73077e+00 0.00000e+00 0.00000e+00 1.50123e+02 186.087 7.46550e+01 186.087 0.9689 
1 1 1 7  1  65 o 15 1.21340e+02 6.12343e+00 8.21795e+01 62.876  1.00668e+01  1.96520e+01  0.00000e+00 0.00000e+00 1.66356e+02 62.876  8.41761e+01 62.876  0.9771 
1 1 1 7  1  66 o 15 4.40771e+01 1.09617e+01 4.74201e+01 351.688 4.12497e+00  -6.02665e-01 0.00000e+00 0.00000e+00 3.24869e+01 351.688 1.49333e+01 171.688 0.8697 
1 1 1 7  1  67 o 9  4.98890e+01 1.08001e+01 4.50042e+01 224.856 -3.22486e+00 -3.20868e+00 0.00000e+00 0.00000e+00 4.61675e+01 224.856 1.16332e+00 224.856 0.8818 
1 1 1 7  2  0  o 7  2.15810e+02 4.85796e+00 3.86417e+01 180.000 -4.25945e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.79634e+02 180.000 1.40993e+02 180.000 0.4019 
1 1 1 7  2  1  o 9  3.88764e+02 3.87253e+00 5.59319e+02 70.433  7.42115e+00  2.08792e+01  0.00000e+00 0.00000e+00 3.96611e+02 70.433  1.62708e+02 250.433 0.9772 
1 1 1 7  2  2  o 11 1.87342e+02 3.58596e+00 3.34775e+02 308.544 3.95970e+00  -4.97026e+00 0.00000e+00 0.00000e+00 9.77135e+01 308.544 2.37061e+02 128.544 0.9175 
1 1 1 7  2  3  o 4  2.35549e+02 3.05227e+00 3.09325e+02 64.879  3.10470e+00  6.62164e+00  0.00000e+00 0.00000e+00 2.41050e+02 64.879  6.82744e+01 244.879 0.9289 
1 1 1 7  2  4  o 8  5.96854e+02 4.36780e+00 6.96314e+02 272.784 1.99661e+00  -4.10571e+01 0.00000e+00 0.00000e+00 7.86232e+02 272.784 8.99177e+01 272.784 0.9878 
1 1 1 7  2  5  o 9  2.26892e+02 2.66687e+00 4.48318e+02 0.808   9.90645e+00  1.39653e-01  0.00000e+00 0.00000e+00 9.24312e+01 0.808   3.55887e+02 180.808 0.9481 
1 1 1 7  2  6  o 6  1.37874e+02 2.90760e+00 2.39925e+02 23.465  2.89691e+00  1.25750e+00  0.00000e+00 0.00000e+00 4.44898e+01 23.465  1.95435e+02 203.465 0.8210 
1 1 1 7  2  7  o 11 3.88085e+02 3.10520e+00 4.51474e+02 27.516  1.45033e+01  7.55525e+00  0.00000e+00 0.00000e+00 4.92778e+02 27.516  4.13048e+01 27.516  0.9689 
1 1 1 7  2  8  o 11 5.76709e+01 5.75831e+00 1.82934e+02 168.090 -1.25028e+00 2.63696e-01  0.00000e+00 0.00000e+00 1.05330e+02 348.090 2.88264e+02 348.090 0.5362 
1 1 1 7  2  9  o 4  3.87633e+02 3.32153e+00 3.57016e+02 307.022 9.86010e+00  -1.30745e+01 0.00000e+00 0.00000e+00 5.84876e+02 307.022 2.27860e+02 307.022 0.9690 
1 1 1 7  2  10 o 15 5.20989e+01 6.58583e+00 1.26620e+02 207.941 -6.67397e-01 -3.53976e-01 0.00000e+00 0.00000e+00 8.05241e+01 27.941  2.07144e+02 27.941  0.3531 
1 1 1 7  2  11 o 7  1.31109e+02 3.18577e+00 2.06449e+02 232.734 -1.83180e+00 -2.40758e+00 0.00000e+00 0.00000e+00 6.00033e+01 232.734 1.46446e+02 52.734  0.8118 
1 1 1 7  2  12 o 3  9.05241e+01 4.41097e+00 1.33775e+02 178.647 -1.77612e+00 4.19400e-02  0.00000e+00 0.00000e+00 1.50665e+01 178.647 1.18709e+02 358.647 0.6575 
1 1 1 7  2  13 o 11 1.01007e+02 3.90105e+00 1.07985e+02 184.952 -1.55088e+00 -1.34376e-01 0.00000e+00 0.00000e+00 4.58978e+01 184.952 6.20873e+01 4.952   0.6098 
1 1 1 7  2  14 o 16 3.46362e+02 2.86377e+00 3.60673e+02 135.024 -1.37235e+01 1.37123e+01  0.00000e+00 0.00000e+00 4.81013e+02 135.024 1.20340e+02 135.024 0.9739 
1 1 1 7  2  15 o 19 4.35575e+01 7.50915e+00 1.62807e+02 261.691 -1.53120e-01 -1.04851e+00 0.00000e+00 0.00000e+00 1.12100e+02 81.691  2.74907e+02 81.691  0.4671 
1 1 1 7  2  16 o 12 3.07881e+02 2.88127e+00 3.05608e+02 170.346 -1.35845e+01 2.31070e+00  0.00000e+00 0.00000e+00 4.32299e+02 170.346 1.26691e+02 170.346 0.9630 
1 1 1 7  2  17 o 4  2.99152e+02 2.78993e+00 4.58664e+02 55.422  1.27537e+01  1.85028e+01  0.00000e+00 0.00000e+00 2.68076e+02 55.422  1.90588e+02 235.422 0.9775 
1 1 1 7  2  18 o 13 3.00108e+02 2.83418e+00 3.98068e+02 48.017  1.60980e+01  1.78895e+01  0.00000e+00 0.00000e+00 3.31018e+02 48.017  6.70498e+01 228.017 0.9790 
1 1 1 7  2  19 o 11 1.35022e+02 2.87813e+00 9.50405e+01 86.954  1.33348e-01  2.50591e+00  0.00000e+00 0.00000e+00 1.61213e+02 86.954  6.61722e+01 86.954  0.7660 
1 1 1 7  2  20 o 17 3.55750e+02 2.81282e+00 2.97375e+02 46.373  1.22605e+01  1.28625e+01  0.00000e+00 0.00000e+00 5.57409e+02 46.373  2.60034e+02 46.373  0.9714 
1 1 1 7  2  21 o 6  2.05700e+02 2.75097e+00 3.60251e+02 343.648 1.16341e+01  -3.41358e+00 0.00000e+00 0.00000e+00 1.26210e+02 343.648 2.34041e+02 163.648 0.9578 
1 1 1 7  2  22 o 15 1.80602e+02 2.61564e+00 1.56510e+02 71.023  1.43018e+00  4.15888e+00  0.00000e+00 0.00000e+00 2.33941e+02 71.023  7.74311e+01 71.023  0.8773 
1 1 1 7  2  23 o 18 5.58666e+02 3.76217e+00 6.82862e+02 290.089 2.37007e+01  -6.48045e+01 0.00000e+00 0.00000e+00 6.81282e+02 290.089 1.57994e+00 110.089 0.9927 
1 1 1 7  2  24 o 17 2.07772e+02 2.73601e+00 3.46044e+02 61.685  5.99329e+00  1.11238e+01  0.00000e+00 0.00000e+00 1.43355e+02 61.685  2.02688e+02 241.685 0.9596 
1 1 1 7  2  25 f 0  4.07239e+02 3.03304e+00 6.34019e+02 145.818 -3.58335e+01 2.43361e+01  0.00000e+00 0.00000e+00 3.51934e+02 145.818 2.82085e+02 325.818 0.9884 
1 1 1 7  2  26 o 8  1.44332e+02 2.84786e+00 2.77188e+02 283.000 1.25511e+00  -5.43658e+00 0.00000e+00 0.00000e+00 4.21661e+01 283.000 2.35022e+02 103.000 0.9053 
1 1 1 7  2  27 o 15 5.89868e+02 4.05532e+00 6.34137e+02 70.050  2.10403e+01  5.79663e+01  0.00000e+00 0.00000e+00 7.92571e+02 70.050  1.58434e+02 70.050  0.9919 
1 1 1 7  2  28 o 19 2.08527e+02 3.04561e+00 3.80566e+02 201.397 -1.18069e+01 -4.62630e+00 0.00000e+00 0.00000e+00 1.06299e+02 201.397 2.74267e+02 21.397  0.9597 
1 1 1 7  2  29 o 4  1.50371e+02 2.78809e+00 2.20617e+02 216.501 -3.49859e+00 -2.58893e+00 0.00000e+00 0.00000e+00 9.89868e+01 216.501 1.21630e+02 36.501  0.8758 
1 1 1 7  2  30 o 6  1.15150e+02 3.27401e+00 1.32547e+02 114.889 -1.07746e+00 2.32231e+00  0.00000e+00 0.00000e+00 8.24629e+01 114.889 5.00840e+01 294.889 0.7714 
1 1 1 7  2  31 o 19 1.26561e+02 3.02252e+00 8.73560e+01 169.336 -1.68932e+00 3.18101e-01  0.00000e+00 0.00000e+00 1.09970e+02 169.336 2.26136e+01 169.336 0.6458 
1 1 1 7  2  32 o 18 3.72143e+02 2.91057e+00 4.91968e+02 333.693 3.05387e+01  -1.50980e+01 0.00000e+00 0.00000e+00 3.90793e+02 333.693 1.01175e+02 153.693 0.9852 
1 1 1 7  2  33 o 9  4.64678e+02 3.45500e+00 5.76253e+02 2.297   5.46007e+01  2.18998e+00  0.00000e+00 0.00000e+00 5.29170e+02 2.297   4.70828e+01 182.297 0.9908 
1 1 1 7  2  34 o 16 3.10998e+02 2.81784e+00 4.42555e+02 120.284 -1.38020e+01 2.36344e+01  0.00000e+00 0.00000e+00 2.88255e+02 120.284 1.54300e+02 300.284 0.9816 
1 1 1 7  2  35 o 10 4.76922e+02 3.51834e+00 5.21965e+02 5.960   5.07526e+01  5.29809e+00  0.00000e+00 0.00000e+00 6.05204e+02 5.960   8.32390e+01 5.960   0.9902 
1 1 1 7  2  37 o 13 2.57308e+02 2.67145e+00 1.14693e+02 49.985  4.32667e+00  5.15361e+00  0.00000e+00 0.00000e+00 4.48299e+02 49.985  3.33606e+02 49.985  0.9224 
1 1 1 7  2  38 o 2  3.22214e+02 3.14907e+00 3.43524e+02 22.345  2.57753e+01  1.05950e+01  0.00000e+00 0.00000e+00 4.04549e+02 22.345  6.10248e+01 22.345  0.9819 
1 1 1 7  2  40 o 6  1.78703e+02 3.55352e+00 2.21271e+02 187.929 -1.14977e+01 -1.60147e+00 0.00000e+00 0.00000e+00 1.79929e+02 187.929 4.13422e+01 7.930   0.9559 
1 1 1 7  2  41 o 19 2.35600e+02 3.29554e+00 1.98623e+02 111.813 -5.59083e+00 1.39689e+01  0.00000e+00 0.00000e+00 3.34132e+02 111.813 1.35509e+02 111.813 0.9662 
1 1 1 7  2  43 o 18 1.73981e+02 3.69928e+00 2.71357e+02 108.915 -5.86603e+00 1.71184e+01  0.00000e+00 0.00000e+00 1.21561e+02 108.915 1.49795e+02 288.915 0.9720 
1 1 1 7  2  44 o 17 2.58737e+02 3.54527e+00 2.84177e+02 296.582 1.41752e+01  -2.83298e+01 0.00000e+00 0.00000e+00 3.05225e+02 296.582 2.10483e+01 296.582 0.9841 
1 1 1 7  2  45 o 18 1.59555e+02 3.54954e+00 1.19720e+02 286.622 2.32534e+00  -7.78937e+00 0.00000e+00 0.00000e+00 2.24771e+02 286.622 1.05051e+02 286.622 0.9363 
1 1 1 7  2  46 o 19 4.86569e+01 8.13804e+00 9.80079e+01 1.258   2.16461e+00  4.75520e-02  0.00000e+00 0.00000e+00 1.71922e+01 181.258 1.15200e+02 181.258 0.7231 
1 1 1 7  2  47 o 19 1.08434e+02 4.35341e+00 1.01984e+02 208.799 -4.76602e+00 -2.62005e+00 0.00000e+00 0.00000e+00 1.21935e+02 208.799 1.99503e+01 208.799 0.9027 
1 1 1 7  2  48 f 0  2.56168e+02 3.00786e+00 3.48694e+02 5.445   5.80749e+01  5.53597e+00  0.00000e+00 0.00000e+00 2.29928e+02 5.445   1.18766e+02 185.445 0.9914 
1 1 1 7  2  49 o 7  1.22806e+02 3.65968e+00 2.12440e+02 316.216 1.25130e+01  -1.19927e+01 0.00000e+00 0.00000e+00 5.80282e+01 316.216 1.54412e+02 136.216 0.9707 
1 1 1 7  2  50 o 12 1.19978e+02 3.58714e+00 1.43223e+02 15.879  1.11797e+01  3.18016e+00  0.00000e+00 0.00000e+00 1.15894e+02 15.879  2.73295e+01 195.879 0.9560 
1 1 1 7  2  51 o 13 2.58183e+01 8.48823e+00 1.55839e+01 359.611 2.78735e-01  -1.89415e-03 0.00000e+00 0.00000e+00 7.56759e+00 179.611 2.31515e+01 179.611 0.1380 
1 1 1 7  2  52 o 16 9.45696e+01 6.14733e+00 1.07786e+02 313.874 6.08056e+00  -6.32437e+00 0.00000e+00 0.00000e+00 9.15307e+01 313.874 1.62552e+01 133.874 0.9412 
1 1 1 7  2  53 o 10 9.65775e+01 6.17850e+00 9.02889e+01 319.089 4.96061e+00  -4.29867e+00 0.00000e+00 0.00000e+00 1.07853e+02 319.089 1.75645e+01 319.089 0.9203 
1 1 1 7  2  54 o 17 1.09026e+02 5.48208e+00 1.87860e+02 289.961 6.82526e+00  -1.87917e+01 0.00000e+00 0.00000e+00 4.79392e+01 289.961 1.39920e+02 109.961 0.9747 
1 1 1 7  2  55 o 13 6.09078e+01 1.09334e+01 1.09339e+02 192.170 -6.43003e+00 -1.38672e+00 0.00000e+00 0.00000e+00 1.44865e+01 192.170 9.48527e+01 12.170  0.9205 
1 1 1 7  2  56 o 1  5.17487e+01 1.45487e+01 7.15801e+01 260.495 -5.72143e-01 -3.41712e+00 0.00000e+00 0.00000e+00 2.38801e+01 260.495 4.77000e+01 80.495  0.8392 
1 1 1 7  2  57 o 17 8.41927e+01 7.68930e+00 7.87012e+01 112.880 -3.22686e+00 7.64652e+00  0.00000e+00 0.00000e+00 9.39791e+01 112.880 1.52779e+01 112.880 0.9377 
1 1 1 7  2  58 o 1  1.68091e+02 4.85905e+00 1.34464e+02 108.393 -9.06779e+00 2.72694e+01  0.00000e+00 0.00000e+00 2.24970e+02 108.393 9.05062e+01 108.393 0.9824 
1 1 1 7  2  59 o 6  1.96313e+02 4.84211e+00 1.75858e+02 63.128  2.07291e+01  4.09082e+01  0.00000e+00 0.00000e+00 2.44611e+02 63.128  6.87531e+01 63.128  0.9890 
1 1 1 7  2  60 o 6  5.02346e+01 1.05832e+01 4.29773e+01 160.121 -2.75126e+00 9.94812e-01  0.00000e+00 0.00000e+00 4.40753e+01 160.121 1.09803e+00 160.121 0.8043 
1 1 1 7  2  61 o 19 6.96794e+01 8.98400e+00 4.70419e+01 202.198 -4.20314e+00 -1.71509e+00 0.00000e+00 0.00000e+00 8.46008e+01 202.198 3.75588e+01 202.198 0.8815 
1 1 1 7  2  62 o 17 3.76484e+01 1.08794e+01 6.46937e+01 279.410 5.82847e-01  -3.51695e+00 0.00000e+00 0.00000e+00 3.08306e+00 279.410 6.16106e+01 99.410  0.8444 
1 1 1 7  2  63 o 4  8.40445e+01 7.77462e+00 9.92797e+01 236.736 -8.01604e+00 -1.22199e+01 0.00000e+00 0.00000e+00 7.27247e+01 236.736 2.65550e+01 56.736  0.9652 
1 1 1 7  2  64 o 8  4.84252e+01 1.04124e+01 3.97664e+01 224.452 -2.47293e+00 -2.42609e+00 0.00000e+00 0.00000e+00 4.59370e+01 224.452 6.17051e+00 224.452 0.8392 
1 1 1 7  2  65 o 7  3.27961e+01 9.98853e+00 1.23361e+01 23.576  7.15513e-01  3.12245e-01  0.00000e+00 0.00000e+00 1.26540e+01 23.576  3.17908e-01 23.576  0.3633 
1 1 1 7  2  66 o 2  3.68465e+01 1.04561e+01 2.25708e+01 144.637 -1.38045e+00 9.79692e-01  0.00000e+00 0.00000e+00 2.66288e+01 144.637 4.05796e+00 144.637 0.6403 
1 1 1 7  2  67 o 9  2.88968e+01 9.26042e+00 1.31277e+01 4.966   8.16799e-01  7.09775e-02  0.00000e+00 0.00000e+00 9.57750e+00 4.966   3.55017e+00 184.966 0.3790 
1 1 1 7  3  0  o 8  7.31531e+02 7.63388e+00 9.56429e+02 180.000 -3.35665e+01 0.00000e+00  0.00000e+00 0.00000e+00 8.85743e+02 180.000 7.06856e+01 0.000   1.0000 
1 1 1 7  3  1  o 7  3.01966e+02 2.86256e+00 2.52015e+02 349.676 7.18905e+00  -1.30961e+00 0.00000e+00 0.00000e+00 4.54246e+02 349.676 2.02230e+02 349.676 0.9288 
1 1 1 7  3  2  o 2  1.89943e+02 2.76844e+00 2.93142e+02 289.165 1.74608e+00  -5.02380e+00 0.00000e+00 0.00000e+00 1.37409e+02 289.165 1.55733e+02 109.166 0.9003 
1 1 1 7  3  3  f 0  5.01089e+02 3.82479e+00 6.15106e+02 344.624 2.81173e+01  -7.73228e+00 0.00000e+00 0.00000e+00 6.24446e+02 344.624 9.33976e+00 344.624 0.9827 
1 1 1 7  3  4  o 17 4.05961e+02 3.23058e+00 4.53136e+02 310.444 1.11615e+01  -1.30942e+01 0.00000e+00 0.00000e+00 5.38320e+02 310.444 8.51845e+01 310.444 0.9705 
1 1 1 7  3  5  o 19 3.60567e+02 3.02844e+00 3.36502e+02 20.845  1.39498e+01  5.31170e+00  0.00000e+00 0.00000e+00 5.39584e+02 20.845  2.03082e+02 20.845  0.9659 
1 1 1 7  3  6  o 9  4.26582e+02 3.18403e+00 5.31862e+02 257.113 -6.11441e+00 -2.67258e+01 0.00000e+00 0.00000e+00 5.20960e+02 257.113 1.09025e+01 77.113  0.9816 
1 1 1 7  3  7  o 4  3.63833e+02 2.90626e+00 6.08480e+02 239.183 -1.34345e+01 -2.25213e+01 0.00000e+00 0.00000e+00 2.88199e+02 239.183 3.20282e+02 59.183  0.9807 
1 1 1 7  3  8  o 11 1.54773e+02 2.71540e+00 3.07866e+02 305.934 3.23999e+00  -4.47026e+00 0.00000e+00 0.00000e+00 4.35816e+01 305.934 2.64285e+02 125.934 0.9042 
1 1 1 7  3  9  o 8  3.55602e+02 2.87505e+00 5.07429e+02 129.061 -1.28611e+01 1.58477e+01  0.00000e+00 0.00000e+00 3.62796e+02 129.061 1.44633e+02 309.061 0.9752 
1 1 1 7  3  10 o 4  4.20036e+01 6.99637e+00 1.43777e+02 31.766  7.60746e-01  4.71049e-01  0.00000e+00 0.00000e+00 1.00821e+02 211.766 2.44598e+02 211.766 0.4079 
1 1 1 7  3  11 o 9  1.23156e+02 2.98986e+00 5.84753e+01 83.156  1.24961e-01  1.04115e+00  0.00000e+00 0.00000e+00 8.44804e+01 83.156  2.60052e+01 83.156  0.4634 
1 1 1 7  3  12 o 16 2.80897e+02 2.68009e+00 3.70197e+02 180.321 -1.47666e+01 -8.28069e-02 0.00000e+00 0.00000e+00 3.08551e+02 180.321 6.16460e+01 0.321   0.9655 
1 1 1 7  3  13 o 14 3.03254e+02 2.84210e+00 4.01485e+02 19.608  1.77380e+01  6.31884e+00  0.00000e+00 0.00000e+00 3.36220e+02 19.608  6.52651e+01 199.607 0.9731 
1 1 1 7  3  14 o 14 4.48085e+02 3.76901e+00 5.29923e+02 265.332 -2.90532e+00 -3.55815e+01 0.00000e+00 0.00000e+00 5.73178e+02 265.332 4.32547e+01 265.332 0.9859 
1 1 1 7  3  15 o 10 3.15705e+02 2.91663e+00 3.25955e+02 27.124  1.54378e+01  7.90799e+00  0.00000e+00 0.00000e+00 4.38343e+02 27.124  1.12388e+02 27.124  0.9707 
1 1 1 7  3  16 o 4  3.23003e+02 2.99172e+00 4.95041e+02 242.169 -1.22498e+01 -2.32039e+01 0.00000e+00 0.00000e+00 2.93943e+02 242.169 2.01098e+02 62.169  0.9808 
1 1 1 7  3  17 o 3  1.72281e+02 2.66774e+00 1.38730e+02 309.008 2.40551e+00  -2.96974e+00 0.00000e+00 0.00000e+00 2.28169e+02 309.008 8.94388e+01 309.008 0.8563 
1 1 1 7  3  18 o 2  3.80753e+02 3.02002e+00 4.90915e+02 77.854  7.72952e+00  3.59151e+01  0.00000e+00 0.00000e+00 4.41645e+02 77.854  4.92694e+01 257.854 0.9863 
1 1 1 7  3  19 o 8  1.19217e+02 3.23909e+00 1.71549e+02 279.350 5.61276e-01  -3.40883e+00 0.00000e+00 0.00000e+00 7.63526e+01 279.350 9.51965e+01 99.350  0.8387 
1 1 1 7  3  20 o 15 5.20651e+02 3.70517e+00 6.73705e+02 34.064  4.78232e+01  3.23349e+01  0.00000e+00 0.00000e+00 6.03779e+02 34.064  6.99261e+01 214.064 0.9913 
1 1 1 7  3  21 o 17 3.20940e+02 3.25600e+00 3.71074e+02 209.778 -1.62102e+01 -9.27558e+00 0.00000e+00 0.00000e+00 4.00371e+02 209.778 2.92971e+01 209.778 0.9728 
1 1 1 7  3  22 o 4  3.24346e+02 3.10227e+00 5.77274e+02 132.223 -1.92095e+01 2.11681e+01  0.00000e+00 0.00000e+00 2.08512e+02 132.223 3.68762e+02 312.223 0.9823 
1 1 1 7  3  23 o 13 5.62345e+02 4.08354e+00 6.36306e+02 2.531   6.33895e+01  2.80205e+00  0.00000e+00 0.00000e+00 7.36915e+02 2.531   1.00609e+02 2.531   0.9921 
1 1 1 7  3  24 o 7  5.48089e+01 6.27807e+00 1.23092e+02 139.012 -8.60064e-01 7.47329e-01  0.00000e+00 0.00000e+00 5.66358e+01 319.012 1.79728e+02 319.012 0.4936 
1 1 1 7  3  25 o 7  1.89880e+02 2.92008e+00 2.21377e+02 206.428 -6.19361e+00 -3.07837e+00 0.00000e+00 0.00000e+00 2.08966e+02 206.428 1.24111e+01 26.428  0.9246 
1 1 1 7  3  26 o 2  2.60839e+02 2.65704e+00 2.53774e+02 65.618  3.74075e+00  8.25348e+00  0.00000e+00 0.00000e+00 3.47898e+02 65.618  9.41231e+01 65.618  0.9431 
1 1 1 7  3  27 o 14 5.29429e+02 3.74951e+00 7.39419e+02 263.157 -7.55909e+00 -6.29893e+01 0.00000e+00 0.00000e+00 5.42312e+02 263.157 1.97108e+02 83.157  0.9921 
1 1 1 7  3  28 o 3  7.24973e+02 4.67312e+00 1.00615e+03 167.714 -9.48793e+01 2.06629e+01  0.00000e+00 0.00000e+00 7.49687e+02 167.714 2.56460e+02 347.714 0.9948 
1 1 1 7  3  29 o 12 7.35886e+02 4.73298e+00 6.81524e+02 77.862  1.79750e+01  8.35780e+01  0.00000e+00 0.00000e+00 1.09511e+03 77.862  4.13581e+02 77.862  0.9941 
1 1 1 7  3  30 o 13 8.64974e+01 4.21595e+00 9.94712e+01 93.081  -7.31870e-02 1.35959e+00  0.00000e+00 0.00000e+00 1.78640e+01 93.081  8.16072e+01 273.081 0.5600 
1 1 1 7  3  31 o 12 1.09736e+02 3.57115e+00 1.57563e+02 103.262 -6.05541e-01 2.56920e+00  0.00000e+00 0.00000e+00 4.90614e+01 103.262 1.08502e+02 283.262 0.7794 
1 1 1 7  3  32 o 19 3.29279e+02 2.81058e+00 3.83187e+02 318.168 1.72004e+01  -1.53961e+01 0.00000e+00 0.00000e+00 3.92807e+02 318.168 9.62051e+00 318.168 0.9781 
1 1 1 7  3  33 o 18 2.14865e+02 2.72821e+00 2.02748e+02 29.437  7.63867e+00  4.31070e+00  0.00000e+00 0.00000e+00 2.83117e+02 29.437  8.03684e+01 29.437  0.9411 
1 1 1 7  3  34 o 6  2.10867e+02 3.01977e+00 2.85478e+02 145.681 -9.73066e+00 6.64252e+00  0.00000e+00 0.00000e+00 1.97766e+02 145.681 8.77120e+01 325.681 0.9566 
1 1 1 7  3  35 o 17 5.91758e+01 7.91986e+00 1.10780e+02 219.732 -1.00647e+00 -8.36525e-01 0.00000e+00 0.00000e+00 3.37209e+01 39.732  1.44501e+02 39.732  0.5452 
1 1 1 7  3  36 o 9  2.06102e+02 2.91114e+00 2.67371e+02 151.685 -1.05471e+01 5.68259e+00  0.00000e+00 0.00000e+00 2.02471e+02 151.685 6.49007e+01 331.685 0.9573 
1 1 1 7  3  37 o 12 2.11082e+02 3.45038e+00 3.09517e+02 358.570 1.68001e+01  -4.19361e-01 0.00000e+00 0.00000e+00 1.76411e+02 358.570 1.33107e+02 178.570 0.9698 
1 1 1 7  3  38 o 1  2.44383e+02 3.50393e+00 2.34218e+02 187.342 -1.49946e+01 -1.93212e+00 0.00000e+00 0.00000e+00 3.24569e+02 187.342 9.03507e+01 187.342 0.9663 
1 1 1 7  3  39 o 17 4.46523e+02 3.52668e+00 4.68810e+02 157.275 -5.79636e+01 2.42767e+01  0.00000e+00 0.00000e+00 5.75819e+02 157.275 1.07009e+02 157.275 0.9920 
1 1 1 7  3  40 o 17 1.09902e+02 4.66398e+00 7.03191e+01 249.160 -9.38315e-01 -2.46500e+00 0.00000e+00 0.00000e+00 1.30941e+02 249.160 6.06219e+01 249.160 0.7792 
1 1 1 7  3  41 o 9  1.76600e+02 3.96921e+00 1.38868e+02 274.226 5.73253e-01  -7.75740e+00 0.00000e+00 0.00000e+00 2.47164e+02 274.226 1.08296e+02 274.226 0.9333 
1 1 1 7  3  42 o 6  2.05971e+02 7.22022e+00 1.91071e+02 125.360 -8.00922e+00 1.12866e+01  0.00000e+00 0.00000e+00 2.71904e+02 125.360 8.08335e+01 125.360 0.9632 
1 1 1 7  3  43 o 8  1.92528e+02 5.13323e+00 1.64997e+02 251.805 -4.33573e+00 -1.31914e+01 0.00000e+00 0.00000e+00 2.66233e+02 251.805 1.01236e+02 251.805 0.9633 
1 1 1 7  3  44 o 5  2.17129e+02 3.56169e+00 3.15336e+02 8.726   2.89257e+01  4.43949e+00  0.00000e+00 0.00000e+00 1.78968e+02 8.726   1.36368e+02 188.726 0.9828 
1 1 1 7  3  45 o 13 1.73523e+02 4.08144e+00 1.87670e+02 91.083  -2.58684e-01 1.36897e+01  0.00000e+00 0.00000e+00 1.97840e+02 91.083  1.01697e+01 91.083  0.9628 
1 1 1 7  3  46 f 0  4.88446e+01 8.74205e+00 5.21528e+01 331.445 1.15872e+00  -6.30584e-01 0.00000e+00 0.00000e+00 9.39013e+00 331.445 4.27626e+01 151.445 0.5482 
1 1 1 7  3  47 o 14 1.53546e+02 3.78064e+00 1.77380e+02 239.848 -6.68305e+00 -1.15046e+01 0.00000e+00 0.00000e+00 1.60662e+02 239.848 1.67184e+01 59.848  0.9617 
1 1 1 7  3  48 o 11 1.26155e+02 4.65046e+00 1.27763e+02 351.394 1.02256e+01  -1.54756e+00 0.00000e+00 0.00000e+00 1.45588e+02 351.394 1.78246e+01 351.394 0.9504 
1 1 1 7  3  49 o 7  3.39482e+01 9.34664e+00 1.09688e+02 186.110 -2.36001e+00 -2.52620e-01 0.00000e+00 0.00000e+00 5.18404e+01 6.110   1.61529e+02 6.110   0.7505 
1 1 1 7  3  50 o 4  3.03591e+02 3.48767e+00 3.34539e+02 328.543 5.81696e+01  -3.55866e+01 0.00000e+00 0.00000e+00 3.46768e+02 328.543 1.22290e+01 328.543 0.9926 
1 1 1 7  3  51 o 10 1.89199e+02 3.63468e+00 1.57219e+02 281.691 4.23231e+00  -2.04530e+01 0.00000e+00 0.00000e+00 2.58338e+02 281.691 1.01118e+02 281.691 0.9758 
1 1 1 7  3  52 o 16 1.15962e+02 4.47640e+00 1.45846e+02 126.387 -8.72255e+00 1.18367e+01  0.00000e+00 0.00000e+00 1.05025e+02 126.387 4.08214e+01 306.387 0.9654 
1 1 1 7  3  53 o 8  4.44497e+01 7.96091e+00 7.02738e+01 180.614 -2.86977e+00 -3.07711e-02 0.00000e+00 0.00000e+00 9.04426e+00 180.614 6.12295e+01 0.614   0.7999 
1 1 1 7  3  54 o 11 5.09221e+01 9.42938e+00 7.57209e+01 73.014  9.92551e-01  3.24926e+00  0.00000e+00 0.00000e+00 1.87622e+01 73.014  5.69588e+01 253.014 0.8356 
1 1 1 7  3  55 o 18 2.04979e+02 3.13354e+00 2.23524e+02 102.571 -1.11135e+01 4.98390e+01  0.00000e+00 0.00000e+00 2.25055e+02 102.571 1.53068e+00 102.571 0.9902 
1 1 1 7  3  57 o 16 9.55537e+01 4.37364e+00 1.04272e+02 269.108 -2.04201e-01 -1.31177e+01 0.00000e+00 0.00000e+00 9.67503e+01 269.108 7.52217e+00 89.108  0.9611 
1 1 1 7  3  58 o 4  1.16182e+02 3.73884e+00 1.12222e+02 162.146 -1.58920e+01 5.11898e+00  0.00000e+00 0.00000e+00 1.33134e+02 162.146 2.09127e+01 162.146 0.9696 
1 1 1 7  3  59 o 16 1.20174e+02 5.16228e+00 1.22264e+02 282.437 4.36959e+00  -1.98133e+01 0.00000e+00 0.00000e+00 1.31666e+02 282.437 9.40128e+00 282.437 0.9750 
1 1 1 7  3  60 o 11 2.98821e+01 9.12607e+00 3.63769e+01 242.766 -7.09792e-01 -1.37908e+00 0.00000e+00 0.00000e+00 2.82634e+00 242.766 3.35505e+01 62.766  0.6085 
1 1 1 7  3  61 o 8  5.75569e+01 9.67287e+00 6.64151e+01 320.461 3.98519e+00  -3.28965e+00 0.00000e+00 0.00000e+00 4.43337e+01 320.461 2.20814e+01 140.461 0.8971 
1 1 1 7  3  62 o 8  9.94136e+01 5.94290e+00 6.83755e+01 307.334 6.89419e+00  -9.03874e+00 0.00000e+00 0.00000e+00 1.34163e+02 307.334 6.57880e+01 307.334 0.9549 
1 1 1 7  3  63 o 8  1.04827e+02 6.70135e+00 1.03975e+02 79.219  3.65820e+00  1.92123e+01  0.00000e+00 0.00000e+00 1.12702e+02 79.219  8.72641e+00 79.219  0.9741 
1 1 1 7  3  64 o 11 2.96344e+01 9.31179e+00 3.26993e+01 346.435 1.75929e+00  -4.24478e-01 0.00000e+00 0.00000e+00 8.82275e+00 346.435 2.38766e+01 166.435 0.6639 
1 1 1 7  3  65 o 2  3.14082e+01 9.59220e+00 5.81774e+01 42.004  2.66000e+00  2.39546e+00  0.00000e+00 0.00000e+00 2.46842e+00 222.004 6.06458e+01 222.004 0.8452 
1 1 1 7  3  66 o 1  5.42112e+01 1.08102e+01 6.78172e+01 216.908 -6.11327e+00 -4.59130e+00 0.00000e+00 0.00000e+00 3.76319e+01 216.908 3.01853e+01 36.908  0.9321 
1 1 1 7  3  67 o 9  4.51779e+01 1.11625e+01 1.95114e+01 312.799 1.32267e+00  -1.42840e+00 0.00000e+00 0.00000e+00 4.50596e+01 312.799 2.55481e+01 312.799 0.6888 
1 1 1 7  4  0  o 11 3.17521e+01 1.26417e+01 6.54444e+01 180.000 -1.22663e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.56756e+01 0.000   1.21120e+02 0.000   0.1221 
1 1 1 7  4  1  o 9  3.18742e+02 2.64142e+00 3.56864e+02 243.847 -5.97478e+00 -1.21677e+01 0.00000e+00 0.00000e+00 4.16341e+02 243.847 5.94769e+01 243.847 0.9624 
1 1 1 7  4  2  o 18 6.35303e+02 4.15308e+00 7.91457e+02 243.335 -2.67271e+01 -5.32227e+01 0.00000e+00 0.00000e+00 7.96206e+02 243.335 4.74946e+00 243.335 0.9916 
1 1 1 7  4  3  o 2  4.29909e+02 3.21075e+00 5.51315e+02 175.221 -2.77956e+01 2.32380e+00  0.00000e+00 0.00000e+00 5.12358e+02 175.221 3.89571e+01 355.221 0.9819 
1 1 1 7  4  4  o 2  3.55896e+02 3.37209e+00 5.81344e+02 308.298 1.49329e+01  -1.89096e+01 0.00000e+00 0.00000e+00 2.96354e+02 308.298 2.84990e+02 128.298 0.9790 
1 1 1 7  4  5  o 12 2.11143e+02 2.64007e+00 2.14142e+02 95.614  -5.08836e-01 5.17640e+00  0.00000e+00 0.00000e+00 2.63213e+02 95.614  4.90709e+01 95.614  0.8979 
1 1 1 7  4  6  o 1  3.81118e+02 3.14415e+00 5.19744e+02 69.543  7.84003e+00  2.10171e+01  0.00000e+00 0.00000e+00 4.17836e+02 69.543  1.01908e+02 249.543 0.9774 
1 1 1 7  4  7  o 4  1.82309e+02 2.85095e+00 3.78531e+02 28.556  9.13098e+00  4.96918e+00  0.00000e+00 0.00000e+00 5.74062e+01 28.556  3.21124e+02 208.555 0.9506 
1 1 1 7  4  8  o 14 4.52939e+02 3.45896e+00 4.62034e+02 113.958 -1.25616e+01 2.82690e+01  0.00000e+00 0.00000e+00 6.58006e+02 113.958 1.95972e+02 113.958 0.9837 
1 1 1 7  4  9  o 10 5.83615e+01 5.50978e+00 1.89589e+02 233.473 -9.51427e-01 -1.28452e+00 0.00000e+00 0.00000e+00 9.87608e+01 53.473  2.88349e+02 53.473  0.6196 
1 1 1 7  4  10 o 18 1.19553e+02 3.23653e+00 2.58263e+02 142.797 -3.49277e+00 2.65141e+00  0.00000e+00 0.00000e+00 4.85046e+00 142.797 2.53413e+02 322.797 0.8769 
1 1 1 7  4  11 f 0  1.75018e+02 2.92702e+00 3.05466e+02 171.244 -8.21148e+00 1.26476e+00  0.00000e+00 0.00000e+00 1.06085e+02 171.244 1.99381e+02 351.244 0.9377 
1 1 1 7  4  12 o 15 5.80362e+02 4.34611e+00 8.47618e+02 223.680 -5.39066e+01 -5.14778e+01 0.00000e+00 0.00000e+00 5.96482e+02 223.680 2.51136e+02 43.680  0.9933 
1 1 1 7  4  13 o 16 3.23822e+02 2.90389e+00 4.42872e+02 332.027 1.87778e+01  -9.97316e+00 0.00000e+00 0.00000e+00 3.48181e+02 332.027 9.46916e+01 152.027 0.9762 
1 1 1 7  4  14 o 15 1.20369e+02 3.23683e+00 9.49887e+01 351.698 1.88338e+00  -2.74816e-01 0.00000e+00 0.00000e+00 1.09973e+02 351.698 1.49842e+01 351.698 0.6812 
1 1 1 7  4  15 o 9  3.14487e+02 2.94249e+00 4.69775e+02 296.296 1.06407e+01  -2.15339e+01 0.00000e+00 0.00000e+00 2.98790e+02 296.296 1.70985e+02 116.296 0.9790 
1 1 1 7  4  16 o 9  2.63379e+02 2.91665e+00 4.95174e+02 39.017  2.03283e+01  1.64717e+01  0.00000e+00 0.00000e+00 1.48775e+02 39.017  3.46399e+02 219.017 0.9807 
1 1 1 7  4  17 o 1  3.39356e+02 3.19281e+00 3.54557e+02 38.721  1.83428e+01  1.47066e+01  0.00000e+00 0.00000e+00 4.72108e+02 38.721  1.17551e+02 38.721  0.9785 
1 1 1 7  4  18 o 15 3.17834e+02 2.96058e+00 2.52128e+02 74.992  3.49566e+00  1.30383e+01  0.00000e+00 0.00000e+00 5.08079e+02 74.992  2.55951e+02 74.992  0.9622 
1 1 1 7  4  19 o 11 2.98068e+02 2.80736e+00 3.32180e+02 269.685 -8.95030e-02 -1.62907e+01 0.00000e+00 0.00000e+00 3.84488e+02 269.685 5.23083e+01 269.685 0.9688 
1 1 1 7  4  20 o 9  4.97107e+01 7.59816e+00 6.31220e+01 92.177  -1.85204e-02 4.87093e-01  0.00000e+00 0.00000e+00 3.39617e+01 272.177 9.70838e+01 272.177 0.2368 
1 1 1 7  4  21 o 11 2.80973e+02 2.67785e+00 2.50764e+02 201.532 -1.00213e+01 -3.95402e+00 0.00000e+00 0.00000e+00 4.11068e+02 201.532 1.60304e+02 201.532 0.9524 
1 1 1 7  4  22 o 11 3.98616e+02 3.19548e+00 4.48886e+02 214.511 -2.62414e+01 -1.80429e+01 0.00000e+00 0.00000e+00 5.19586e+02 214.511 7.07003e+01 214.511 0.9842 
1 1 1 7  4  23 o 1  2.95408e+02 2.99781e+00 3.81031e+02 145.199 -1.57647e+01 1.09573e+01  0.00000e+00 0.00000e+00 3.27601e+02 145.199 5.34305e+01 325.199 0.9736 
1 1 1 7  4  24 o 10 1.62685e+02 3.46841e+00 1.99144e+02 263.055 -6.47262e-01 -5.31341e+00 0.00000e+00 0.00000e+00 1.61264e+02 263.055 3.78802e+01 83.055  0.9010 
1 1 1 7  4  25 o 11 4.42921e+02 3.24307e+00 5.58389e+02 145.268 -2.79763e+01 1.93948e+01  0.00000e+00 0.00000e+00 5.12320e+02 145.268 4.60691e+01 325.268 0.9852 
1 1 1 7  4  26 o 15 1.89500e+02 2.97082e+00 2.18036e+02 221.364 -5.06622e+00 -4.46079e+00 0.00000e+00 0.00000e+00 2.10021e+02 221.364 8.01445e+00 41.364  0.9226 
1 1 1 7  4  27 o 5  4.57638e+02 4.17304e+00 5.68581e+02 81.141  5.38397e+00  3.45412e+01  0.00000e+00 0.00000e+00 5.33190e+02 81.141  3.53905e+01 261.141 0.9856 
1 1 1 7  4  28 o 9  3.99731e+02 3.06561e+00 4.99189e+02 147.579 -2.90762e+01 1.84670e+01  0.00000e+00 0.00000e+00 4.60678e+02 147.579 3.85116e+01 327.579 0.9854 
1 1 1 7  4  29 o 13 2.14168e+02 2.79897e+00 1.13023e+02 34.938  3.30595e+00  2.30948e+00  0.00000e+00 0.00000e+00 3.37201e+02 34.938  2.24177e+02 34.938  0.8648 
1 1 1 7  4  30 o 4  1.97736e+02 2.94248e+00 1.64724e+02 37.677  3.98549e+00  3.07776e+00  0.00000e+00 0.00000e+00 2.64012e+02 37.677  9.92879e+01 37.677  0.8942 
1 1 1 7  4  31 o 11 2.25056e+02 2.80256e+00 3.99972e+02 140.758 -1.29185e+01 1.05517e+01  0.00000e+00 0.00000e+00 1.27724e+02 140.758 2.72248e+02 320.758 0.9695 
1 1 1 7  4  32 f 0  6.58417e+02 4.71878e+00 6.82835e+02 16.077  8.77539e+01  2.52915e+01  0.00000e+00 0.00000e+00 8.96432e+02 16.077  2.13598e+02 16.077  0.9945 
1 1 1 7  4  33 o 7  2.92006e+02 3.13347e+00 3.33714e+02 11.011  1.89849e+01  3.69419e+00  0.00000e+00 0.00000e+00 3.50177e+02 11.011  1.64634e+01 11.011  0.9738 
1 1 1 7  4  34 o 14 2.02326e+02 3.23359e+00 2.69411e+02 205.474 -1.00921e+01 -4.80809e+00 0.00000e+00 0.00000e+00 1.93553e+02 205.474 7.58584e+01 25.474  0.9542 
1 1 1 7  4  36 o 4  2.89508e+02 3.24175e+00 2.84537e+02 118.357 -8.93173e+00 1.65483e+01  0.00000e+00 0.00000e+00 3.86953e+02 118.357 1.02416e+02 118.357 0.9730 
1 1 1 7  4  37 o 6  3.18115e+02 3.31189e+00 4.16483e+02 165.649 -3.24081e+01 8.29124e+00  0.00000e+00 0.00000e+00 3.28036e+02 165.649 8.84468e+01 345.649 0.9849 
1 1 1 7  4  39 o 6  3.34176e+02 3.30592e+00 3.92635e+02 146.666 -3.23648e+01 2.12869e+01  0.00000e+00 0.00000e+00 3.85993e+02 146.666 6.64193e+00 326.666 0.9870 
1 1 1 7  4  40 o 5  3.00368e+02 3.17046e+00 3.15344e+02 35.447  2.49644e+01  1.77723e+01  0.00000e+00 0.00000e+00 3.79685e+02 35.447  6.43412e+01 35.447  0.9835 
1 1 1 7  4  42 o 15 8.02972e+01 6.34358e+00 7.99786e+01 139.595 -1.86589e+00 1.58828e+00  0.00000e+00 0.00000e+00 6.24842e+01 139.595 1.74944e+01 319.595 0.7595 
1 1 1 7  4  43 o 4  7.19307e+01 6.45683e+00 5.16603e+01 271.869 5.18674e-02  -1.58939e+00 0.00000e+00 0.00000e+00 5.17476e+01 271.869 8.73237e-02 271.869 0.6177 
1 1 1 7  4  44 o 10 1.77243e+02 4.14618e+00 1.56875e+02 246.780 -4.69547e+00 -1.09447e+01 0.00000e+00 0.00000e+00 2.36460e+02 246.780 7.95849e+01 246.780 0.9570 
1 1 1 7  4  45 f 0  9.50299e+01 6.21465e+00 1.37976e+02 30.824  5.23365e+00  3.12289e+00  0.00000e+00 0.00000e+00 6.26122e+01 30.824  7.53640e+01 210.824 0.9138 
1 1 1 7  4  46 o 6  2.11963e+02 3.50603e+00 2.30770e+02 23.656  2.38192e+01  1.04341e+01  0.00000e+00 0.00000e+00 2.47453e+02 23.656  1.66824e+01 23.656  0.9806 
1 1 1 7  4  47 o 11 1.94664e+02 4.14873e+00 1.65691e+02 87.280  1.00377e+00  2.11261e+01  0.00000e+00 0.00000e+00 2.69729e+02 87.280  1.04038e+02 87.280  0.9761 
1 1 1 7  4  48 o 9  9.30435e+01 5.24381e+00 1.30966e+02 117.140 -3.69275e+00 7.20386e+00  0.00000e+00 0.00000e+00 6.77993e+01 117.140 6.31666e+01 297.140 0.9360 
1 1 1 7  4  49 o 18 6.60104e+01 7.14423e+00 1.17077e+02 225.160 -3.61981e+00 -3.64003e+00 0.00000e+00 0.00000e+00 1.74035e+01 225.160 9.96731e+01 45.160  0.8964 
1 1 1 7  4  50 o 13 6.04739e+01 7.44983e+00 5.80239e+01 85.150  2.10521e-01  2.48122e+00  0.00000e+00 0.00000e+00 4.65224e+01 85.150  1.15016e+01 265.150 0.7639 
1 1 1 7  4  51 o 14 6.65200e+01 6.64872e+00 9.34379e+01 143.993 -4.34961e+00 3.16100e+00  0.00000e+00 0.00000e+00 4.16740e+01 143.993 5.17638e+01 323.993 0.9014 
1 1 1 7  4  52 o 3  7.05304e+01 6.01625e+00 5.91707e+01 125.540 -1.85150e+00 2.59188e+00  0.00000e+00 0.00000e+00 7.10088e+01 125.540 1.18381e+01 125.540 0.8228 
1 1 1 7  4  53 f 0  1.14391e+02 4.62879e+00 1.44524e+02 72.821  4.87263e+00  1.57611e+01  0.00000e+00 0.00000e+00 1.03053e+02 72.821  4.14711e+01 252.821 0.9692 
1 1 1 7  4  54 o 11 1.31132e+02 3.73611e+00 1.26092e+02 41.026  1.17426e+01  1.02171e+01  0.00000e+00 0.00000e+00 1.55863e+02 41.026  2.97709e+01 41.026  0.9673 
1 1 1 7  4  55 o 18 1.13330e+02 4.28532e+00 1.17761e+02 279.588 2.62919e+00  -1.55652e+01 0.00000e+00 0.00000e+00 1.24891e+02 279.588 7.13073e+00 279.588 0.9678 
1 1 1 7  4  56 o 17 2.00718e+02 3.45246e+00 1.91160e+02 278.336 5.10947e+00  -3.48726e+01 0.00000e+00 0.00000e+00 2.44466e+02 278.336 5.33056e+01 278.336 0.9857 
1 1 1 7  4  57 f 0  9.15664e+01 4.82151e+00 1.27125e+02 40.327  1.19048e+01  1.01056e+01  0.00000e+00 0.00000e+00 6.69718e+01 40.327  6.01531e+01 220.327 0.9674 
1 1 1 7  4  58 o 9  1.65887e+02 3.55250e+00 1.54063e+02 208.420 -3.07700e+01 -1.66515e+01 0.00000e+00 0.00000e+00 2.02405e+02 208.420 4.83420e+01 208.420 0.9856 
1 1 1 7  4  59 o 6  7.33835e+01 5.40147e+00 3.57248e+01 2.722   4.09316e+00  1.94592e-01  0.00000e+00 0.00000e+00 1.02321e+02 2.722   6.65962e+01 2.722   0.8672 
1 1 1 7  4  60 o 4  1.09289e+02 4.08858e+00 6.29473e+01 201.558 -1.00865e+01 -3.98489e+00 0.00000e+00 0.00000e+00 1.61764e+02 201.558 9.88170e+01 201.558 0.9527 
1 1 1 7  4  61 o 5  9.55638e+01 4.52536e+00 8.70413e+01 319.883 1.11895e+01  -9.42820e+00 0.00000e+00 0.00000e+00 1.10988e+02 319.883 2.39469e+01 319.883 0.9652 
1 1 1 7  4  62 o 10 2.74520e+01 7.52752e+00 4.35048e+01 252.919 -5.67707e-01 -1.84752e+00 0.00000e+00 0.00000e+00 3.26283e+00 72.919  4.67676e+01 72.919  0.6864 
1 1 1 7  4  63 o 9  5.66235e+01 7.06979e+00 4.58825e+01 237.369 -2.70935e+00 -4.23152e+00 0.00000e+00 0.00000e+00 6.16359e+01 237.369 1.57534e+01 237.369 0.8939 
1 1 1 7  4  64 o 8  5.22791e+01 7.36940e+00 4.58947e+01 295.891 2.25674e+00  -4.64932e+00 0.00000e+00 0.00000e+00 5.31845e+01 295.891 7.28980e+00 295.891 0.8971 
1 1 1 7  4  65 o 15 3.27451e+01 8.38500e+00 6.69801e+01 197.321 -4.70565e+00 -1.46755e+00 0.00000e+00 0.00000e+00 5.63936e+00 17.321  7.26195e+01 17.321  0.8917 
1 1 1 7  4  66 o 15 4.58382e+01 7.47913e+00 5.82098e+01 320.972 4.86587e+00  -3.94424e+00 0.00000e+00 0.00000e+00 2.95254e+01 320.972 2.86843e+01 140.972 0.9163 
1 1 1 7  5  0  o 11 6.79458e+01 6.91972e+00 1.29206e+01 180.000 -6.53498e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.72946e+00 0.000   1.46500e+01 0.000   0.0653 
1 1 1 7  5  1  o 6  6.43688e+02 4.21192e+00 7.62657e+02 69.542  2.55445e+01  6.84741e+01  0.00000e+00 0.00000e+00 8.50772e+02 69.542  8.81152e+01 69.542  0.9931 
1 1 1 7  5  2  o 5  6.73620e+01 4.37765e+00 1.72784e+02 9.763   1.70111e+00  2.92696e-01  0.00000e+00 0.00000e+00 6.27545e+01 189.763 2.35538e+02 189.763 0.6473 
1 1 1 7  5  3  o 12 3.18119e+02 2.65742e+00 6.36274e+02 229.157 -1.95608e+01 -2.26267e+01 0.00000e+00 0.00000e+00 1.52805e+02 229.157 4.83470e+02 49.157  0.9831 
1 1 1 7  5  4  o 8  1.67319e+02 2.56735e+00 2.74288e+02 41.300  5.05413e+00  4.44024e+00  0.00000e+00 0.00000e+00 1.14962e+02 41.300  1.59327e+02 221.300 0.9224 
1 1 1 7  5  5  o 19 5.90582e+02 3.93003e+00 6.95002e+02 250.360 -1.99866e+01 -5.60063e+01 0.00000e+00 0.00000e+00 7.81431e+02 250.360 8.64296e+01 250.360 0.9916 
1 1 1 7  5  6  o 17 2.41500e+02 2.49262e+00 2.20766e+02 67.125  2.97168e+00  7.04361e+00  0.00000e+00 0.00000e+00 3.46502e+02 67.125  1.25737e+02 67.125  0.9321 
1 1 1 7  5  7  o 6  3.89579e+02 2.96313e+00 3.06881e+02 255.175 -4.32466e+00 -1.63397e+01 0.00000e+00 0.00000e+00 6.44848e+02 255.175 3.37966e+02 255.175 0.9700 
1 1 1 7  5  8  o 3  1.68433e+02 2.72078e+00 2.45919e+02 163.294 -6.17542e+00 1.85339e+00  0.00000e+00 0.00000e+00 1.43603e+02 163.294 1.02316e+02 343.294 0.9188 
1 1 1 7  5  9  o 7  8.23821e+01 4.15137e+00 1.74187e+02 132.439 -1.47867e+00 1.61714e+00  0.00000e+00 0.00000e+00 2.35882e+01 312.439 1.97775e+02 312.439 0.7268 
1 1 1 7  5  10 o 3  5.99250e+02 4.14910e+00 5.33058e+02 190.916 -4.70248e+01 -9.06892e+00 0.00000e+00 0.00000e+00 9.57118e+02 190.916 4.24060e+02 190.916 0.9895 
1 1 1 7  5  11 o 19 2.48046e+02 2.79647e+00 5.13446e+02 264.949 -1.90072e+00 -2.15045e+01 0.00000e+00 0.00000e+00 9.47561e+01 264.949 4.18690e+02 84.949  0.9766 
1 1 1 7  5  12 o 4  7.84875e+01 5.18449e+00 1.91390e+02 203.578 -2.27858e+00 -9.94441e-01 0.00000e+00 0.00000e+00 4.10815e+01 23.578  2.32472e+02 23.578  0.7635 
1 1 1 7  5  13 o 4  5.57586e+02 4.11427e+00 7.78443e+02 322.137 5.56845e+01  -4.32915e+01 0.00000e+00 0.00000e+00 6.08728e+02 322.137 1.69715e+02 142.137 0.9929 
1 1 1 7  5  14 o 8  1.51656e+02 3.05239e+00 9.89615e+01 141.355 -2.36138e+00 1.88813e+00  0.00000e+00 0.00000e+00 2.09122e+02 141.355 1.10161e+02 141.355 0.8117 
1 1 1 7  5  15 o 2  1.73857e+02 3.05537e+00 2.25909e+02 64.695  3.30541e+00  6.99094e+00  0.00000e+00 0.00000e+00 1.79505e+02 64.695  4.64045e+01 244.695 0.9329 
1 1 1 7  5  16 o 16 1.39323e+02 3.25598e+00 9.46770e+01 149.618 -1.93467e+00 1.13426e+00  0.00000e+00 0.00000e+00 1.60549e+02 149.618 6.58721e+01 149.618 0.7339 
1 1 1 7  5  17 o 13 3.68038e+01 8.33389e+00 1.80958e+02 102.346 -2.34081e-01 1.06944e+00  0.00000e+00 0.00000e+00 1.37018e+02 282.346 3.17977e+02 282.346 0.4790 
1 1 1 7  5  18 o 13 4.59007e+02 3.55611e+00 6.86780e+02 258.280 -1.01833e+01 -4.90870e+01 0.00000e+00 0.00000e+00 4.44211e+02 258.280 2.42569e+02 78.280  0.9900 
1 1 1 7  5  19 o 10 4.59861e+02 3.71945e+00 7.05104e+02 148.699 -4.30136e+01 2.61533e+01  0.00000e+00 0.00000e+00 4.26232e+02 148.699 2.78872e+02 328.699 0.9900 
1 1 1 7  5  20 o 16 1.97273e+02 2.96893e+00 1.76498e+02 337.447 5.83883e+00  -2.42487e+00 0.00000e+00 0.00000e+00 2.72323e+02 337.447 9.58248e+01 337.447 0.9171 
1 1 1 7  5  21 o 12 5.36924e+02 3.92956e+00 5.90201e+02 227.532 -3.77922e+01 -4.12898e+01 0.00000e+00 0.00000e+00 7.27512e+02 227.532 1.37311e+02 227.532 0.9910 
1 1 1 7  5  22 o 15 4.05091e+02 3.34245e+00 5.74152e+02 350.794 3.89129e+01  -6.30673e+00 0.00000e+00 0.00000e+00 4.14379e+02 350.794 1.59773e+02 170.794 0.9872 
1 1 1 7  5  23 o 7  2.93089e+02 3.03985e+00 3.19882e+02 81.538  1.95168e+00  1.31191e+01  0.00000e+00 0.00000e+00 3.75361e+02 81.538  5.54792e+01 81.538  0.9615 
1 1 1 7  5  24 o 16 4.39928e+02 3.62454e+00 6.35095e+02 133.562 -2.64210e+01 2.77813e+01  0.00000e+00 0.00000e+00 4.33803e+02 133.562 2.01291e+02 313.562 0.9869 
1 1 1 7  5  25 o 6  3.13348e+02 3.13124e+00 4.56668e+02 139.130 -1.76555e+01 1.52774e+01  0.00000e+00 0.00000e+00 2.96506e+02 139.130 1.60162e+02 319.130 0.9783 
1 1 1 7  5  26 o 6  2.16510e+02 3.50970e+00 1.61510e+02 6.980   4.66660e+00  5.71342e-01  0.00000e+00 0.00000e+00 3.08725e+02 6.980   1.47215e+02 6.980   0.8860 
1 1 1 7  5  27 o 2  4.66186e+02 3.50932e+00 5.02625e+02 171.240 -3.99937e+01 6.16296e+00  0.00000e+00 0.00000e+00 6.23413e+02 171.240 1.20788e+02 171.240 0.9876 
1 1 1 7  5  28 o 16 3.29077e+02 2.82018e+00 2.80162e+02 304.580 8.73820e+00  -1.26763e+01 0.00000e+00 0.00000e+00 4.96268e+02 304.580 2.16106e+02 304.580 0.9670 
1 1 1 7  5  29 o 9  4.97895e+02 3.94599e+00 6.40866e+02 11.724  4.84133e+01  1.00468e+01  0.00000e+00 0.00000e+00 5.58717e+02 11.724  8.21482e+01 191.724 0.9898 
1 1 1 7  5  30 o 4  1.08033e+02 3.98226e+00 1.11041e+02 252.961 -6.53320e-01 -2.13169e+00 0.00000e+00 0.00000e+00 8.09783e+01 252.961 3.00628e+01 72.961  0.7321 
1 1 1 7  5  31 o 3  6.80920e+01 6.21742e+00 2.31862e+02 105.044 -8.33755e-01 3.10210e+00  0.00000e+00 0.00000e+00 9.59109e+01 285.044 3.27772e+02 285.044 0.8245 
1 1 1 7  5  32 o 14 3.57154e+02 3.80499e+00 3.63003e+02 296.224 1.14362e+01  -2.32172e+01 0.00000e+00 0.00000e+00 4.82661e+02 296.224 1.19658e+02 296.224 0.9805 
1 1 1 7  5  33 o 8  2.26306e+02 3.89615e+00 2.04039e+02 97.811  -1.29548e+00 9.44316e+00  0.00000e+00 0.00000e+00 3.11506e+02 97.811  1.07468e+02 97.811  0.9460 
1 1 1 7  5  35 o 15 2.64267e+02 3.12163e+00 2.40426e+02 328.789 1.25271e+01  -7.58992e+00 0.00000e+00 0.00000e+00 3.70253e+02 328.789 1.29827e+02 328.789 0.9652 
1 1 1 7  5  36 o 4  1.06168e+02 4.69457e+00 1.00070e+02 345.973 2.62045e+00  -6.54652e-01 0.00000e+00 0.00000e+00 9.88953e+01 345.973 1.17441e+00 165.973 0.7852 
1 1 1 7  5  38 o 1  2.70456e+02 3.31355e+00 3.08364e+02 262.530 -3.23782e+00 -2.46953e+01 0.00000e+00 0.00000e+00 3.20026e+02 262.530 1.16623e+01 262.530 0.9797 
1 1 1 7  5  39 o 10 2.68940e+02 3.01175e+00 2.57704e+02 273.565 1.47183e+00  -2.36260e+01 0.00000e+00 0.00000e+00 3.64411e+02 273.565 1.06707e+02 273.565 0.9786 
1 1 1 7  5  40 o 15 1.85347e+02 8.20720e+00 1.87726e+02 117.722 -5.82212e+00 1.10792e+01  0.00000e+00 0.00000e+00 2.31062e+02 117.722 4.33363e+01 117.722 0.9592 
1 1 1 7  5  41 o 15 2.91045e+02 3.68639e+00 2.87556e+02 51.718  2.02836e+01  2.57005e+01  0.00000e+00 0.00000e+00 3.85137e+02 51.718  9.75805e+01 51.718  0.9846 
1 1 1 7  5  42 o 14 6.90099e+01 6.46001e+00 7.66103e+01 351.561 2.26662e+00  -3.36272e-01 0.00000e+00 0.00000e+00 4.28824e+01 351.561 3.37278e+01 171.561 0.7403 
1 1 1 7  5  43 o 15 2.24660e+02 3.08147e+00 2.01717e+02 133.029 -1.32360e+01 1.41794e+01  0.00000e+00 0.00000e+00 3.08170e+02 133.029 1.06453e+02 133.029 0.9739 
1 1 1 7  5  44 o 16 5.31796e+01 7.94589e+00 6.52145e+01 355.033 1.60686e+00  -1.39650e-01 0.00000e+00 0.00000e+00 1.16864e+01 355.033 5.35282e+01 175.033 0.6228 
1 1 1 7  5  45 o 5  9.40778e+01 4.48421e+00 7.55695e+01 160.324 -3.59331e+00 1.28487e+00  0.00000e+00 0.00000e+00 1.10699e+02 160.324 3.51296e+01 160.324 0.8561 
1 1 1 7  5  46 o 5  1.53087e+02 3.19329e+00 1.86549e+02 272.599 6.35696e-01  -1.40021e+01 0.00000e+00 0.00000e+00 1.53309e+02 272.599 3.32394e+01 92.599  0.9636 
1 1 1 7  5  47 o 11 1.68192e+02 2.99935e+00 1.77298e+02 198.084 -1.93934e+01 -6.33288e+00 0.00000e+00 0.00000e+00 1.99049e+02 198.084 2.17504e+01 198.084 0.9752 
1 1 1 7  5  48 o 15 6.22766e+01 5.54684e+00 7.64463e+01 108.706 -1.01876e+00 3.00874e+00  0.00000e+00 0.00000e+00 4.05688e+01 108.706 3.58775e+01 288.706 0.8222 
1 1 1 7  5  49 o 6  1.23503e+02 4.53997e+00 1.19344e+02 105.277 -2.60299e+00 9.53025e+00  0.00000e+00 0.00000e+00 1.47078e+02 105.277 2.77333e+01 105.277 0.9480 
1 1 1 7  5  50 o 5  5.14497e+01 8.51518e+00 1.28150e+02 139.628 -3.38537e+00 2.87827e+00  0.00000e+00 0.00000e+00 2.57156e+01 319.628 1.53866e+02 319.628 0.8786 
1 1 1 7  5  51 o 16 1.74827e+02 3.93781e+00 1.63160e+02 64.187  1.09107e+01  2.25564e+01  0.00000e+00 0.00000e+00 2.23314e+02 64.187  6.01542e+01 64.187  0.9798 
1 1 1 7  5  52 o 12 5.14014e+01 8.77383e+00 2.08716e+01 52.391  5.96619e-01  7.74476e-01  0.00000e+00 0.00000e+00 2.97437e+01 52.391  8.87204e+00 52.391  0.4384 
1 1 1 7  5  53 o 13 1.38978e+02 3.89038e+00 1.44606e+02 307.309 1.16497e+01  -1.52872e+01 0.00000e+00 0.00000e+00 1.57946e+02 307.309 1.33397e+01 307.309 0.9736 
1 1 1 7  5  54 o 12 3.68172e+01 8.14449e+00 5.42769e+01 204.354 -1.90954e+00 -8.64351e-01 0.00000e+00 0.00000e+00 4.14224e+00 204.354 5.01347e+01 24.354  0.7129 
1 1 1 7  5  56 o 8  1.52814e+02 3.31756e+00 1.67255e+02 244.318 -1.48843e+01 -3.09518e+01 0.00000e+00 0.00000e+00 1.64700e+02 244.318 2.55496e+00 64.318  0.9853 
1 1 1 7  5  57 o 18 8.40369e+01 4.83028e+00 8.88994e+01 54.452  5.53871e+00  7.75112e+00  0.00000e+00 0.00000e+00 8.55066e+01 54.452  3.39280e+00 234.452 0.9460 
1 1 1 7  5  58 o 18 3.04191e+01 8.26426e+00 1.55312e+01 272.895 3.12674e-02  -6.18344e-01 0.00000e+00 0.00000e+00 4.10006e+00 272.895 1.14311e+01 92.895  0.2956 
1 1 1 7  5  59 o 16 1.12998e+02 3.97380e+00 7.43674e+01 188.536 -1.31517e+01 -1.97405e+00 0.00000e+00 0.00000e+00 1.61654e+02 188.536 8.72863e+01 188.536 0.9616 
1 1 1 7  5  60 o 4  1.09058e+02 4.02179e+00 8.86647e+01 29.000  1.30091e+01  7.21117e+00  0.00000e+00 0.00000e+00 1.38937e+02 29.000  5.02727e+01 29.000  0.9658 
1 1 1 7  5  61 o 11 4.50650e+01 7.87042e+00 3.83284e+01 63.656  1.23485e+00  2.49374e+00  0.00000e+00 0.00000e+00 3.84500e+01 63.656  1.21632e-01 63.656  0.7925 
1 1 1 7  5  62 o 6  5.65223e+01 6.89476e+00 4.00359e+01 26.936  3.63682e+00  1.84791e+00  0.00000e+00 0.00000e+00 6.46919e+01 26.936  2.46561e+01 26.936  0.8665 
1 1 1 7  5  63 o 17 3.63145e+01 8.88422e+00 3.25501e+01 344.495 2.17915e+00  -6.04523e-01 0.00000e+00 0.00000e+00 2.43220e+01 344.495 8.22815e+00 164.495 0.7364 
1 1 1 7  5  64 o 8  5.27464e+01 9.71988e+00 5.12659e+01 99.660  -8.91741e-01 5.23882e+00  0.00000e+00 0.00000e+00 4.91674e+01 99.660  2.09852e+00 279.660 0.9002 
1 1 1 7  5  65 o 15 7.70887e+01 7.86988e+00 7.16909e+01 206.665 -1.17686e+01 -5.90995e+00 0.00000e+00 0.00000e+00 8.41779e+01 206.665 1.24870e+01 206.665 0.9612 
1 1 1 7  5  66 o 12 8.46515e+01 6.97407e+00 6.58247e+01 211.021 -1.13224e+01 -6.80887e+00 0.00000e+00 0.00000e+00 1.04394e+02 211.021 3.85692e+01 211.021 0.9614 
1 1 1 7  6  0  o 13 6.03938e+01 7.20513e+00 6.29178e+01 180.000 -2.93471e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.93568e+01 0.000   8.22746e+01 0.000   0.2853 
1 1 1 7  6  1  o 6  1.77597e+02 2.83305e+00 2.74280e+02 226.340 -5.20747e+00 -5.45699e+00 0.00000e+00 0.00000e+00 1.43738e+02 226.340 1.30542e+02 46.340  0.9311 
1 1 1 7  6  2  o 10 3.98866e+02 3.02757e+00 3.14107e+02 282.433 4.16329e+00  -1.88842e+01 0.00000e+00 0.00000e+00 6.67600e+02 282.433 3.53493e+02 282.433 0.9738 
1 1 1 7  6  3  o 16 5.82341e+02 3.90723e+00 6.75803e+02 155.672 -5.50083e+01 2.48700e+01  0.00000e+00 0.00000e+00 7.83500e+02 155.672 1.07697e+02 155.672 0.9917 
1 1 1 7  6  4  o 13 2.34205e+02 2.53086e+00 4.87543e+02 12.645  1.70028e+01  3.81465e+00  0.00000e+00 0.00000e+00 8.68662e+01 12.645  4.00677e+02 192.645 0.9709 
1 1 1 7  6  5  o 5  2.26642e+02 2.54249e+00 2.54350e+02 144.489 -7.09926e+00 5.06585e+00  0.00000e+00 0.00000e+00 2.84081e+02 144.489 2.97311e+01 144.489 0.9408 
1 1 1 7  6  6  o 17 1.76676e+02 2.82428e+00 3.02720e+02 160.788 -7.56050e+00 2.63463e+00  0.00000e+00 0.00000e+00 1.14355e+02 160.788 1.88365e+02 340.788 0.9353 
1 1 1 7  6  7  o 19 2.08820e+02 2.67401e+00 2.54506e+02 125.154 -5.20966e+00 7.39787e+00  0.00000e+00 0.00000e+00 2.42238e+02 125.154 1.22686e+01 305.154 0.9430 
1 1 1 7  6  8  o 6  2.00260e+02 3.32693e+00 3.12753e+02 297.809 4.90569e+00  -9.30082e+00 0.00000e+00 0.00000e+00 1.67452e+02 297.809 1.45301e+02 117.809 0.9512 
1 1 1 7  6  9  o 1  8.26578e+01 4.01497e+00 1.85364e+02 197.418 -2.41708e+00 -7.58312e-01 0.00000e+00 0.00000e+00 2.53301e+01 17.418  2.10694e+02 17.418  0.7686 
1 1 1 7  6  10 o 1  5.57210e+02 3.79066e+00 8.66896e+02 220.029 -6.02508e+01 -5.06084e+01 0.00000e+00 0.00000e+00 5.26683e+02 220.029 3.40213e+02 40.029  0.9936 
1 1 1 7  6  11 o 15 4.93188e+02 3.47179e+00 6.20334e+02 326.399 5.16443e+01  -3.43136e+01 0.00000e+00 0.00000e+00 6.09875e+02 326.399 1.04589e+01 146.399 0.9919 
1 1 1 7  6  12 o 12 2.07379e+02 2.72099e+00 2.28883e+02 346.227 9.18378e+00  -2.25110e+00 0.00000e+00 0.00000e+00 2.63738e+02 346.227 3.48545e+01 346.227 0.9455 
1 1 1 7  6  13 o 5  9.30393e+01 4.19843e+00 2.14042e+02 238.536 -2.02659e+00 -3.31180e+00 0.00000e+00 0.00000e+00 1.35094e+01 58.536  2.27551e+02 58.536  0.8589 
1 1 1 7  6  14 o 16 3.73922e+02 3.03728e+00 3.92624e+02 173.558 -2.47188e+01 2.79082e+00  0.00000e+00 0.00000e+00 5.25628e+02 173.558 1.33004e+02 173.558 0.9797 
1 1 1 7  6  15 o 10 9.64354e+01 4.35199e+00 1.28393e+02 49.403  1.33738e+00  1.56051e+00  0.00000e+00 0.00000e+00 4.22070e+01 49.403  8.61857e+01 229.403 0.7066 
1 1 1 7  6  16 f 0  1.43832e+02 3.12411e+00 1.50133e+02 159.958 -3.23344e+00 1.17953e+00  0.00000e+00 0.00000e+00 1.51219e+02 159.958 1.08623e+00 159.958 0.8380 
1 1 1 7  6  17 o 19 1.67780e+02 4.29360e+00 3.01997e+02 177.626 -7.88692e+00 3.26964e-01  0.00000e+00 0.00000e+00 8.93728e+01 177.626 2.12624e+02 357.626 0.9343 
1 1 1 7  6  18 o 8  3.77776e+02 3.59731e+00 5.36547e+02 39.155  2.87132e+01  2.33801e+01  0.00000e+00 0.00000e+00 3.92384e+02 39.155  1.44163e+02 219.155 0.9864 
1 1 1 7  6  19 o 17 4.28566e+02 3.63487e+00 6.02536e+02 190.125 -4.53447e+01 -8.09719e+00 0.00000e+00 0.00000e+00 4.52463e+02 190.125 1.50073e+02 10.125  0.9891 
1 1 1 7  6  20 o 17 1.59857e+02 3.52894e+00 3.32839e+02 340.052 8.58061e+00  -3.11426e+00 0.00000e+00 0.00000e+00 4.19224e+01 340.052 2.90917e+02 160.052 0.9435 
1 1 1 7  6  21 o 16 1.23908e+02 4.14839e+00 1.06303e+02 191.873 -2.14992e+00 -4.52002e-01 0.00000e+00 0.00000e+00 1.17309e+02 191.873 1.10068e+01 191.873 0.7276 
1 1 1 7  6  22 o 16 1.67614e+02 3.11378e+00 2.43192e+02 323.219 4.55890e+00  -3.40820e+00 0.00000e+00 0.00000e+00 1.33298e+02 323.219 1.09894e+02 143.219 0.9073 
1 1 1 7  6  23 o 11 1.01453e+02 4.22404e+00 2.19629e+02 155.001 -3.35153e+00 1.56279e+00  0.00000e+00 0.00000e+00 6.34839e+00 335.001 2.25978e+02 335.001 0.8508 
1 1 1 7  6  24 o 19 4.48889e+02 3.64756e+00 6.80082e+02 206.032 -4.43223e+01 -2.16482e+01 0.00000e+00 0.00000e+00 4.15550e+02 206.032 2.64532e+02 26.032  0.9898 
1 1 1 7  6  25 o 14 9.14830e+02 5.99946e+00 1.14914e+03 349.359 1.37198e+02  -2.57765e+01 0.00000e+00 0.00000e+00 1.09388e+03 349.359 5.52618e+01 169.359 0.9964 
1 1 1 7  6  26 o 9  5.64782e+02 4.17356e+00 7.07561e+02 0.891   6.84014e+01  1.06426e+00  0.00000e+00 0.00000e+00 6.68960e+02 0.891   3.86009e+01 180.891 0.9927 
1 1 1 7  6  27 o 2  2.34533e+02 3.83502e+00 3.36422e+02 59.890  6.31258e+00  1.08853e+01  0.00000e+00 0.00000e+00 2.14781e+02 59.890  1.21641e+02 239.890 0.9594 
1 1 1 7  6  28 o 2  1.72790e+02 3.37181e+00 3.20976e+02 175.691 -8.53766e+00 6.43332e-01  0.00000e+00 0.00000e+00 7.58136e+01 175.691 2.45162e+02 355.691 0.9396 
1 1 1 7  6  29 o 11 8.01221e+02 5.76852e+00 1.09382e+03 134.897 -1.14157e+02 1.14569e+02  0.00000e+00 0.00000e+00 8.53401e+02 134.897 2.40415e+02 314.897 0.9969 
1 1 1 7  6  30 o 17 2.69852e+02 3.26481e+00 2.84036e+02 222.608 -1.15440e+01 -1.06182e+01 0.00000e+00 0.00000e+00 3.50877e+02 222.608 6.68411e+01 222.608 0.9676 
1 1 1 7  6  31 o 2  1.44787e+02 4.33924e+00 1.57880e+02 222.163 -3.37728e+00 -3.05840e+00 0.00000e+00 0.00000e+00 1.51820e+02 222.163 6.05929e+00 42.163  0.8820 
1 1 1 7  6  32 o 11 1.22844e+02 4.07326e+00 2.08534e+02 356.685 5.28193e+00  -3.05976e-01 0.00000e+00 0.00000e+00 5.87910e+01 356.685 1.49743e+02 176.685 0.8997 
1 1 1 7  6  34 o 7  3.01600e+02 3.13792e+00 2.99520e+02 205.573 -1.88394e+01 -9.01532e+00 0.00000e+00 0.00000e+00 4.08232e+02 205.573 1.08713e+02 205.573 0.9758 
1 1 1 7  6  35 o 9  5.38093e+02 4.11084e+00 6.01639e+02 313.942 5.74283e+01  -5.95886e+01 0.00000e+00 0.00000e+00 6.80786e+02 313.942 7.91469e+01 313.942 0.9939 
1 1 1 7  6  37 o 2  2.06543e+02 3.34595e+00 1.37381e+02 166.718 -8.29428e+00 1.95789e+00  0.00000e+00 0.00000e+00 3.24956e+02 166.718 1.87575e+02 166.718 0.9394 
1 1 1 7  6  38 o 1  2.82099e+02 3.26635e+00 2.43219e+02 328.134 2.00200e+01  -1.24450e+01 0.00000e+00 0.00000e+00 4.12471e+02 328.134 1.69252e+02 328.134 0.9786 
1 1 1 7  6  39 o 3  2.89624e+02 4.85861e+00 3.65168e+02 121.619 -1.76029e+01 2.85915e+01  0.00000e+00 0.00000e+00 3.10196e+02 121.619 5.49721e+01 301.619 0.9850 
1 1 1 7  6  40 f 0  3.67818e+02 3.52721e+00 4.03106e+02 277.528 7.66361e+00  -5.79945e+01 0.00000e+00 0.00000e+00 4.57251e+02 277.528 5.41449e+01 277.528 0.9914 
1 1 1 7  6  41 o 4  2.35057e+02 3.40486e+00 1.34122e+02 290.800 4.96922e+00  -1.30813e+01 0.00000e+00 0.00000e+00 3.98394e+02 290.800 2.64272e+02 290.800 0.9636 
1 1 1 7  6  42 o 16 1.70492e+02 3.67015e+00 2.21607e+02 183.866 -1.62534e+01 -1.09825e+00 0.00000e+00 0.00000e+00 1.65345e+02 183.866 5.62614e+01 3.866   0.9688 
1 1 1 7  6  43 o 17 1.26312e+02 4.08082e+00 1.63228e+02 264.133 -8.95575e-01 -8.71539e+00 0.00000e+00 0.00000e+00 1.14227e+02 264.133 4.90013e+01 84.133  0.9411 
1 1 1 7  6  44 o 2  2.03519e+02 3.30264e+00 2.33383e+02 279.294 4.18395e+00  -2.55658e+01 0.00000e+00 0.00000e+00 2.30651e+02 279.294 2.73269e+00 99.294  0.9805 
1 1 1 7  6  45 o 14 1.39643e+02 3.68839e+00 1.51462e+02 282.159 2.20644e+00  -1.02409e+01 0.00000e+00 0.00000e+00 1.56168e+02 282.159 4.70581e+00 282.159 0.9510 
1 1 1 7  6  46 o 9  1.34842e+02 3.68329e+00 1.47269e+02 57.084  7.06668e+00  1.09168e+01  0.00000e+00 0.00000e+00 1.51653e+02 57.084  4.38413e+00 57.084  0.9607 
1 1 1 7  6  47 o 7  1.35826e+02 3.63536e+00 1.30536e+02 133.709 -8.38177e+00 8.76829e+00  0.00000e+00 0.00000e+00 1.68456e+02 133.709 3.79199e+01 133.709 0.9578 
1 1 1 7  6  48 o 15 1.37223e+02 3.42502e+00 1.95765e+02 89.293  2.26452e-01  1.83469e+01  0.00000e+00 0.00000e+00 1.09624e+02 89.293  8.61410e+01 269.293 0.9724 
1 1 1 7  6  49 o 1  8.15354e+01 4.89915e+00 1.38276e+02 242.627 -3.67349e+00 -7.09497e+00 0.00000e+00 0.00000e+00 3.55083e+01 242.627 1.02767e+02 62.627  0.9351 
1 1 1 7  6  50 f 0  9.05138e+01 4.35942e+00 1.41691e+02 97.416  -1.46734e+00 1.12732e+01  0.00000e+00 0.00000e+00 5.44753e+01 97.416  8.72158e+01 277.416 0.9550 
1 1 1 7  6  51 o 12 8.10610e+01 6.99435e+00 7.01090e+01 27.536  3.80378e+00  1.98319e+00  0.00000e+00 0.00000e+00 8.99439e+01 27.536  1.98349e+01 27.536  0.8738 
1 1 1 7  6  52 o 17 1.02114e+02 4.55364e+00 1.12822e+02 305.375 6.66507e+00  -9.38733e+00 0.00000e+00 0.00000e+00 1.06680e+02 305.375 6.14226e+00 125.375 0.9555 
1 1 1 7  6  53 o 16 5.07991e+01 6.12607e+00 6.58669e+01 98.630  -5.52162e-01 3.63803e+00  0.00000e+00 0.00000e+00 3.08267e+01 98.630  3.50401e+01 278.630 0.8500 
1 1 1 7  6  54 o 13 3.51781e+01 1.02836e+01 1.65794e+01 168.864 -6.08120e-01 1.19705e-01  0.00000e+00 0.00000e+00 6.62467e+00 168.864 9.95476e+00 348.864 0.2959 
1 1 1 7  6  55 o 19 5.76899e+01 6.92288e+00 3.26983e+01 340.003 2.28896e+00  -8.32981e-01 0.00000e+00 0.00000e+00 6.43002e+01 340.003 3.16019e+01 340.003 0.7578 
1 1 1 7  6  56 o 14 8.72262e+01 4.68770e+00 1.09596e+02 172.789 -1.27888e+01 1.61799e+00  0.00000e+00 0.00000e+00 7.53779e+01 172.789 3.42178e+01 352.789 0.9604 
1 1 1 7  6  57 o 14 1.27716e+02 3.66899e+00 1.12874e+02 325.114 1.62323e+01  -1.13181e+01 0.00000e+00 0.00000e+00 1.60576e+02 325.114 4.77023e+01 325.114 0.9744 
1 1 1 7  6  58 o 12 7.53695e+01 5.43234e+00 7.26922e+01 127.199 -5.19643e+00 6.84637e+00  0.00000e+00 0.00000e+00 8.21947e+01 127.199 9.50248e+00 127.199 0.9399 
1 1 1 7  6  59 o 5  1.30356e+02 3.65176e+00 1.60527e+02 79.806  5.81448e+00  3.23347e+01  0.00000e+00 0.00000e+00 1.18708e+02 79.806  4.18187e+01 259.806 0.9847 
1 1 1 7  6  60 o 13 1.34130e+02 4.61532e+00 1.51701e+02 76.804  8.20219e+00  3.49810e+01  0.00000e+00 0.00000e+00 1.34531e+02 76.804  1.71698e+01 256.804 0.9860 
1 1 1 7  6  61 o 5  6.72389e+01 8.41468e+00 4.40228e+01 130.847 -3.07266e+00 3.55383e+00  0.00000e+00 0.00000e+00 8.42239e+01 130.847 4.02010e+01 130.847 0.8859 
1 1 1 7  6  62 o 17 2.80551e+01 8.86251e+00 2.21224e+01 354.186 1.13319e+00  -1.15382e-01 0.00000e+00 0.00000e+00 7.52884e+00 354.186 1.45935e+01 174.186 0.4935 
1 1 1 7  6  63 o 1  8.43046e+01 7.08483e+00 5.65345e+01 307.279 6.31211e+00  -8.29224e+00 0.00000e+00 0.00000e+00 1.14200e+02 307.279 5.76650e+01 307.279 0.9507 
1 1 1 7  6  64 o 18 2.80555e+01 8.92599e+00 1.61710e+01 131.620 -6.65815e-01 7.49391e-01  0.00000e+00 0.00000e+00 1.04119e+01 131.620 5.75916e+00 311.620 0.4473 
1 1 1 7  6  65 o 11 4.70411e+01 1.05207e+01 4.02894e+01 195.867 -3.78936e+00 -1.07710e+00 0.00000e+00 0.00000e+00 4.50541e+01 195.867 4.76463e+00 195.867 0.8612 
1 1 1 7  7  0  o 10 1.46649e+02 7.20518e+00 2.85598e+02 180.000 -1.73523e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.33987e+01 180.000 2.22199e+02 0.000   0.9397 
1 1 1 7  7  1  o 13 1.54080e+02 3.98327e+00 2.43571e+02 90.000  0.00000e+00  3.11053e+00  0.00000e+00 0.00000e+00 1.45087e+02 90.000  9.84842e+01 270.000 0.9960 
1 1 1 7  7  2  o 17 2.05429e+02 3.68571e+00 1.91717e+02 180.000 -3.25714e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.26924e+02 180.000 1.35208e+02 180.000 0.9970 
1 1 1 7  7  3  o 6  1.88724e+02 3.71877e+00 1.93137e+02 90.000  -2.62473e-07 3.00234e+00  0.00000e+00 0.00000e+00 2.82289e+02 90.000  8.91517e+01 90.000  0.9951 
1 1 1 7  7  4  o 15 1.32061e+02 4.43466e+00 3.20678e+02 0.000   3.46696e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.28975e+01 0.000   3.07781e+02 180.000 0.9981 
1 1 1 7  7  5  o 7  4.72000e+02 4.79746e+00 5.72122e+02 270.000 1.91863e-06  -2.19466e+01 0.00000e+00 0.00000e+00 6.21976e+02 270.000 4.98544e+01 270.000 1.0000 
1 1 1 7  7  6  o 15 2.56041e+02 3.78198e+00 4.15605e+02 0.000   1.08503e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.31839e+02 0.000   1.83766e+02 180.000 1.0000 
1 1 1 7  7  7  o 6  2.82025e+01 1.38050e+01 1.16225e+02 270.000 2.82785e-08  -3.23468e-01 0.00000e+00 0.00000e+00 9.39420e+01 90.000  2.10167e+02 90.000  0.3126 
1 1 1 7  7  8  o 9  5.08486e+02 5.06767e+00 5.85172e+02 0.000   2.96301e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.99070e+02 0.000   1.13899e+02 0.000   1.0000 
1 1 1 7  7  9  o 3  5.07848e+02 5.73392e+00 6.51200e+02 90.000  -2.83967e-06 3.24820e+01  0.00000e+00 0.00000e+00 6.30492e+02 90.000  2.07081e+01 270.000 1.0000 
1 1 1 7  7  10 f 0  4.00885e+02 4.37919e+00 7.56892e+02 180.000 -2.60252e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.54019e+02 180.000 5.02873e+02 0.000   1.0000 
1 1 1 7  7  11 o 10 2.11170e+02 3.76486e+00 2.56719e+02 90.000  0.00000e+00  4.58826e+00  0.00000e+00 0.00000e+00 2.75197e+02 90.000  1.84778e+01 90.000  0.9998 
1 1 1 7  7  12 o 12 6.81860e+02 6.35088e+00 7.26076e+02 180.000 -4.11852e+01 0.00000e+00  0.00000e+00 0.00000e+00 9.90111e+02 180.000 2.64035e+02 180.000 1.0000 
1 1 1 7  7  13 o 8  4.96503e+02 5.00356e+00 4.71804e+02 90.000  0.00000e+00  1.87780e+01  0.00000e+00 0.00000e+00 7.76505e+02 90.000  3.04701e+02 90.000  1.0000 
1 1 1 7  7  14 o 2  3.09796e+02 4.63452e+00 5.53632e+02 0.000   1.35160e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.24352e+02 0.000   3.29280e+02 180.000 1.0000 
1 1 1 7  7  15 o 10 3.13523e+02 3.96475e+00 4.01572e+02 90.000  5.97084e-16  9.75111e+00  0.00000e+00 0.00000e+00 3.84786e+02 90.000  1.67856e+01 270.000 1.0000 
1 1 1 7  7  16 o 8  2.10022e+02 3.83380e+00 2.55206e+02 180.000 -4.87264e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.70792e+02 180.000 1.55855e+01 180.000 0.9999 
1 1 1 7  7  17 o 6  3.06141e+02 4.21149e+00 2.58791e+02 90.000  0.00000e+00  7.05184e+00  0.00000e+00 0.00000e+00 5.06935e+02 90.000  2.48144e+02 90.000  1.0000 
1 1 1 7  7  18 o 12 2.40265e+01 1.35495e+01 9.75447e+00 0.000   1.97482e-02  0.00000e+00  0.00000e+00 0.00000e+00 8.56963e+00 180.000 1.83241e+01 180.000 0.0197 
1 1 1 7  7  19 o 5  3.34264e+02 6.55109e+00 5.09438e+02 270.000 1.24267e-06  -1.42145e+01 0.00000e+00 0.00000e+00 3.24038e+02 270.000 1.85400e+02 90.000  1.0000 
1 1 1 7  7  20 o 9  3.70419e+02 5.58362e+00 3.38832e+02 0.000   8.79319e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.83243e+02 0.000   2.44411e+02 0.000   1.0000 
1 1 1 7  7  21 o 3  5.44614e+02 5.80810e+00 7.12771e+02 270.000 -1.98647e-15 -3.24416e+01 0.00000e+00 0.00000e+00 6.40528e+02 270.000 7.22432e+01 90.000  1.0000 
1 1 1 7  7  22 o 17 6.32405e+02 6.02273e+00 6.63625e+02 180.000 -3.41844e+01 0.00000e+00  0.00000e+00 0.00000e+00 9.04912e+02 180.000 2.41287e+02 180.000 1.0000 
1 1 1 7  7  23 o 13 2.51255e+02 4.48477e+00 3.56788e+02 90.000  0.00000e+00  6.04844e+00  0.00000e+00 0.00000e+00 2.65177e+02 90.000  9.16108e+01 270.000 1.0000 
1 1 1 7  7  24 o 7  7.73694e+02 8.29753e+00 1.08449e+03 0.000   7.26063e+01  0.00000e+00  0.00000e+00 0.00000e+00 8.26885e+02 0.000   2.57602e+02 180.000 1.0000 
1 1 1 7  7  25 o 16 1.26151e+02 7.72334e+00 1.52378e+02 90.000  -1.41185e-07 1.61497e+00  0.00000e+00 0.00000e+00 1.34944e+02 90.000  1.74338e+01 270.000 0.9239 
1 1 1 7  7  26 o 1  1.91550e+01 1.29373e+01 1.62971e+02 0.000   2.42151e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.51779e+02 180.000 3.14750e+02 180.000 0.2375 
1 1 1 7  7  27 o 9  1.58919e+02 7.75418e+00 1.10371e+02 90.000  -1.44554e-07 1.65351e+00  0.00000e+00 0.00000e+00 2.52089e+02 90.000  1.41718e+02 90.000  0.9293 
1 1 1 7  7  28 o 10 8.63690e+01 1.12372e+01 2.24782e+02 180.000 -2.00158e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.09015e+01 0.000   2.45684e+02 0.000   0.9641 
1 1 1 7  7  29 f 0  2.37934e+02 5.14122e+00 2.05114e+02 90.000  -4.36191e-07 4.98944e+00  0.00000e+00 0.00000e+00 3.75955e+02 90.000  1.70841e+02 90.000  0.9999 
1 1 1 7  7  30 o 11 3.48274e+02 4.94746e+00 3.49840e+02 180.000 -1.20689e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.98611e+02 180.000 1.48771e+02 180.000 1.0000 
1 1 1 7  7  31 o 6  7.05255e+01 9.53049e+00 8.89375e+00 270.000 5.58962e-09  -6.39378e-02 0.00000e+00 0.00000e+00 2.04773e+00 270.000 6.84603e+00 90.000  0.0639 
1 1 1 7  7  32 o 19 2.52421e+01 1.50232e+01 8.79572e+01 0.000   2.39728e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.35686e+01 180.000 1.61526e+02 180.000 0.2352 
1 1 1 7  7  33 o 1  8.44072e+01 8.04359e+00 3.83589e+01 270.000 3.23973e-08  -3.70582e-01 0.00000e+00 0.00000e+00 3.39451e+01 270.000 4.41378e+00 90.000  0.3545 
1 1 1 7  7  34 o 2  7.83152e+01 9.14175e+00 6.72120e+01 180.000 -6.66124e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.26874e+01 180.000 2.45247e+01 0.000   0.5824 
1 1 1 7  7  36 o 14 7.91366e+02 7.82153e+00 7.85320e+02 0.000   9.26787e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.10992e+03 0.000   3.24602e+02 0.000   1.0000 
1 1 1 7  7  37 o 1  1.53701e+02 7.87145e+00 1.12767e+02 90.000  -2.58410e-07 2.95586e+00  0.00000e+00 0.00000e+00 2.52191e+02 90.000  1.39424e+02 90.000  0.9946 
1 1 1 7  7  39 o 9  3.09963e+02 4.70879e+00 3.13173e+02 270.000 1.67996e-06  -1.92165e+01 0.00000e+00 0.00000e+00 4.21986e+02 270.000 1.08812e+02 270.000 1.0000 
1 1 1 7  7  40 o 11 1.91941e+02 4.96040e+00 2.33016e+02 0.000   9.95985e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.20673e+02 0.000   1.23429e+01 180.000 1.0000 
1 1 1 7  7  41 o 1  4.63656e+01 1.62030e+01 2.64616e+00 270.000 2.19103e-09  -2.50625e-02 0.00000e+00 0.00000e+00 9.03890e-02 270.000 2.55577e+00 90.000  0.0251 
1 1 1 7  7  42 o 9  3.02314e+02 4.44139e+00 4.03769e+02 180.000 -2.61594e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.05772e+02 180.000 9.79976e+01 0.000   1.0000 
1 1 1 7  7  43 o 11 2.75875e+01 1.55133e+01 8.98631e+01 270.000 5.55543e-08  -6.35468e-01 0.00000e+00 0.00000e+00 5.36200e+01 90.000  1.43483e+02 90.000  0.5618 
1 1 1 7  7  44 o 17 8.55716e+01 8.21790e+00 6.15670e+01 0.000   1.29816e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.10127e+02 0.000   4.85600e+01 0.000   0.8612 
1 1 1 7  7  45 o 9  3.32289e+02 4.68223e+00 2.77689e+02 270.000 -1.86698e-15 -3.04901e+01 0.00000e+00 0.00000e+00 4.93474e+02 270.000 2.15785e+02 270.000 1.0000 
1 1 1 7  7  46 o 17 1.02520e+02 6.61588e+00 7.00309e+01 0.000   2.45796e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.63513e+02 0.000   9.34825e+01 0.000   0.9854 
1 1 1 7  7  47 o 9  2.39025e+02 4.49280e+00 3.11579e+02 270.000 2.24491e-06  -2.56787e+01 0.00000e+00 0.00000e+00 2.38756e+02 270.000 7.28230e+01 90.000  1.0000 
1 1 1 7  7  48 o 18 1.93687e+01 1.26835e+01 6.31393e+00 0.000   4.28021e-02  0.00000e+00  0.00000e+00 0.00000e+00 4.41414e+00 180.000 1.07281e+01 180.000 0.0428 
1 1 1 7  7  49 o 5  2.34880e+02 4.86775e+00 2.15075e+02 90.000  1.39367e-15  2.27603e+01  0.00000e+00 0.00000e+00 3.21254e+02 90.000  1.06179e+02 90.000  1.0000 
1 1 1 7  7  50 o 19 2.01485e+02 4.42215e+00 1.86552e+02 0.000   1.48219e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.71562e+02 0.000   8.50095e+01 0.000   1.0000 
1 1 1 7  7  51 o 7  9.57064e+01 1.11572e+01 8.57846e+01 270.000 3.45866e-07  -3.95625e+00 0.00000e+00 0.00000e+00 1.30717e+02 270.000 4.49328e+01 270.000 0.9993 
1 1 1 7  7  52 o 8  1.56099e+01 1.06511e+01 7.21793e+01 180.000 -5.13230e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.55577e+01 0.000   1.27737e+02 0.000   0.4725 
1 1 1 7  7  53 o 15 1.73156e+01 1.13927e+01 6.04329e+00 270.000 0.00000e+00  -5.90056e-02 0.00000e+00 0.00000e+00 3.75364e+00 90.000  9.79693e+00 90.000  0.0589 
1 1 1 7  7  54 o 16 1.80222e+02 3.99661e+00 2.13525e+02 180.000 -1.80042e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.88957e+02 180.000 2.45683e+01 0.000   1.0000 
1 1 1 7  7  55 o 14 2.64265e+01 1.37477e+01 3.51920e+01 90.000  3.49906e-17  5.71440e-01  0.00000e+00 0.00000e+00 4.85761e+00 270.000 4.00496e+01 270.000 0.5164 
1 1 1 7  7  56 o 8  1.50043e+02 4.05167e+00 1.14963e+02 0.000   1.20813e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.16955e+02 0.000   1.01991e+02 0.000   1.0000 
1 1 1 7  7  57 o 13 1.37669e+01 9.57028e+00 3.35982e+01 90.000  1.91500e-17  3.12743e-01  0.00000e+00 0.00000e+00 2.44174e+01 270.000 5.80156e+01 270.000 0.3029 
1 1 1 7  7  58 o 10 1.60116e+02 3.71317e+00 1.72947e+02 180.000 -2.26077e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.77789e+02 180.000 4.84150e+00 180.000 1.0000 
1 1 1 7  7  59 f 0  1.09943e+02 7.23837e+00 1.88700e+01 90.000  -1.60650e-07 1.83762e+00  0.00000e+00 0.00000e+00 2.08904e+02 90.000  1.90034e+02 90.000  0.9506 
1 1 1 7  7  60 o 19 4.46590e+01 1.71935e+01 6.70806e+01 180.000 -2.12048e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.70063e+01 180.000 4.00743e+01 0.000   0.9716 
1 1 1 7  7  61 o 19 5.17636e+01 1.72101e+01 3.29529e+01 270.000 1.12533e-07  -1.28723e+00 0.00000e+00 0.00000e+00 6.28924e+01 270.000 2.99395e+01 270.000 0.8584 
1 1 1 7  7  62 o 1  2.32833e+01 1.49049e+01 2.53162e+01 0.000   5.29353e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.09269e+00 180.000 2.64089e+01 180.000 0.4849 
1 1 1 7  7  63 o 14 3.09645e+01 1.77058e+01 3.36944e+01 90.000  -7.93336e-08 9.07470e-01  0.00000e+00 0.00000e+00 1.38782e+01 90.000  1.98162e+01 270.000 0.7199 
1 1 1 7  7  64 o 14 2.15980e+01 1.49014e+01 4.40530e+01 0.000   1.01011e+00  0.00000e+00  0.00000e+00 0.00000e+00 8.94831e+00 180.000 5.30013e+01 180.000 0.7658 
1 1 1 7  7  65 o 19 6.29811e+01 1.92829e+01 4.22591e+01 90.000  -2.26236e-07 2.58784e+00  0.00000e+00 0.00000e+00 8.91772e+01 90.000  4.69182e+01 90.000  0.9888 
1 1 1 8  0  0  o 15 6.07189e+02 8.03017e+00 5.10552e+02 180.000 -9.32814e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.01980e+03 180.000 5.09248e+02 180.000 1.0000 
1 1 1 8  0  1  o 6  2.19080e+02 3.59972e+00 2.47191e+02 225.000 -2.30429e+00 -2.30429e+00 0.00000e+00 0.00000e+00 3.03324e+02 225.000 5.61329e+01 225.000 0.9970 
1 1 1 8  0  2  f 0  1.71319e+01 1.11722e+01 9.14358e+01 270.000 8.13361e-09  -9.30377e-02 0.00000e+00 0.00000e+00 8.74307e+01 90.000  1.78867e+02 90.000  0.0928 
1 1 1 8  0  3  o 14 3.19839e+02 4.08575e+00 5.91105e+02 135.000 -7.94357e+00 7.94357e+00  0.00000e+00 0.00000e+00 2.14701e+02 135.000 3.76404e+02 315.000 1.0000 
1 1 1 8  0  4  o 4  3.82988e+02 4.44473e+00 4.70660e+02 0.000   1.05963e+01  0.00000e+00  0.00000e+00 0.00000e+00 4.93952e+02 0.000   2.32912e+01 0.000   1.0000 
1 1 1 8  0  5  o 17 5.90367e+02 5.94096e+00 5.78055e+02 225.000 -1.39835e+01 -1.39835e+01 0.00000e+00 0.00000e+00 9.08296e+02 225.000 3.30241e+02 225.000 1.0000 
1 1 1 8  0  6  o 19 1.71281e+02 4.12095e+00 1.99847e+02 90.000  0.00000e+00  1.95545e+00  0.00000e+00 0.00000e+00 2.14256e+02 90.000  1.44092e+01 90.000  0.9607 
1 1 1 8  0  7  o 19 1.18337e+02 4.57585e+00 1.78814e+01 135.000 -8.39479e-02 8.39479e-02  0.00000e+00 0.00000e+00 1.72878e+01 135.000 5.93652e-01 315.000 0.1182 
1 1 1 8  0  8  o 15 1.45025e+02 4.06950e+00 2.62553e+02 0.000   2.83724e+00  0.00000e+00  0.00000e+00 0.00000e+00 9.94662e+01 0.000   1.63086e+02 180.000 0.9932 
1 1 1 8  0  9  o 7  2.21012e+02 4.31264e+00 1.72631e+02 225.000 -1.97008e+00 -1.97008e+00 0.00000e+00 0.00000e+00 3.78257e+02 225.000 2.05626e+02 225.000 0.9924 
1 1 1 8  0  10 o 15 9.63655e+01 5.37508e+00 3.12378e+02 270.000 0.00000e+00  -2.15028e+00 0.00000e+00 0.00000e+00 7.70165e+01 90.000  3.89395e+02 90.000  0.9732 
1 1 1 8  0  11 o 9  1.03502e+02 5.17122e+00 1.25739e+02 315.000 7.19077e-01  -7.19077e-01 0.00000e+00 0.00000e+00 7.37215e+01 315.000 5.20174e+01 135.000 0.7686 
1 1 1 8  0  12 o 13 8.81091e+01 6.62996e+00 1.65089e+02 180.000 -1.10810e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.22148e+01 180.000 1.52874e+02 0.000   0.8034 
1 1 1 8  0  13 o 19 7.08757e+01 7.13950e+00 2.62273e+02 225.000 -9.76821e-01 -9.76822e-01 0.00000e+00 0.00000e+00 1.05992e+02 45.000  3.68265e+02 45.000  0.8813 
1 1 1 8  0  14 o 17 3.07042e+02 3.84789e+00 3.01229e+02 270.000 0.00000e+00  -7.74395e+00 0.00000e+00 0.00000e+00 4.66120e+02 270.000 1.64890e+02 270.000 1.0000 
1 1 1 8  0  15 o 8  2.76975e+02 4.11025e+00 5.08984e+02 135.000 -8.14340e+00 8.14340e+00  0.00000e+00 0.00000e+00 1.82357e+02 135.000 3.26627e+02 315.000 1.0000 
1 1 1 8  0  16 o 18 5.80902e+01 1.10761e+01 2.78175e+01 180.000 -1.60764e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.73700e+00 0.000   3.25545e+01 0.000   0.1594 
1 1 1 8  0  17 f 0  3.87603e+02 4.95570e+00 5.00986e+02 225.000 -1.34701e+01 -1.34701e+01 0.00000e+00 0.00000e+00 4.63820e+02 225.000 3.71652e+01 45.000  1.0000 
1 1 1 8  0  18 o 4  3.73789e+02 4.55282e+00 4.47993e+02 90.000  -1.23752e-06 1.41555e+01  0.00000e+00 0.00000e+00 4.81025e+02 90.000  3.30322e+01 90.000  1.0000 
1 1 1 8  0  19 o 15 3.79792e+02 5.38604e+00 4.58310e+02 135.000 -1.01490e+01 1.01490e+01  0.00000e+00 0.00000e+00 4.84121e+02 135.000 2.58113e+01 135.000 1.0000 
1 1 1 8  0  20 o 17 2.67745e+02 4.91068e+00 4.57710e+02 0.000   9.64016e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.05567e+02 0.000   2.52143e+02 180.000 1.0000 
1 1 1 8  0  21 o 17 3.64816e+02 4.44955e+00 3.50783e+02 45.000  6.93922e+00  6.93922e+00  0.00000e+00 0.00000e+00 5.51369e+02 45.000  2.00587e+02 45.000  1.0000 
1 1 1 8  0  22 o 6  4.38264e+01 1.30220e+01 2.49496e+02 90.000  -8.40065e-08 9.60922e-01  0.00000e+00 0.00000e+00 1.68938e+02 270.000 4.18434e+02 270.000 0.7447 
1 1 1 8  0  23 o 7  6.46491e+02 6.02132e+00 5.54155e+02 315.000 2.16508e+01  -2.16508e+01 0.00000e+00 0.00000e+00 1.03849e+03 315.000 4.84338e+02 315.000 1.0000 
1 1 1 8  0  24 o 14 2.01430e+02 3.80672e+00 2.93040e+02 0.000   4.89981e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.02129e+02 0.000   9.09104e+01 180.000 0.9999 
1 1 1 8  0  25 o 7  5.05059e+02 5.00428e+00 5.51972e+02 45.000  1.36122e+01  1.36122e+01  0.00000e+00 0.00000e+00 6.87112e+02 45.000  1.35141e+02 45.000  1.0000 
1 1 1 8  0  26 o 14 2.66142e+02 4.40680e+00 3.28014e+02 270.000 6.25497e-07  -7.15485e+00 0.00000e+00 0.00000e+00 3.23489e+02 270.000 4.52456e+00 90.000  1.0000 
1 1 1 8  0  27 o 1  2.81702e+02 3.81437e+00 4.08175e+02 135.000 -5.49102e+00 5.49102e+00  0.00000e+00 0.00000e+00 2.79844e+02 135.000 1.28330e+02 315.000 1.0000 
1 1 1 8  0  28 o 11 1.98822e+01 1.24303e+01 5.80530e+01 0.000   7.45367e-02  0.00000e+00  0.00000e+00 0.00000e+00 5.44488e+01 180.000 1.12502e+02 180.000 0.0744 
1 1 1 8  0  29 o 15 2.21957e+02 3.77833e+00 6.17293e+02 45.000  8.10098e+00  8.10098e+00  0.00000e+00 0.00000e+00 7.78062e+01 225.000 6.95100e+02 225.000 1.0000 
1 1 1 8  0  30 o 8  1.10065e+02 5.71451e+00 7.35331e+01 90.000  -5.48076e-08 6.26925e-01  0.00000e+00 0.00000e+00 7.48141e+01 90.000  1.28099e+00 90.000  0.5559 
1 1 1 8  0  31 o 19 3.33629e+02 4.39304e+00 5.29021e+02 315.000 1.15979e+01  -1.15979e+01 0.00000e+00 0.00000e+00 2.77706e+02 315.000 2.51315e+02 135.000 1.0000 
1 1 1 8  0  32 o 10 4.55005e+02 4.70621e+00 4.84267e+02 0.000   2.25066e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.12968e+02 0.000   1.28701e+02 0.000   1.0000 
1 1 1 8  0  33 o 8  3.92307e+02 4.33352e+00 4.20077e+02 225.000 -1.16019e+01 -1.16020e+01 0.00000e+00 0.00000e+00 5.23314e+02 225.000 1.03237e+02 225.000 1.0000 
1 1 1 8  0  34 o 6  1.65834e+01 1.11650e+01 1.27239e+02 270.000 1.87307e-08  -2.14255e-01 0.00000e+00 0.00000e+00 1.18847e+02 90.000  2.46085e+02 90.000  0.2110 
1 1 1 8  0  36 o 5  3.96224e+02 4.70314e+00 3.99284e+02 0.000   1.81061e+01  0.00000e+00  0.00000e+00 0.00000e+00 5.45056e+02 0.000   1.45772e+02 0.000   1.0000 
1 1 1 8  0  37 o 10 3.97854e+01 1.47217e+01 1.03245e+02 45.000  3.57197e-01  3.57197e-01  0.00000e+00 0.00000e+00 5.91811e+01 225.000 1.62426e+02 225.000 0.4662 
1 1 1 8  0  39 o 10 8.34402e+01 6.61631e+00 1.73485e+02 315.000 1.50890e+00  -1.50890e+00 0.00000e+00 0.00000e+00 1.80186e+01 315.000 1.55466e+02 135.000 0.9724 
1 1 1 8  0  40 o 16 6.06345e+02 5.81845e+00 7.61885e+02 180.000 -7.47115e+01 0.00000e+00  0.00000e+00 0.00000e+00 6.64422e+02 180.000 9.74630e+01 0.000   1.0000 
1 1 1 8  0  42 o 19 2.58464e+02 3.81118e+00 7.20330e+01 270.000 3.15823e-07  -3.61259e+00 0.00000e+00 0.00000e+00 5.30788e+02 270.000 4.58755e+02 270.000 0.9985 
1 1 1 8  0  43 o 15 1.89830e+02 4.72994e+00 6.00554e+01 315.000 1.75490e+00  -1.75490e+00 0.00000e+00 0.00000e+00 3.75580e+02 315.000 3.15525e+02 315.000 0.9861 
1 1 1 8  0  44 f 0  2.25309e+01 1.49189e+01 5.17811e+00 180.000 -2.39167e-02 0.00000e+00  0.00000e+00 0.00000e+00 3.92902e+00 0.000   9.10713e+00 0.000   0.0239 
1 1 1 8  0  45 f 0  1.89152e+02 5.96113e+00 2.58979e+02 45.000  8.15661e+00  8.15661e+00  0.00000e+00 0.00000e+00 1.77880e+02 45.000  8.10991e+01 225.000 1.0000 
1 1 1 8  0  46 o 6  1.80788e+02 6.09350e+00 1.63121e+02 90.000  -6.83907e-07 7.82299e+00  0.00000e+00 0.00000e+00 2.52786e+02 90.000  8.96649e+01 90.000  1.0000 
1 1 1 8  0  47 o 13 1.79326e+01 1.27679e+01 3.59974e+01 315.000 1.42991e-01  -1.42991e-01 0.00000e+00 0.00000e+00 2.77998e+01 135.000 6.37971e+01 135.000 0.1995 
1 1 1 8  0  48 o 7  6.44422e+01 1.71447e+01 4.51747e+01 0.000   8.88046e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.92958e+01 0.000   1.41211e+01 0.000   0.7104 
1 1 1 8  0  49 o 3  6.29688e+01 1.69371e+01 3.16240e+00 225.000 -4.27425e-02 -4.27425e-02 0.00000e+00 0.00000e+00 5.47650e+00 225.000 2.31410e+00 225.000 0.0604 
1 1 1 8  0  50 o 9  1.88558e+02 6.78962e+00 1.84145e+02 90.000  0.00000e+00  1.26700e+01  0.00000e+00 0.00000e+00 2.42511e+02 90.000  5.83660e+01 90.000  1.0000 
1 1 1 8  0  51 o 9  3.51853e+01 1.85682e+01 1.35088e+02 315.000 1.03927e+00  -1.03927e+00 0.00000e+00 0.00000e+00 6.37836e+01 135.000 1.98872e+02 135.000 0.8995 
1 1 1 8  0  52 o 14 8.14274e+01 1.07186e+01 8.45336e+01 180.000 -2.58365e+00 0.00000e+00  0.00000e+00 0.00000e+00 9.60298e+01 180.000 1.14962e+01 180.000 0.9887 
1 1 1 8  0  53 o 17 1.11717e+02 8.25945e+00 8.99864e+01 45.000  3.50227e+00  3.50227e+00  0.00000e+00 0.00000e+00 1.59427e+02 45.000  6.94404e+01 45.000  0.9999 
1 1 1 8  0  54 o 18 1.87218e+02 6.03941e+00 2.54158e+02 90.000  0.00000e+00  2.23285e+01  0.00000e+00 0.00000e+00 1.61931e+02 90.000  9.22262e+01 270.000 1.0000 
1 1 1 8  0  55 o 10 7.97894e+01 1.05807e+01 4.67410e+01 135.000 -1.48835e+00 1.48835e+00  0.00000e+00 0.00000e+00 1.24592e+02 135.000 7.78510e+01 135.000 0.9707 
1 1 1 8  0  56 o 3  3.04449e+02 8.63951e+00 3.20504e+02 0.000   4.37518e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.49738e+02 0.000   2.92342e+01 0.000   1.0000 
1 1 1 8  0  57 o 2  2.57947e+02 5.73932e+00 2.36140e+02 225.000 -2.92173e+01 -2.92173e+01 0.00000e+00 0.00000e+00 3.28967e+02 225.000 9.28266e+01 225.000 1.0000 
1 1 1 8  0  58 o 10 2.14278e+02 5.95791e+00 2.37237e+02 270.000 -2.11701e-15 -3.45735e+01 0.00000e+00 0.00000e+00 2.29878e+02 270.000 7.35895e+00 90.000  1.0000 
1 1 1 8  0  59 o 16 1.45592e+02 6.70428e+00 1.71821e+02 135.000 -1.39997e+01 1.39997e+01  0.00000e+00 0.00000e+00 1.43963e+02 135.000 2.78576e+01 315.000 1.0000 
1 1 1 8  0  60 o 6  1.38060e+02 7.15023e+00 8.29923e+01 180.000 -8.90799e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.14923e+02 180.000 1.31930e+02 180.000 1.0000 
1 1 1 8  0  61 o 1  4.60404e+01 1.89630e+01 2.69235e+01 45.000  5.93164e-01  5.93164e-01  0.00000e+00 0.00000e+00 4.07966e+01 45.000  1.38732e+01 45.000  0.6852 
1 1 1 8  0  62 o 6  6.64211e+01 1.53928e+01 6.00640e+01 270.000 2.55232e-07  -2.91952e+00 0.00000e+00 0.00000e+00 8.09396e+01 270.000 2.08756e+01 270.000 0.9942 
1 1 1 8  0  63 o 15 1.77612e+01 1.27812e+01 9.11246e+00 315.000 1.04001e-01  -1.04001e-01 0.00000e+00 0.00000e+00 3.60412e+00 135.000 1.27166e+01 135.000 0.1460 
1 1 1 8  0  64 o 11 2.59941e+01 1.64115e+01 1.57779e+00 180.000 -3.73741e-02 0.00000e+00  0.00000e+00 0.00000e+00 4.73253e-01 180.000 1.10454e+00 0.000   0.0374 
1 1 1 8  0  65 o 13 1.19524e+02 8.60349e+00 9.91545e+01 45.000  1.02299e+01  1.02299e+01  0.00000e+00 0.00000e+00 1.51902e+02 45.000  5.27475e+01 45.000  1.0000 
1 1 1 8  0  66 o 5  2.42832e+01 1.58319e+01 1.55843e+01 270.000 3.32122e-08  -3.79904e-01 0.00000e+00 0.00000e+00 2.80748e+00 270.000 1.27768e+01 90.000  0.3626 
1 1 1 8  1  0  o 11 3.62012e+02 4.29738e+00 5.37747e+02 0.000   1.16134e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.74793e+02 0.000   1.62955e+02 180.000 1.0000 
1 1 1 8  1  1  o 7  2.89861e+02 2.62208e+00 3.44876e+02 32.924  9.99986e+00  6.47526e+00  0.00000e+00 0.00000e+00 3.54388e+02 32.924  9.51186e+00 32.924  0.9571 
1 1 1 8  1  2  o 15 1.94593e+02 2.59702e+00 1.61125e+02 286.935 1.08346e+00  -3.55827e+00 0.00000e+00 0.00000e+00 2.56627e+02 286.935 9.55018e+01 286.935 0.8518 
1 1 1 8  1  3  o 11 4.80389e+02 3.49093e+00 4.33128e+02 324.917 2.00320e+01  -1.40697e+01 0.00000e+00 0.00000e+00 7.52353e+02 324.917 3.19225e+02 324.917 0.9794 
1 1 1 8  1  4  o 10 3.31649e+02 2.94302e+00 4.43469e+02 256.993 -3.85651e+00 -1.66953e+01 0.00000e+00 0.00000e+00 3.67201e+02 256.993 7.62679e+01 76.993  0.9704 
1 1 1 8  1  5  o 7  2.18689e+02 2.74873e+00 5.58159e+02 239.759 -7.07146e+00 -1.21299e+01 0.00000e+00 0.00000e+00 2.74810e+01 59.759  5.85640e+02 59.759  0.9637 
1 1 1 8  1  6  o 4  2.01391e+02 2.77502e+00 1.87074e+02 167.570 -4.16778e+00 9.18605e-01  0.00000e+00 0.00000e+00 2.55465e+02 167.570 6.83904e+01 167.570 0.8731 
1 1 1 8  1  7  o 1  5.66983e+02 4.07600e+00 7.94480e+02 196.514 -6.49530e+01 -1.92572e+01 0.00000e+00 0.00000e+00 6.21158e+02 196.514 1.73321e+02 16.514  0.9926 
1 1 1 8  1  8  o 18 1.62969e+02 2.86754e+00 1.06021e+02 344.184 2.45904e+00  -6.96569e-01 0.00000e+00 0.00000e+00 2.09807e+02 344.184 1.03785e+02 344.184 0.7709 
1 1 1 8  1  9  o 6  2.24302e+02 2.57098e+00 2.51916e+02 275.709 8.15580e-01  -8.15792e+00 0.00000e+00 0.00000e+00 2.75950e+02 275.709 2.40333e+01 275.709 0.9369 
1 1 1 8  1  10 o 16 3.30951e+02 2.86198e+00 3.16535e+02 234.322 -8.68093e+00 -1.20904e+01 0.00000e+00 0.00000e+00 4.85709e+02 234.322 1.69173e+02 234.322 0.9658 
1 1 1 8  1  11 o 11 7.23009e+01 4.84197e+00 8.22078e+01 229.000 -6.04244e-01 -6.95097e-01 0.00000e+00 0.00000e+00 6.47658e+00 49.000  8.86844e+01 49.000  0.4177 
1 1 1 8  1  12 o 10 2.73384e+02 2.99070e+00 2.61727e+02 332.765 9.65801e+00  -4.97099e+00 0.00000e+00 0.00000e+00 3.90809e+02 332.765 1.29083e+02 332.765 0.9528 
1 1 1 8  1  13 o 16 1.55080e+02 2.90363e+00 1.83547e+02 139.870 -3.22659e+00 2.71995e+00  0.00000e+00 0.00000e+00 1.54655e+02 139.870 2.88919e+01 319.870 0.8715 
1 1 1 8  1  14 o 8  3.42147e+02 2.82378e+00 4.76322e+02 71.139  8.77466e+00  2.56861e+01  0.00000e+00 0.00000e+00 3.62978e+02 71.139  1.13344e+02 251.139 0.9814 
1 1 1 8  1  15 f 0  3.46328e+02 3.11844e+00 3.65704e+02 214.876 -1.68895e+01 -1.17716e+01 0.00000e+00 0.00000e+00 4.77602e+02 214.876 1.11898e+02 214.876 0.9754 
1 1 1 8  1  16 o 19 4.75930e+02 3.79121e+00 6.42592e+02 76.693  1.41015e+01  5.96192e+01  0.00000e+00 0.00000e+00 5.34208e+02 76.693  1.08384e+02 256.693 0.9918 
1 1 1 8  1  17 o 5  2.04508e+02 2.95700e+00 3.22645e+02 128.188 -7.97396e+00 1.01373e+01  0.00000e+00 0.00000e+00 1.66329e+02 128.188 1.56316e+02 308.188 0.9604 
1 1 1 8  1  18 o 10 3.44953e+02 3.14180e+00 4.04308e+02 125.132 -1.35164e+01 1.92091e+01  0.00000e+00 0.00000e+00 4.34706e+02 125.132 3.03983e+01 125.132 0.9785 
1 1 1 8  1  19 o 15 2.74587e+02 3.36636e+00 1.72877e+02 306.796 4.67491e+00  -6.24999e+00 0.00000e+00 0.00000e+00 4.63307e+02 306.796 2.90429e+02 306.796 0.9335 
1 1 1 8  1  20 o 2  2.77367e+02 2.81401e+00 3.26349e+02 220.790 -1.07492e+01 -9.27516e+00 0.00000e+00 0.00000e+00 3.36201e+02 220.790 9.85243e+00 220.790 0.9641 
1 1 1 8  1  21 o 4  8.45479e+01 4.79482e+00 2.00172e+02 12.929  2.51460e+00  5.77258e-01  0.00000e+00 0.00000e+00 3.84422e+01 192.929 2.38614e+02 192.929 0.7734 
1 1 1 8  1  22 o 18 5.56937e+02 4.07381e+00 6.11066e+02 300.654 3.08380e+01  -5.20332e+01 0.00000e+00 0.00000e+00 7.52411e+02 300.654 1.41344e+02 300.654 0.9917 
1 1 1 8  1  23 o 14 4.21654e+02 3.40099e+00 4.68862e+02 160.928 -3.18520e+01 1.10122e+01  0.00000e+00 0.00000e+00 5.54510e+02 160.928 8.56473e+01 160.928 0.9851 
1 1 1 8  1  24 o 12 3.62203e+02 2.98324e+00 4.42134e+02 170.610 -2.61205e+01 4.31974e+00  0.00000e+00 0.00000e+00 4.31498e+02 170.610 1.06361e+01 350.610 0.9809 
1 1 1 8  1  25 o 5  5.17495e+02 3.79910e+00 7.44741e+02 277.443 6.86702e+00  -5.25649e+01 0.00000e+00 0.00000e+00 5.12998e+02 277.443 2.31742e+02 97.443  0.9905 
1 1 1 8  1  26 o 9  1.18880e+02 3.54437e+00 2.88864e+02 327.569 4.73176e+00  -3.00642e+00 0.00000e+00 0.00000e+00 2.52362e+01 147.569 3.14101e+02 147.569 0.9058 
1 1 1 8  1  27 o 3  1.22471e+02 3.96540e+00 2.56704e+02 25.567  3.81124e+00  1.82334e+00  0.00000e+00 0.00000e+00 4.05919e+00 25.567  2.52644e+02 205.567 0.8716 
1 1 1 8  1  28 o 4  3.66580e+02 2.94843e+00 3.94785e+02 341.641 2.37138e+01  -7.86949e+00 0.00000e+00 0.00000e+00 4.80479e+02 341.641 8.56936e+01 341.641 0.9798 
1 1 1 8  1  29 o 1  2.60722e+02 2.92158e+00 3.24378e+02 184.017 -1.40532e+01 -9.86796e-01 0.00000e+00 0.00000e+00 2.86495e+02 184.017 3.78834e+01 4.017   0.9638 
1 1 1 8  1  30 o 12 2.33223e+02 2.70266e+00 3.41293e+02 254.630 -3.26243e+00 -1.18685e+01 0.00000e+00 0.00000e+00 2.00735e+02 254.630 1.40558e+02 74.630  0.9585 
1 1 1 8  1  31 o 12 1.16895e+02 3.60253e+00 2.74760e+02 286.314 1.66984e+00  -5.70538e+00 0.00000e+00 0.00000e+00 1.70840e+01 106.314 2.91844e+02 106.314 0.9115 
1 1 1 8  1  32 o 18 1.57742e+02 2.98959e+00 1.71956e+02 143.159 -4.42401e+00 3.31451e+00  0.00000e+00 0.00000e+00 1.72095e+02 143.159 1.38522e-01 143.159 0.9043 
1 1 1 8  1  33 o 9  4.31514e+02 3.23330e+00 4.93158e+02 184.282 -4.21127e+01 -3.15333e+00 0.00000e+00 0.00000e+00 5.32301e+02 184.282 3.91433e+01 184.282 0.9881 
1 1 1 8  1  34 o 4  1.35645e+02 3.35410e+00 2.62532e+02 263.573 -8.17326e-01 -7.25596e+00 0.00000e+00 0.00000e+00 3.95864e+01 263.573 2.22945e+02 83.573  0.9288 
1 1 1 8  1  36 o 3  3.25871e+02 3.20947e+00 2.12480e+02 289.217 5.20288e+00  -1.49266e+01 0.00000e+00 0.00000e+00 5.39310e+02 289.217 3.26830e+02 289.217 0.9678 
1 1 1 8  1  37 o 6  3.46515e+02 3.13554e+00 3.01552e+02 235.919 -1.47892e+01 -2.18589e+01 0.00000e+00 0.00000e+00 5.06082e+02 235.919 2.04531e+02 235.919 0.9809 
1 1 1 8  1  39 o 7  1.27655e+02 3.33496e+00 1.44848e+02 168.111 -5.34164e+00 1.12457e+00  0.00000e+00 0.00000e+00 1.27282e+02 168.111 1.75662e+01 348.111 0.9030 
1 1 1 8  1  40 o 1  1.43981e+02 3.07858e+00 2.07995e+02 255.922 -2.35731e+00 -9.39987e+00 0.00000e+00 0.00000e+00 1.12756e+02 255.922 9.52391e+01 75.922  0.9469 
1 1 1 8  1  42 o 19 4.08240e+02 3.56303e+00 4.69891e+02 111.093 -2.66684e+01 6.91367e+01  0.00000e+00 0.00000e+00 4.77322e+02 111.093 7.43059e+00 111.093 0.9932 
1 1 1 8  1  43 o 14 4.42688e+01 9.58663e+00 5.02638e+01 287.311 2.76428e-01  -8.86920e-01 0.00000e+00 0.00000e+00 6.92015e+00 107.311 5.71839e+01 107.311 0.4207 
1 1 1 8  1  44 o 7  1.06821e+02 4.61421e+00 8.82360e+01 102.473 -8.70157e-01 3.93380e+00  0.00000e+00 0.00000e+00 1.25926e+02 102.473 3.76903e+01 102.473 0.8646 
1 1 1 8  1  45 o 7  3.01424e+02 3.26132e+00 2.60533e+02 96.633  -4.28064e+00 3.68107e+01  0.00000e+00 0.00000e+00 4.26265e+02 96.633  1.65733e+02 96.633  0.9864 
1 1 1 8  1  46 o 16 2.59087e+02 3.68485e+00 2.53037e+02 120.348 -1.75953e+01 3.00534e+01  0.00000e+00 0.00000e+00 3.34461e+02 120.348 8.14234e+01 120.348 0.9855 
1 1 1 8  1  47 o 17 8.71592e+01 7.99429e+00 1.48218e+02 142.549 -6.49703e+00 4.97652e+00  0.00000e+00 0.00000e+00 3.88853e+01 142.549 1.09333e+02 322.549 0.9367 
1 1 1 8  1  48 o 1  4.74783e+01 1.11839e+01 1.31009e+02 269.384 -4.13734e-02 -3.84732e+00 0.00000e+00 0.00000e+00 3.81031e+01 89.384  1.69112e+02 89.384  0.8574 
1 1 1 8  1  49 o 17 2.69997e+02 4.19751e+00 2.31190e+02 30.949  3.64800e+01  2.18749e+01  0.00000e+00 0.00000e+00 3.75184e+02 30.949  1.43994e+02 30.949  0.9882 
1 1 1 8  1  50 o 2  8.63210e+01 7.46434e+00 1.52434e+02 198.556 -8.85087e+00 -2.97102e+00 0.00000e+00 0.00000e+00 3.21357e+01 198.556 1.20298e+02 18.556  0.9448 
1 1 1 8  1  51 o 14 1.66758e+02 4.71400e+00 8.06118e+01 330.358 1.03285e+01  -5.87728e+00 0.00000e+00 0.00000e+00 2.78954e+02 330.358 1.98343e+02 330.358 0.9570 
1 1 1 8  1  52 o 4  5.14706e+01 1.09148e+01 8.08049e+01 7.256   2.94020e+00  3.74378e-01  0.00000e+00 0.00000e+00 1.24040e+01 7.256   6.84008e+01 187.256 0.8073 
1 1 1 8  1  53 o 5  1.23295e+02 5.58207e+00 1.39689e+02 337.233 1.56772e+01  -6.57954e+00 0.00000e+00 0.00000e+00 1.27415e+02 337.233 1.22735e+01 157.233 0.9701 
1 1 1 8  1  54 o 11 6.20242e+01 9.91525e+00 9.01989e+01 84.347  4.76726e-01  4.81588e+00  0.00000e+00 0.00000e+00 3.24369e+01 84.347  5.77620e+01 264.347 0.8895 
1 1 1 8  1  55 o 19 1.32553e+02 5.52063e+00 9.32072e+01 355.555 1.43424e+01  -1.11497e+00 0.00000e+00 0.00000e+00 1.89665e+02 355.555 9.64577e+01 355.555 0.9646 
1 1 1 8  1  56 o 17 4.98656e+01 1.07010e+01 3.57095e+01 138.262 -1.10581e+00 9.86558e-01  0.00000e+00 0.00000e+00 2.92486e+01 138.262 6.46095e+00 318.262 0.5916 
1 1 1 8  1  57 o 5  1.28330e+02 5.78857e+00 1.30298e+02 192.084 -2.16086e+01 -4.62629e+00 0.00000e+00 0.00000e+00 1.44448e+02 192.084 1.41503e+01 192.084 0.9771 
1 1 1 8  1  58 o 13 1.48018e+02 4.91697e+00 1.67503e+02 108.854 -1.07826e+01 3.15755e+01  0.00000e+00 0.00000e+00 1.50342e+02 108.854 1.71610e+01 288.854 0.9849 
1 1 1 8  1  59 f 0  1.22779e+02 5.32485e+00 1.14811e+02 223.813 -1.59217e+01 -1.52755e+01 0.00000e+00 0.00000e+00 1.45424e+02 223.813 3.06131e+01 223.813 0.9771 
1 1 1 8  1  60 o 12 8.39865e+01 6.94227e+00 1.18913e+02 324.869 1.22218e+01  -8.59958e+00 0.00000e+00 0.00000e+00 5.61705e+01 324.869 6.27427e+01 144.869 0.9659 
1 1 1 8  1  61 o 18 3.72424e+01 1.01934e+01 5.17298e+01 257.336 -6.41841e-01 -2.85651e+00 0.00000e+00 0.00000e+00 1.25954e+01 257.336 3.91344e+01 77.336  0.8045 
1 1 1 8  1  62 o 13 9.54178e+01 6.52797e+00 5.49679e+01 250.764 -2.86611e+00 -8.21360e+00 0.00000e+00 0.00000e+00 1.36707e+02 250.764 8.17392e+01 250.764 0.9406 
1 1 1 8  1  63 f 0  8.75464e+01 7.72721e+00 7.94021e+01 294.976 5.56539e+00  -1.19479e+01 0.00000e+00 0.00000e+00 9.93547e+01 294.976 1.99526e+01 294.976 0.9613 
1 1 1 8  1  64 o 9  4.77708e+01 1.04204e+01 5.75004e+01 105.571 -1.41362e+00 5.07303e+00  0.00000e+00 0.00000e+00 3.32437e+01 105.571 2.42568e+01 285.571 0.8992 
1 1 1 8  1  65 o 8  5.06646e+01 1.10067e+01 4.78814e+01 62.123  2.27607e+00  4.30288e+00  0.00000e+00 0.00000e+00 4.68690e+01 62.123  1.01236e+00 242.123 0.8902 
1 1 1 8  1  66 f 0  7.44100e+01 9.24988e+00 6.78499e+01 46.650  7.58486e+00  8.03478e+00  0.00000e+00 0.00000e+00 8.03772e+01 46.650  1.25273e+01 46.650  0.9536 
1 1 1 8  2  0  o 7  4.66475e+02 4.68737e+00 5.12694e+02 0.000   1.38686e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.63674e+02 0.000   1.50979e+02 0.000   1.0000 
1 1 1 8  2  1  f 0  2.06349e+02 2.58214e+00 5.70380e+02 195.846 -1.31210e+01 -3.72438e+00 0.00000e+00 0.00000e+00 6.94803e+01 15.847  6.39861e+02 15.847  0.9626 
1 1 1 8  2  2  o 14 3.64758e+02 2.86554e+00 3.67392e+02 291.789 5.73862e+00  -1.43553e+01 0.00000e+00 0.00000e+00 5.22044e+02 291.789 1.54653e+02 291.789 0.9671 
1 1 1 8  2  3  f 0  2.30299e+02 2.56013e+00 2.88139e+02 189.956 -7.48888e+00 -1.31461e+00 0.00000e+00 0.00000e+00 2.52762e+02 189.956 3.53764e+01 9.956   0.9317 
1 1 1 8  2  4  f 0  1.61806e+02 2.89352e+00 2.86184e+02 126.239 -3.10554e+00 4.23715e+00  0.00000e+00 0.00000e+00 8.03729e+01 126.239 2.05811e+02 306.239 0.8989 
1 1 1 8  2  5  o 3  1.37209e+02 3.12934e+00 2.12635e+02 72.392  1.33779e+00  4.21530e+00  0.00000e+00 0.00000e+00 9.08431e+01 72.392  1.21792e+02 252.392 0.8780 
1 1 1 8  2  6  o 12 1.71461e+02 2.95234e+00 2.29224e+02 267.226 -2.84450e-01 -5.87147e+00 0.00000e+00 0.00000e+00 1.63829e+02 267.226 6.53955e+01 87.226  0.9104 
1 1 1 8  2  7  o 7  2.38709e+02 2.77791e+00 2.30942e+02 245.560 -3.35954e+00 -7.39251e+00 0.00000e+00 0.00000e+00 3.31463e+02 245.560 1.00521e+02 245.560 0.9362 
1 1 1 8  2  8  o 18 4.92718e+01 7.96693e+00 4.44555e+01 16.370  3.01255e-01  8.84941e-02  0.00000e+00 0.00000e+00 2.52381e+01 196.370 6.96936e+01 196.370 0.1551 
1 1 1 8  2  9  o 13 3.12055e+02 2.85661e+00 4.88626e+02 107.673 -6.57987e+00 2.06514e+01  0.00000e+00 0.00000e+00 2.77266e+02 107.673 2.11359e+02 287.673 0.9767 
1 1 1 8  2  10 o 2  1.06272e+02 3.82231e+00 1.67846e+02 8.517   2.74526e+00  4.11117e-01  0.00000e+00 0.00000e+00 4.34819e+01 8.517   1.24364e+02 188.517 0.7919 
1 1 1 8  2  11 o 11 1.27016e+02 3.36152e+00 1.19093e+02 178.566 -2.30487e+00 5.77031e-02  0.00000e+00 0.00000e+00 1.17369e+02 178.566 1.72356e+00 358.566 0.7421 
1 1 1 8  2  12 o 5  3.97143e+02 3.21546e+00 5.09377e+02 102.969 -6.76998e+00 2.93955e+01  0.00000e+00 0.00000e+00 4.69307e+02 102.969 4.00701e+01 282.969 0.9833 
1 1 1 8  2  13 o 2  2.24470e+02 3.21966e+00 2.53635e+02 178.029 -9.54370e+00 3.28429e-01  0.00000e+00 0.00000e+00 2.78033e+02 178.029 2.43978e+01 178.029 0.9461 
1 1 1 8  2  14 o 13 1.90436e+02 3.00326e+00 2.32483e+02 164.512 -6.99682e+00 1.93881e+00  0.00000e+00 0.00000e+00 2.09591e+02 164.512 2.28923e+01 344.512 0.9283 
1 1 1 8  2  15 o 5  2.76607e+02 2.89213e+00 2.04799e+02 231.328 -7.17664e+00 -8.96699e+00 0.00000e+00 0.00000e+00 4.55223e+02 231.328 2.50424e+02 231.328 0.9554 
1 1 1 8  2  16 o 8  1.82053e+02 2.91503e+00 1.11807e+02 231.779 -2.49011e+00 -3.16201e+00 0.00000e+00 0.00000e+00 2.80717e+02 231.779 1.68910e+02 231.779 0.8645 
1 1 1 8  2  17 o 5  1.73278e+02 3.12425e+00 1.24190e+02 199.183 -3.91877e+00 -1.36339e+00 0.00000e+00 0.00000e+00 2.50848e+02 199.183 1.26658e+02 199.183 0.8690 
1 1 1 8  2  18 f 0  6.30141e+02 4.70853e+00 6.84007e+02 57.379  3.85812e+01  6.02792e+01  0.00000e+00 0.00000e+00 8.72055e+02 57.379  1.88048e+02 57.379  0.9930 
1 1 1 8  2  19 o 1  2.88319e+02 3.05568e+00 3.05059e+02 328.184 1.18834e+01  -7.37256e+00 0.00000e+00 0.00000e+00 3.84706e+02 328.184 7.96462e+01 328.184 0.9636 
1 1 1 8  2  20 o 14 2.84070e+02 3.04760e+00 3.75968e+02 231.365 -1.03388e+01 -1.29350e+01 0.00000e+00 0.00000e+00 3.06548e+02 231.365 6.94199e+01 51.365  0.9693 
1 1 1 8  2  21 o 11 1.36678e+02 3.59134e+00 3.13323e+02 242.444 -3.58153e+00 -6.86359e+00 0.00000e+00 0.00000e+00 2.19665e+00 242.444 3.11126e+02 62.444  0.9330 
1 1 1 8  2  22 o 6  2.46174e+02 3.03913e+00 1.88368e+02 23.887  7.46428e+00  3.30571e+00  0.00000e+00 0.00000e+00 3.81057e+02 23.887  1.92689e+02 23.887  0.9366 
1 1 1 8  2  23 o 18 6.70602e+02 4.72029e+00 7.69744e+02 29.336  7.56247e+01  4.25011e+01  0.00000e+00 0.00000e+00 8.73687e+02 29.336  1.03943e+02 29.336  0.9942 
1 1 1 8  2  24 o 17 2.22852e+02 3.03491e+00 2.77471e+02 204.813 -7.88204e+00 -3.64416e+00 0.00000e+00 0.00000e+00 2.38127e+02 204.813 3.93436e+01 24.813  0.9405 
1 1 1 8  2  25 o 5  4.20537e+02 3.70158e+00 5.73270e+02 105.985 -9.03310e+00 3.15336e+01  0.00000e+00 0.00000e+00 4.43180e+02 105.985 1.30090e+02 285.985 0.9846 
1 1 1 8  2  26 o 6  2.94568e+02 2.99771e+00 4.35725e+02 200.317 -1.94609e+01 -7.20534e+00 0.00000e+00 0.00000e+00 2.68170e+02 200.317 1.67555e+02 20.317  0.9756 
1 1 1 8  2  27 f 0  5.44723e+02 4.05515e+00 5.69585e+02 230.723 -2.61060e+01 -3.19218e+01 0.00000e+00 0.00000e+00 7.45342e+02 230.723 1.75757e+02 230.723 0.9878 
1 1 1 8  2  28 o 13 3.32848e+02 3.08168e+00 4.91318e+02 31.478  2.38039e+01  1.45744e+01  0.00000e+00 0.00000e+00 3.05479e+02 31.478  1.85839e+02 211.478 0.9819 
1 1 1 8  2  29 o 3  4.71145e+01 8.17650e+00 3.90094e+01 206.335 -2.58218e-01 -1.27813e-01 0.00000e+00 0.00000e+00 2.26718e+01 26.335  6.16812e+01 26.335  0.1426 
1 1 1 8  2  30 o 13 5.03608e+02 3.80568e+00 6.28819e+02 299.061 2.91964e+01  -5.25401e+01 0.00000e+00 0.00000e+00 5.82625e+02 299.061 4.61941e+01 119.061 0.9916 
1 1 1 8  2  31 o 19 3.33743e+02 3.06955e+00 3.99301e+02 206.143 -2.19362e+01 -1.07666e+01 0.00000e+00 0.00000e+00 3.91464e+02 206.143 7.83657e+00 26.143  0.9793 
1 1 1 8  2  32 o 10 1.33043e+02 3.74162e+00 1.52605e+02 213.776 -3.40531e+00 -2.27763e+00 0.00000e+00 0.00000e+00 1.25759e+02 213.776 2.68461e+01 33.776  0.8671 
1 1 1 8  2  33 o 17 3.43264e+02 3.38315e+00 3.97020e+02 301.645 1.40542e+01  -2.28042e+01 0.00000e+00 0.00000e+00 4.13339e+02 301.645 1.63196e+01 301.645 0.9812 
1 1 1 8  2  34 o 13 1.66899e+02 3.22702e+00 9.09005e+01 250.082 -1.05090e+00 -2.90023e+00 0.00000e+00 0.00000e+00 2.35864e+02 250.082 1.44963e+02 250.082 0.8161 
1 1 1 8  2  35 o 11 3.08120e+02 3.23402e+00 2.35730e+02 354.006 1.58016e+01  -1.65914e+00 0.00000e+00 0.00000e+00 4.77714e+02 354.006 2.41984e+02 354.006 0.9680 
1 1 1 8  2  36 o 15 2.31293e+02 3.18072e+00 2.98610e+02 273.944 1.07557e+00  -1.55987e+01 0.00000e+00 0.00000e+00 2.35015e+02 273.944 6.35950e+01 93.944  0.9675 
1 1 1 8  2  37 f 0  8.97018e+01 4.59926e+00 5.33057e+01 123.249 -6.96427e-01 1.06226e+00  0.00000e+00 0.00000e+00 6.05620e+01 123.249 7.25632e+00 123.249 0.5340 
1 1 1 8  2  38 o 4  8.98334e+01 4.78180e+00 1.06021e+02 30.361  2.48037e+00  1.45297e+00  0.00000e+00 0.00000e+00 6.43266e+01 30.361  4.16945e+01 210.361 0.8003 
1 1 1 8  2  39 o 12 2.34148e+02 2.93077e+00 2.97036e+02 72.621  7.19750e+00  2.29967e+01  0.00000e+00 0.00000e+00 2.44346e+02 72.621  5.26895e+01 252.621 0.9790 
1 1 1 8  2  40 o 17 8.14855e+01 4.74987e+00 1.53018e+02 339.175 3.72611e+00  -1.41729e+00 0.00000e+00 0.00000e+00 1.24950e+01 339.175 1.40523e+02 159.175 0.8630 
1 1 1 8  2  42 o 12 3.28564e+02 3.57680e+00 3.14486e+02 167.923 -3.87804e+01 8.29758e+00  0.00000e+00 0.00000e+00 4.43639e+02 167.923 1.29153e+02 167.923 0.9873 
1 1 1 8  2  43 o 3  1.66369e+02 4.02527e+00 1.66260e+02 54.847  6.87793e+00  9.76693e+00  0.00000e+00 0.00000e+00 2.04542e+02 54.847  3.82827e+01 54.847  0.9572 
1 1 1 8  2  44 o 1  3.43616e+02 3.76183e+00 4.27778e+02 81.857  8.87718e+00  6.20401e+01  0.00000e+00 0.00000e+00 3.62947e+02 81.857  6.48314e+01 261.857 0.9920 
1 1 1 8  2  45 o 5  1.06232e+02 5.48032e+00 9.68090e+01 330.309 4.14869e+00  -2.36552e+00 0.00000e+00 0.00000e+00 1.21163e+02 330.309 2.43538e+01 330.309 0.8879 
1 1 1 8  2  46 o 9  4.34968e+01 1.03468e+01 1.28234e+02 290.134 9.03038e-01  -2.46309e+00 0.00000e+00 0.00000e+00 5.03610e+01 110.134 1.78595e+02 110.134 0.7778 
1 1 1 8  2  47 o 3  4.76846e+01 1.04832e+01 7.26751e+01 297.016 9.60431e-01  -1.88365e+00 0.00000e+00 0.00000e+00 5.56567e+00 297.016 6.71095e+01 117.016 0.7157 
1 1 1 8  2  48 o 2  1.22868e+02 4.76829e+00 1.40100e+02 28.885  9.99879e+00  5.51629e+00  0.00000e+00 0.00000e+00 1.27858e+02 28.885  1.22419e+01 208.885 0.9552 
1 1 1 8  2  49 f 0  7.37390e+01 7.26947e+00 1.11433e+02 111.858 -2.01993e+00 5.03535e+00  0.00000e+00 0.00000e+00 3.98628e+01 111.858 7.15703e+01 291.858 0.9024 
1 1 1 8  2  50 o 13 9.53796e+01 5.12827e+00 1.30487e+02 195.405 -8.67819e+00 -2.39120e+00 0.00000e+00 0.00000e+00 7.30808e+01 195.405 5.74057e+01 15.405  0.9427 
1 1 1 8  2  51 o 15 6.61436e+01 7.63085e+00 9.89704e+01 172.276 -5.51274e+00 7.47720e-01  0.00000e+00 0.00000e+00 3.59627e+01 172.276 6.30077e+01 352.276 0.9050 
1 1 1 8  2  52 o 2  1.89019e+02 4.34914e+00 1.66605e+02 184.874 -2.41997e+01 -2.06372e+00 0.00000e+00 0.00000e+00 2.48760e+02 184.874 8.21550e+01 184.874 0.9792 
1 1 1 8  2  53 o 13 8.79211e+01 7.29914e+00 1.15660e+02 328.740 8.34221e+00  -5.06409e+00 0.00000e+00 0.00000e+00 7.04058e+01 328.740 4.52539e+01 148.740 0.9473 
1 1 1 8  2  54 o 11 1.33415e+02 5.22059e+00 8.81744e+01 226.490 -8.97199e+00 -9.45136e+00 0.00000e+00 0.00000e+00 1.96886e+02 226.490 1.08711e+02 226.490 0.9608 
1 1 1 8  2  55 o 3  1.22497e+02 6.41551e+00 1.14925e+02 312.262 1.08325e+01  -1.19207e+01 0.00000e+00 0.00000e+00 1.47644e+02 312.262 3.27196e+01 312.262 0.9684 
1 1 1 8  2  56 o 6  6.71843e+01 8.93888e+00 6.98106e+01 275.381 5.40143e-01  -5.73431e+00 0.00000e+00 0.00000e+00 6.46315e+01 275.381 5.17903e+00 95.381  0.9085 
1 1 1 8  2  57 o 16 1.20993e+02 5.63303e+00 1.50448e+02 133.477 -1.65346e+01 1.74376e+01  0.00000e+00 0.00000e+00 1.09194e+02 133.477 4.12546e+01 313.477 0.9790 
1 1 1 8  2  58 o 3  8.38762e+01 7.54078e+00 9.97431e+01 355.088 1.06665e+01  -9.16767e-01 0.00000e+00 0.00000e+00 7.44404e+01 355.088 2.53027e+01 175.088 0.9521 
1 1 1 8  2  59 f 0  1.15165e+02 5.66159e+00 9.70541e+01 81.935  2.43073e+00  1.71550e+01  0.00000e+00 0.00000e+00 1.45555e+02 81.935  4.85004e+01 81.935  0.9707 
1 1 1 8  2  60 o 18 1.26355e+02 5.75529e+00 1.06177e+02 119.747 -1.00280e+01 1.75474e+01  0.00000e+00 0.00000e+00 1.59798e+02 119.747 5.36209e+01 119.747 0.9749 
1 1 1 8  2  61 o 15 5.87935e+01 1.03936e+01 4.37677e+01 260.349 -6.49273e-01 -3.81816e+00 0.00000e+00 0.00000e+00 6.46377e+01 260.349 2.08700e+01 260.349 0.8585 
1 1 1 8  2  62 o 4  6.21030e+01 9.70773e+00 8.01532e+01 179.678 -7.54185e+00 4.24237e-02  0.00000e+00 0.00000e+00 4.33909e+01 179.678 3.67623e+01 359.678 0.9311 
1 1 1 8  2  63 o 11 1.39920e+02 1.13079e+01 1.38209e+02 147.289 -2.70564e+01 1.73772e+01  0.00000e+00 0.00000e+00 1.54460e+02 147.289 1.62514e+01 147.289 0.9843 
1 1 1 8  2  64 o 13 6.28997e+01 1.04449e+01 7.06258e+01 228.563 -5.61617e+00 -6.36193e+00 0.00000e+00 0.00000e+00 5.42086e+01 228.563 1.64172e+01 48.563  0.9391 
1 1 1 8  2  65 o 12 1.14819e+02 6.97682e+00 1.00325e+02 291.183 9.83105e+00  -2.53678e+01 0.00000e+00 0.00000e+00 1.36507e+02 291.183 3.61817e+01 291.183 0.9814 
1 1 1 8  2  66 o 6  3.44969e+01 1.04738e+01 4.71925e+01 112.755 -1.30294e+00 3.10634e+00  0.00000e+00 0.00000e+00 1.29273e+01 112.755 3.42652e+01 292.755 0.8339 
1 1 1 8  3  0  o 15 4.99672e+02 5.29749e+00 7.57094e+02 0.000   2.84271e+01  0.00000e+00  0.00000e+00 0.00000e+00 5.03888e+02 0.000   2.53206e+02 180.000 1.0000 
1 1 1 8  3  1  o 1  2.11275e+02 2.55368e+00 3.84652e+02 282.555 2.65554e+00  -1.19239e+01 0.00000e+00 0.00000e+00 1.26191e+02 282.555 2.58461e+02 102.555 0.9582 
1 1 1 8  3  2  o 18 1.99135e+02 2.62462e+00 3.75014e+02 18.455  1.06087e+01  3.54037e+00  0.00000e+00 0.00000e+00 1.04421e+02 18.455  2.70593e+02 198.455 0.9542 
1 1 1 8  3  3  o 9  1.48504e+02 2.91309e+00 1.74142e+02 71.372  1.22934e+00  3.64693e+00  0.00000e+00 0.00000e+00 1.47072e+02 71.372  2.70702e+01 251.372 0.8574 
1 1 1 8  3  4  f 0  8.26887e+01 4.24438e+00 3.26345e+02 337.996 3.68620e+00  -1.48962e+00 0.00000e+00 0.00000e+00 1.46470e+02 157.996 4.72814e+02 157.996 0.8626 
1 1 1 8  3  5  o 18 3.73352e+02 2.95326e+00 5.92808e+02 133.623 -2.23043e+01 2.34026e+01  0.00000e+00 0.00000e+00 3.33701e+02 133.623 2.59107e+02 313.623 0.9844 
1 1 1 8  3  6  o 7  4.16494e+02 3.12664e+00 4.62078e+02 254.594 -7.37548e+00 -2.67663e+01 0.00000e+00 0.00000e+00 5.68285e+02 254.594 1.06207e+02 254.594 0.9818 
1 1 1 8  3  7  o 13 2.58428e+02 2.72222e+00 2.70888e+02 323.581 8.01764e+00  -5.91512e+00 0.00000e+00 0.00000e+00 3.46331e+02 323.581 7.54439e+01 323.581 0.9484 
1 1 1 8  3  8  f 0  1.49893e+02 3.02784e+00 2.39746e+02 192.142 -5.50243e+00 -1.18386e+00 0.00000e+00 0.00000e+00 1.02086e+02 192.142 1.37660e+02 12.142  0.9062 
1 1 1 8  3  9  o 6  7.81577e+01 5.16956e+00 4.63534e+01 217.387 -4.41474e-01 -3.37373e-01 0.00000e+00 0.00000e+00 6.24706e+00 217.387 4.01063e+01 37.387  0.2676 
1 1 1 8  3  10 o 17 4.49469e+02 3.54084e+00 5.45868e+02 112.590 -1.42254e+01 3.41912e+01  0.00000e+00 0.00000e+00 5.68182e+02 112.590 2.23138e+01 112.590 0.9864 
1 1 1 8  3  11 o 13 5.36616e+01 7.30784e+00 2.20210e+02 153.004 -1.54668e+00 7.87929e-01  0.00000e+00 0.00000e+00 1.32745e+02 333.004 3.52955e+02 333.004 0.6493 
1 1 1 8  3  12 f 0  1.79799e+02 3.20363e+00 4.98314e+01 43.140  1.09138e+00  1.02272e+00  0.00000e+00 0.00000e+00 2.18502e+02 43.140  1.68671e+02 43.140  0.5951 
1 1 1 8  3  13 o 1  2.38267e+02 2.72439e+00 3.39419e+02 187.888 -1.31058e+01 -1.81586e+00 0.00000e+00 0.00000e+00 2.34486e+02 187.888 1.04932e+02 7.888   0.9614 
1 1 1 8  3  14 o 14 3.55472e+02 3.14404e+00 3.23377e+02 243.339 -1.04412e+01 -2.07958e+01 0.00000e+00 0.00000e+00 5.46818e+02 243.339 2.23441e+02 243.339 0.9783 
1 1 1 8  3  15 o 12 1.59341e+02 2.97853e+00 2.92038e+02 145.880 -7.62119e+00 5.16375e+00  0.00000e+00 0.00000e+00 8.38977e+01 145.880 2.08140e+02 325.880 0.9440 
1 1 1 8  3  16 f 0  1.66191e+02 2.86568e+00 3.87954e+02 303.134 6.81218e+00  -1.04363e+01 0.00000e+00 0.00000e+00 9.83717e+00 303.134 3.78117e+02 123.134 0.9590 
1 1 1 8  3  17 f 0  3.13613e+02 2.87553e+00 4.17929e+02 55.142  1.25173e+01  1.79712e+01  0.00000e+00 0.00000e+00 3.45645e+02 55.142  7.22844e+01 235.142 0.9769 
1 1 1 8  3  18 o 10 9.76509e+01 3.89873e+00 1.24700e+02 160.723 -1.87682e+00 6.56403e-01  0.00000e+00 0.00000e+00 4.43983e+01 160.723 8.03022e+01 340.723 0.6958 
1 1 1 8  3  19 o 11 3.62142e+02 3.59011e+00 4.11318e+02 350.997 2.29298e+01  -3.63299e+00 0.00000e+00 0.00000e+00 4.68870e+02 350.997 5.75528e+01 350.997 0.9782 
1 1 1 8  3  20 o 17 3.85427e+02 3.27502e+00 5.01721e+02 44.998  2.49165e+01  2.49150e+01  0.00000e+00 0.00000e+00 4.40644e+02 44.998  6.10768e+01 224.998 0.9857 
1 1 1 8  3  21 o 14 4.18812e+02 3.41651e+00 6.52757e+02 298.306 2.30008e+01  -4.27069e+01 0.00000e+00 0.00000e+00 3.73501e+02 298.306 2.79256e+02 118.306 0.9896 
1 1 1 8  3  22 o 16 1.91636e+02 3.56535e+00 2.39199e+02 18.595  7.39090e+00  2.48660e+00  0.00000e+00 0.00000e+00 2.02923e+02 18.595  3.62760e+01 198.595 0.9335 
1 1 1 8  3  23 o 6  1.14913e+02 4.06491e+00 5.93209e+01 42.177  7.16532e-01  6.49197e-01  0.00000e+00 0.00000e+00 6.38498e+01 42.177  4.52886e+00 42.177  0.4345 
1 1 1 8  3  24 o 10 3.81723e+02 3.24022e+00 4.67546e+02 300.764 1.25786e+01  -2.11310e+01 0.00000e+00 0.00000e+00 4.52827e+02 300.764 1.47191e+01 120.764 0.9795 
1 1 1 8  3  25 o 11 2.73857e+02 3.51174e+00 4.08297e+02 351.190 1.80821e+01  -2.80258e+00 0.00000e+00 0.00000e+00 2.45780e+02 351.190 1.62517e+02 171.190 0.9723 
1 1 1 8  3  26 o 15 1.39371e+02 3.61908e+00 2.15165e+02 124.144 -2.27100e+00 3.34866e+00  0.00000e+00 0.00000e+00 8.04215e+01 124.144 1.34744e+02 304.144 0.8653 
1 1 1 8  3  27 o 19 2.72735e+02 3.43996e+00 3.82866e+02 190.229 -1.34267e+01 -2.42294e+00 0.00000e+00 0.00000e+00 2.59177e+02 190.229 1.23688e+02 10.229  0.9626 
1 1 1 8  3  28 f 0  2.21453e+02 3.13863e+00 1.92603e+02 102.486 -1.54495e+00 6.97699e+00  0.00000e+00 0.00000e+00 3.08304e+02 102.486 1.15701e+02 102.486 0.9271 
1 1 1 8  3  29 o 13 1.62476e+02 3.40347e+00 1.64363e+02 289.332 1.37576e+00  -3.92160e+00 0.00000e+00 0.00000e+00 1.79359e+02 289.332 1.49960e+01 289.332 0.8693 
1 1 1 8  3  30 o 2  4.44330e+02 3.77671e+00 5.58314e+02 168.816 -4.54020e+01 8.97679e+00  0.00000e+00 0.00000e+00 5.08588e+02 168.816 4.97255e+01 348.816 0.9891 
1 1 1 8  3  31 o 11 4.30929e+02 4.73705e+00 4.22370e+02 21.886  3.46017e+01  1.38999e+01  0.00000e+00 0.00000e+00 6.06883e+02 21.886  1.84514e+02 21.886  0.9865 
1 1 1 8  3  32 o 16 3.46864e+02 3.40383e+00 3.91943e+02 308.985 1.71394e+01  -2.11771e+01 0.00000e+00 0.00000e+00 4.30067e+02 308.985 3.81234e+01 308.985 0.9815 
1 1 1 8  3  33 o 4  1.53512e+02 3.65151e+00 6.64636e+01 344.782 2.03911e+00  -5.54685e-01 0.00000e+00 0.00000e+00 1.98011e+02 344.782 1.31548e+02 344.782 0.7155 
1 1 1 8  3  34 o 17 1.30255e+02 1.87772e+01 1.63259e+02 277.277 5.50302e-01  -4.30976e+00 0.00000e+00 0.00000e+00 1.10556e+02 277.277 5.27032e+01 97.277  0.8756 
1 1 1 8  3  35 o 11 3.40876e+02 3.75563e+00 4.19854e+02 354.150 3.28751e+01  -3.36817e+00 0.00000e+00 0.00000e+00 3.83667e+02 354.150 3.61875e+01 174.150 0.9848 
1 1 1 8  3  36 o 18 4.19897e+01 8.17034e+00 3.28560e+01 88.325  1.01405e-02  3.46813e-01  0.00000e+00 0.00000e+00 1.57289e+01 268.325 4.85849e+01 268.325 0.1709 
1 1 1 8  3  38 o 3  2.86191e+01 8.67523e+00 1.07122e+01 259.445 -1.64377e-02 -8.82161e-02 0.00000e+00 0.00000e+00 7.67051e+00 79.445  1.83827e+01 79.445  0.0448 
1 1 1 8  3  39 o 8  3.46342e+02 3.05306e+00 3.51247e+02 221.699 -3.10928e+01 -2.77017e+01 0.00000e+00 0.00000e+00 4.57393e+02 221.699 1.06145e+02 221.699 0.9879 
1 1 1 8  3  40 o 14 3.16627e+02 3.41064e+00 1.90126e+02 162.431 -1.82103e+01 5.76573e+00  0.00000e+00 0.00000e+00 5.35839e+02 162.431 3.45713e+02 162.431 0.9735 
1 1 1 8  3  41 o 3  1.22326e+02 4.39433e+00 2.44755e+02 180.576 -1.17066e+01 -1.17764e-01 0.00000e+00 0.00000e+00 2.98050e+01 180.576 2.14950e+02 0.576   0.9563 
1 1 1 8  3  42 o 8  2.69663e+02 3.59962e+00 2.32462e+02 283.425 6.41397e+00  -2.68704e+01 0.00000e+00 0.00000e+00 3.86679e+02 283.425 1.54218e+02 283.425 0.9817 
1 1 1 8  3  43 o 13 1.31378e+02 4.29238e+00 7.34101e+01 351.362 4.07144e+00  -6.18507e-01 0.00000e+00 0.00000e+00 1.92286e+02 351.362 1.18876e+02 351.362 0.8679 
1 1 1 8  3  44 o 18 1.27910e+02 5.06512e+00 8.05926e+01 148.501 -3.68926e+00 2.26073e+00  0.00000e+00 0.00000e+00 1.79227e+02 148.501 9.86345e+01 148.501 0.8750 
1 1 1 8  3  45 o 6  7.93540e+01 6.90378e+00 9.19823e+01 46.446  2.65897e+00  2.79669e+00  0.00000e+00 0.00000e+00 6.54440e+01 46.446  2.65383e+01 226.446 0.8579 
1 1 1 8  3  46 o 18 1.06316e+02 5.51124e+00 7.08233e+01 95.230  -3.33713e-01 3.64542e+00  0.00000e+00 0.00000e+00 1.37111e+02 95.230  6.62878e+01 95.230  0.8491 
1 1 1 8  3  47 o 12 3.84009e+02 3.68442e+00 3.70099e+02 280.344 1.65548e+01  -9.06970e+01 0.00000e+00 0.00000e+00 5.06118e+02 280.344 1.36019e+02 280.344 0.9946 
1 1 1 8  3  48 o 2  1.18196e+02 4.87121e+00 9.12942e+01 298.734 3.48559e+00  -6.35749e+00 0.00000e+00 0.00000e+00 1.59384e+02 298.734 6.80897e+01 298.734 0.9282 
1 1 1 8  3  49 f 0  1.13862e+02 5.03204e+00 1.20586e+02 271.900 3.04450e-01  -9.17922e+00 0.00000e+00 0.00000e+00 1.23948e+02 271.900 3.36202e+00 271.900 0.9439 
1 1 1 8  3  50 o 8  6.20736e+01 7.65907e+00 2.95652e+01 24.185  1.14209e+00  5.12905e-01  0.00000e+00 0.00000e+00 4.47724e+01 24.185  1.52073e+01 24.185  0.5286 
1 1 1 8  3  51 o 2  1.01777e+02 4.47079e+00 7.96927e+01 326.770 5.94186e+00  -3.89274e+00 0.00000e+00 0.00000e+00 1.33058e+02 326.770 5.33653e+01 326.770 0.9267 
1 1 1 8  3  52 f 0  5.61576e+01 7.61028e+00 7.29710e+01 114.282 -1.56831e+00 3.47634e+00  0.00000e+00 0.00000e+00 3.49800e+01 114.282 3.79910e+01 294.282 0.8560 
1 1 1 8  3  53 o 5  5.27483e+01 7.77684e+00 7.20615e+01 190.539 -3.53458e+00 -6.57594e-01 0.00000e+00 0.00000e+00 2.76947e+01 190.539 4.43668e+01 10.539  0.8459 
1 1 1 8  3  54 f 0  1.73701e+02 4.04855e+00 1.18609e+02 304.626 1.30567e+01  -1.89086e+01 0.00000e+00 0.00000e+00 2.59427e+02 304.626 1.40817e+02 304.626 0.9780 
1 1 1 8  3  56 o 15 5.91422e+01 7.30889e+00 5.21700e+01 41.576  2.92183e+00  2.59189e+00  0.00000e+00 0.00000e+00 5.99200e+01 41.576  7.75000e+00 41.576  0.8598 
1 1 1 8  3  57 o 7  2.90997e+01 8.26254e+00 1.19856e+01 291.309 1.52246e-01  -3.90299e-01 0.00000e+00 0.00000e+00 1.10053e+00 291.309 1.08850e+01 111.310 0.2050 
1 1 1 8  3  58 o 4  6.06340e+01 6.62777e+00 2.34338e+01 294.415 7.98416e-01  -1.75888e+00 0.00000e+00 0.00000e+00 6.73857e+01 294.415 4.39519e+01 294.415 0.6862 
1 1 1 8  3  59 o 10 7.68604e+01 8.92313e+00 1.01044e+02 144.966 -9.07863e+00 6.36495e+00  0.00000e+00 0.00000e+00 5.81622e+01 144.966 4.28819e+01 324.966 0.9538 
1 1 1 8  3  60 o 18 6.43051e+01 1.04857e+01 5.34739e+01 91.104  -8.82619e-02 4.58010e+00  0.00000e+00 0.00000e+00 6.91626e+01 91.104  1.56887e+01 91.104  0.8827 
1 1 1 8  3  61 o 18 9.81407e+01 6.73844e+00 9.78673e+01 47.153  1.08447e+01  1.16921e+01  0.00000e+00 0.00000e+00 1.06349e+02 47.153  8.48216e+00 47.153  0.9681 
1 1 1 8  3  62 o 6  1.31400e+02 6.14283e+00 1.27901e+02 97.751  -4.16910e+00 3.06293e+01  0.00000e+00 0.00000e+00 1.48450e+02 97.751  2.05491e+01 97.751  0.9837 
1 1 1 8  3  63 o 8  5.08495e+01 1.16741e+01 4.29184e+01 36.648  3.00240e+00  2.23367e+00  0.00000e+00 0.00000e+00 4.92985e+01 36.648  6.38010e+00 36.648  0.8528 
1 1 1 8  3  64 o 14 6.84151e+01 1.12715e+01 8.26540e+01 199.565 -9.81554e+00 -3.48833e+00 0.00000e+00 0.00000e+00 5.49058e+01 199.565 2.77482e+01 19.565  0.9507 
1 1 1 8  3  65 o 9  6.41328e+01 1.12198e+01 3.48952e+01 245.516 -1.83097e+00 -4.02075e+00 0.00000e+00 0.00000e+00 8.35131e+01 245.516 4.86179e+01 245.516 0.8779 
1 1 1 8  3  66 o 18 6.14548e+01 1.02623e+01 6.35668e+01 290.928 2.90320e+00  -7.59151e+00 0.00000e+00 0.00000e+00 5.67664e+01 290.928 6.80040e+00 110.928 0.9363 
1 1 1 8  4  0  o 1  2.91500e+02 4.12391e+00 3.39724e+02 0.000   7.08823e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.96642e+02 0.000   5.69185e+01 0.000   1.0000 
1 1 1 8  4  1  o 18 2.06143e+02 2.77003e+00 2.88641e+02 323.454 6.83679e+00  -5.06750e+00 0.00000e+00 0.00000e+00 2.00455e+02 323.454 8.81856e+01 143.454 0.9393 
1 1 1 8  4  2  o 6  3.91326e+02 3.10296e+00 4.95114e+02 236.845 -1.51023e+01 -2.31181e+01 0.00000e+00 0.00000e+00 4.75190e+02 236.845 1.99235e+01 56.845  0.9817 
1 1 1 8  4  3  o 18 2.32212e+02 2.59140e+00 3.75244e+02 212.131 -1.04676e+01 -6.57422e+00 0.00000e+00 0.00000e+00 1.86882e+02 212.131 1.88363e+02 32.131  0.9587 
1 1 1 8  4  4  o 12 1.75480e+02 2.68420e+00 2.45720e+02 259.951 -1.18472e+00 -6.68530e+00 0.00000e+00 0.00000e+00 1.63196e+02 259.951 8.25235e+01 79.951  0.9231 
1 1 1 8  4  5  o 5  1.17815e+02 3.21551e+00 1.90863e+02 254.502 -9.36598e-01 -3.37769e+00 0.00000e+00 0.00000e+00 5.92726e+01 254.502 1.31590e+02 74.502  0.8414 
1 1 1 8  4  6  o 8  3.34524e+02 2.80428e+00 5.14298e+02 330.033 2.29838e+01  -1.32520e+01 0.00000e+00 0.00000e+00 3.13385e+02 330.033 2.00913e+02 150.033 0.9810 
1 1 1 8  4  7  o 6  6.85453e+02 4.51458e+00 9.17967e+02 107.075 -2.80592e+01 9.13475e+01  0.00000e+00 0.00000e+00 8.00855e+02 107.075 1.17111e+02 287.075 0.9948 
1 1 1 8  4  8  o 12 1.54514e+02 3.11280e+00 3.05820e+02 141.007 -5.50972e+00 4.46057e+00  0.00000e+00 0.00000e+00 5.48208e+01 141.007 2.50999e+02 321.007 0.9265 
1 1 1 8  4  9  f 0  1.63754e+02 2.81673e+00 2.37365e+02 210.751 -5.67891e+00 -3.37876e+00 0.00000e+00 0.00000e+00 1.42239e+02 210.751 9.51254e+01 30.751  0.9209 
1 1 1 8  4  10 o 7  1.86842e+02 2.69793e+00 2.37338e+02 121.522 -3.87723e+00 6.32155e+00  0.00000e+00 0.00000e+00 1.99675e+02 121.522 3.76632e+01 301.522 0.9299 
1 1 1 8  4  11 o 9  3.70338e+02 3.45005e+00 5.94285e+02 318.433 2.70357e+01  -2.39754e+01 0.00000e+00 0.00000e+00 3.23397e+02 318.433 2.70889e+02 138.433 0.9861 
1 1 1 8  4  12 o 1  4.12374e+02 3.30592e+00 5.27871e+02 295.981 1.53797e+01  -3.15596e+01 0.00000e+00 0.00000e+00 4.92536e+02 295.981 3.53357e+01 115.981 0.9857 
1 1 1 8  4  13 f 0  3.14902e+02 3.15036e+00 4.30666e+02 124.831 -1.54849e+01 2.22540e+01  0.00000e+00 0.00000e+00 3.44337e+02 124.831 8.63289e+01 304.831 0.9814 
1 1 1 8  4  14 o 17 2.05586e+02 2.77258e+00 2.18292e+02 89.880  1.83706e-02  8.79146e+00  0.00000e+00 0.00000e+00 2.66434e+02 89.880  4.81413e+01 89.880  0.9413 
1 1 1 8  4  15 o 18 2.87543e+02 2.74012e+00 3.40617e+02 136.601 -1.20685e+01 1.14121e+01  0.00000e+00 0.00000e+00 3.56735e+02 136.601 1.61177e+01 136.601 0.9694 
1 1 1 8  4  16 f 0  1.13913e+02 3.64953e+00 1.51184e+02 247.799 -1.08044e+00 -2.64738e+00 0.00000e+00 0.00000e+00 7.62176e+01 247.799 7.49667e+01 67.799  0.7990 
1 1 1 8  4  17 o 13 1.84697e+02 2.97739e+00 2.17619e+02 205.666 -5.76298e+00 -2.76930e+00 0.00000e+00 0.00000e+00 2.05418e+02 205.666 1.22012e+01 25.666  0.9181 
1 1 1 8  4  18 o 14 1.87637e+02 2.89274e+00 2.12472e+02 129.295 -3.92785e+00 4.79972e+00  0.00000e+00 0.00000e+00 2.15396e+02 129.295 2.92346e+00 129.295 0.9154 
1 1 1 8  4  19 o 7  3.00123e+02 2.89781e+00 4.01105e+02 335.519 1.99391e+01  -9.07899e+00 0.00000e+00 0.00000e+00 3.28090e+02 335.519 7.30148e+01 155.519 0.9769 
1 1 1 8  4  20 o 16 3.81707e+02 3.33912e+00 4.53403e+02 128.287 -1.90241e+01 2.41001e+01  0.00000e+00 0.00000e+00 4.78778e+02 128.287 2.53752e+01 128.287 0.9836 
1 1 1 8  4  21 o 7  6.00096e+02 4.20031e+00 5.77262e+02 1.598   5.88965e+01  1.64321e+00  0.00000e+00 0.00000e+00 8.97415e+02 1.598   3.20153e+02 1.598   0.9915 
1 1 1 8  4  22 o 4  6.83699e+01 5.88333e+00 1.82567e+02 355.431 1.76315e+00  -1.40900e-01 0.00000e+00 0.00000e+00 7.16253e+01 175.431 2.54192e+02 175.431 0.6559 
1 1 1 8  4  23 o 3  7.07970e+02 5.63455e+00 7.65115e+02 151.239 -6.54221e+01 3.59078e+01  0.00000e+00 0.00000e+00 9.71207e+02 151.239 2.06092e+02 151.239 0.9933 
1 1 1 8  4  24 o 4  3.96951e+02 3.49697e+00 3.71470e+02 63.334  1.08802e+01  2.16653e+01  0.00000e+00 0.00000e+00 5.86280e+02 63.334  2.14810e+02 63.334  0.9792 
1 1 1 8  4  25 o 19 7.16151e+02 5.03251e+00 8.92619e+02 290.841 3.08072e+01  -8.09277e+01 0.00000e+00 0.00000e+00 8.58150e+02 290.841 3.44683e+01 110.841 0.9942 
1 1 1 8  4  26 o 15 4.97488e+02 4.02404e+00 5.04854e+02 157.896 -3.05991e+01 1.24274e+01  0.00000e+00 0.00000e+00 6.97123e+02 157.896 1.92269e+02 157.896 0.9847 
1 1 1 8  4  27 o 6  5.95058e+02 4.53873e+00 7.88848e+02 14.199  7.67201e+01  1.94112e+01  0.00000e+00 0.00000e+00 6.58578e+02 14.199  1.30270e+02 194.199 0.9937 
1 1 1 8  4  28 o 16 1.31992e+02 4.07633e+00 1.57126e+02 12.149  3.18235e+00  6.85093e-01  0.00000e+00 0.00000e+00 1.09520e+02 12.149  4.76065e+01 192.149 0.8272 
1 1 1 8  4  29 o 17 2.50772e+02 3.37857e+00 3.52545e+02 136.322 -1.20623e+01 1.15182e+01  0.00000e+00 0.00000e+00 2.39760e+02 136.322 1.12785e+02 316.322 0.9695 
1 1 1 8  4  30 o 11 3.40308e+02 3.31610e+00 3.75381e+02 60.221  1.31739e+01  2.30222e+01  0.00000e+00 0.00000e+00 4.35805e+02 60.221  6.04247e+01 60.221  0.9810 
1 1 1 8  4  31 o 8  2.89545e+02 3.17308e+00 3.04525e+02 266.582 -1.06666e+00 -1.78606e+01 0.00000e+00 0.00000e+00 3.77300e+02 266.582 7.27757e+01 266.582 0.9716 
1 1 1 8  4  32 f 0  1.90762e+02 4.22043e+00 7.65230e+01 241.124 -1.47680e+00 -2.67786e+00 0.00000e+00 0.00000e+00 2.98873e+02 241.124 2.22350e+02 241.124 0.8142 
1 1 1 8  4  33 f 0  1.77057e+02 3.31401e+00 2.36098e+02 55.139  5.39834e+00  7.74956e+00  0.00000e+00 0.00000e+00 1.67377e+02 55.139  6.87206e+01 235.139 0.9455 
1 1 1 8  4  34 o 7  3.46090e+02 3.26814e+00 3.64528e+02 261.633 -4.30454e+00 -2.92664e+01 0.00000e+00 0.00000e+00 4.53029e+02 261.633 8.85008e+01 261.633 0.9829 
1 1 1 8  4  35 o 6  3.37654e+02 3.15673e+00 4.64686e+02 40.400  3.10265e+01  2.64053e+01  0.00000e+00 0.00000e+00 3.34376e+02 40.400  1.30310e+02 220.400 0.9877 
1 1 1 8  4  36 o 4  4.98582e+02 3.89162e+00 6.17909e+02 138.568 -6.16096e+01 5.43776e+01  0.00000e+00 0.00000e+00 5.65824e+02 138.568 5.20851e+01 318.568 0.9939 
1 1 1 8  4  37 o 12 1.52198e+02 4.24595e+00 2.38540e+02 210.437 -9.49472e+00 -5.57880e+00 0.00000e+00 0.00000e+00 1.07016e+02 210.437 1.31524e+02 30.437  0.9535 
1 1 1 8  4  38 o 4  2.85676e+02 3.46786e+00 2.95198e+02 298.798 1.41142e+01  -2.56752e+01 0.00000e+00 0.00000e+00 3.71203e+02 298.798 7.60049e+01 298.798 0.9828 
1 1 1 8  4  39 o 11 5.11281e+01 1.00494e+01 1.14341e+02 315.075 1.29151e+00  -1.28814e+00 0.00000e+00 0.00000e+00 3.37053e+01 135.075 1.48046e+02 135.075 0.6667 
1 1 1 8  4  41 o 19 2.70944e+02 3.44698e+00 3.67794e+02 108.753 -1.23821e+01 3.64703e+01  0.00000e+00 0.00000e+00 2.60451e+02 108.753 1.07343e+02 288.753 0.9869 
1 1 1 8  4  42 o 19 1.03583e+02 5.93553e+00 1.82425e+02 151.333 -7.14325e+00 3.90550e+00  0.00000e+00 0.00000e+00 4.46460e+01 151.333 1.37779e+02 331.333 0.9364 
1 1 1 8  4  43 o 9  1.38937e+02 4.10585e+00 1.47157e+02 204.311 -7.99704e+00 -3.61261e+00 0.00000e+00 0.00000e+00 1.57844e+02 204.311 1.06877e+01 204.311 0.9412 
1 1 1 8  4  44 f 0  1.56373e+02 3.66095e+00 1.40708e+02 294.318 4.28163e+00  -9.47489e+00 0.00000e+00 0.00000e+00 2.04718e+02 294.318 6.40101e+01 294.318 0.9506 
1 1 1 8  4  45 o 6  1.90131e+02 3.18563e+00 2.41280e+02 312.539 1.65707e+01  -1.80593e+01 0.00000e+00 0.00000e+00 1.89765e+02 312.539 5.15152e+01 132.539 0.9794 
1 1 1 8  4  46 o 5  1.80434e+02 3.99127e+00 1.99008e+02 277.553 3.11145e+00  -2.34661e+01 0.00000e+00 0.00000e+00 2.08144e+02 277.553 9.13635e+00 277.553 0.9786 
1 1 1 8  4  47 o 7  1.69911e+02 4.08099e+00 1.57623e+02 297.715 8.38506e+00  -1.59609e+01 0.00000e+00 0.00000e+00 2.21602e+02 297.715 6.39787e+01 297.715 0.9719 
1 1 1 8  4  48 o 19 2.69867e+02 3.84560e+00 2.72616e+02 90.967  -8.53046e-01 5.05227e+01  0.00000e+00 0.00000e+00 3.38468e+02 90.967  6.58527e+01 90.967  0.9901 
1 1 1 8  4  49 o 13 1.90291e+02 4.00906e+00 2.33322e+02 219.248 -2.53565e+01 -2.07155e+01 0.00000e+00 0.00000e+00 1.93411e+02 219.248 3.99110e+01 39.248  0.9846 
1 1 1 8  4  50 o 11 1.85323e+02 4.58240e+00 1.94451e+02 114.935 -1.05588e+01 2.27107e+01  0.00000e+00 0.00000e+00 2.17360e+02 114.935 2.29090e+01 114.935 0.9798 
1 1 1 8  4  51 o 19 9.66326e+01 5.31802e+00 8.69761e+01 180.170 -6.50568e+00 -1.92878e-02 0.00000e+00 0.00000e+00 1.13671e+02 180.170 2.66948e+01 180.170 0.9196 
1 1 1 8  4  52 o 19 2.37907e+02 3.58420e+00 2.11168e+02 314.949 3.60439e+01  -3.61082e+01 0.00000e+00 0.00000e+00 3.18382e+02 314.949 1.07214e+02 314.949 0.9902 
1 1 1 8  4  53 f 0  1.01959e+02 4.96910e+00 1.26389e+02 4.129   1.20649e+01  8.70906e-01  0.00000e+00 0.00000e+00 9.21353e+01 4.129   3.42533e+01 184.129 0.9577 
1 1 1 8  4  54 o 18 6.28654e+01 7.43385e+00 9.55163e+01 344.488 6.58112e+00  -1.82657e+00 0.00000e+00 0.00000e+00 3.38179e+01 344.488 6.16984e+01 164.488 0.9236 
1 1 1 8  4  55 o 9  1.16058e+02 5.34746e+00 1.16440e+02 221.742 -9.19320e+00 -8.20296e+00 0.00000e+00 0.00000e+00 1.30198e+02 221.742 1.37578e+01 221.742 0.9585 
1 1 1 8  4  56 o 17 4.43681e+01 8.47253e+00 1.68317e+01 85.237  7.83047e-02  9.39716e-01  0.00000e+00 0.00000e+00 2.48552e+01 85.237  8.02346e+00 85.237  0.4258 
1 1 1 8  4  57 o 17 4.54368e+01 8.51791e+00 3.46485e+01 286.208 5.57022e-01  -1.91633e+00 0.00000e+00 0.00000e+00 3.48962e+01 286.208 2.47702e-01 286.208 0.6971 
1 1 1 8  4  58 f 0  1.62827e+02 3.58329e+00 1.29125e+02 138.944 -2.24000e+01 1.95105e+01  0.00000e+00 0.00000e+00 2.20596e+02 138.944 9.14719e+01 138.944 0.9830 
1 1 1 8  4  59 o 12 1.97618e+02 3.59522e+00 1.77185e+02 45.073  3.96692e+01  3.97706e+01  0.00000e+00 0.00000e+00 2.48578e+02 45.073  7.13929e+01 45.073  0.9911 
1 1 1 8  4  60 o 18 1.34478e+02 3.97707e+00 1.24811e+02 230.594 -1.91216e+01 -2.32737e+01 0.00000e+00 0.00000e+00 1.61166e+02 230.594 3.63557e+01 230.594 0.9833 
1 1 1 8  4  61 o 3  7.10614e+01 6.85145e+00 5.26464e+01 126.285 -3.68289e+00 5.01643e+00  0.00000e+00 0.00000e+00 8.73539e+01 126.285 3.47075e+01 126.285 0.9157 
1 1 1 8  4  62 o 12 1.02477e+02 4.97928e+00 9.68581e+01 262.904 -2.29705e+00 -1.84532e+01 0.00000e+00 0.00000e+00 1.16476e+02 262.904 1.96175e+01 262.904 0.9727 
1 1 1 8  4  63 o 19 6.10648e+01 6.62087e+00 5.91497e+01 282.581 1.61137e+00  -7.21995e+00 0.00000e+00 0.00000e+00 6.16993e+01 282.581 2.54967e+00 282.581 0.9297 
1 1 1 8  4  64 o 5  3.30433e+01 8.67591e+00 3.67296e+00 323.881 1.99597e-01  -1.45651e-01 0.00000e+00 0.00000e+00 4.90401e+00 323.881 1.23106e+00 323.881 0.1226 
1 1 1 8  4  65 o 8  2.70424e+01 7.95215e+00 2.65042e+01 11.433  1.65989e+00  3.35692e-01  0.00000e+00 0.00000e+00 9.95756e+00 11.433  1.65467e+01 191.433 0.6405 
1 1 1 8  4  66 o 8  8.74616e+01 8.69412e+00 8.09596e+01 112.902 -6.88097e+00 1.62881e+01  0.00000e+00 0.00000e+00 9.68760e+01 112.902 1.59164e+01 112.902 0.9713 
1 1 1 8  5  0  o 5  1.35172e+02 4.13909e+00 5.30959e-01 180.000 -5.42915e-03 0.00000e+00  0.00000e+00 0.00000e+00 1.32524e+00 180.000 7.94276e-01 180.000 0.0054 
1 1 1 8  5  1  o 3  2.04994e+02 2.56504e+00 3.02106e+02 204.383 -8.52895e+00 -3.86587e+00 0.00000e+00 0.00000e+00 1.87855e+02 204.383 1.14252e+02 24.383  0.9450 
1 1 1 8  5  2  o 16 2.92559e+02 2.66864e+00 5.05776e+02 106.837 -6.46165e+00 2.13522e+01  0.00000e+00 0.00000e+00 2.17307e+02 106.837 2.88469e+02 286.837 0.9773 
1 1 1 8  5  3  o 3  2.70843e+02 3.33166e+00 4.51240e+02 5.626   1.82381e+01  1.79678e+00  0.00000e+00 0.00000e+00 2.14599e+02 5.626   2.36641e+02 185.626 0.9723 
1 1 1 8  5  4  o 4  2.06209e+02 2.60019e+00 2.17439e+02 16.476  6.41154e+00  1.89626e+00  0.00000e+00 0.00000e+00 2.63045e+02 16.476  4.56062e+01 16.476  0.9218 
1 1 1 8  5  5  o 4  1.44794e+02 2.85157e+00 2.92941e+02 267.284 -3.42020e-01 -7.20883e+00 0.00000e+00 0.00000e+00 4.65169e+01 267.284 2.46424e+02 87.284  0.9279 
1 1 1 8  5  6  o 12 1.83565e+02 2.66473e+00 2.17707e+02 147.977 -5.71098e+00 3.57184e+00  0.00000e+00 0.00000e+00 2.09928e+02 147.977 7.77946e+00 327.977 0.9225 
1 1 1 8  5  7  o 18 3.00170e+02 2.75335e+00 4.34420e+02 201.809 -2.01805e+01 -8.07524e+00 0.00000e+00 0.00000e+00 3.05578e+02 201.809 1.28843e+02 21.809  0.9767 
1 1 1 8  5  8  o 11 1.69915e+02 3.48674e+00 2.40355e+02 186.694 -6.67228e+00 -7.83092e-01 0.00000e+00 0.00000e+00 1.54911e+02 186.694 8.54433e+01 6.694   0.9222 
1 1 1 8  5  9  o 8  7.11005e+01 4.93022e+00 1.57284e+01 340.886 1.71083e-01  -5.92903e-02 0.00000e+00 0.00000e+00 4.30031e-01 340.886 1.52984e+01 160.886 0.0902 
1 1 1 8  5  10 o 17 1.64333e+02 3.14546e+00 3.08163e+02 236.456 -5.65930e+00 -8.53604e+00 0.00000e+00 0.00000e+00 8.49502e+01 236.456 2.23213e+02 56.456  0.9498 
1 1 1 8  5  11 o 10 1.46658e+02 4.12250e+00 6.20953e+01 98.921  -2.80388e-01 1.78628e+00  0.00000e+00 0.00000e+00 1.82791e+02 98.921  1.20696e+02 98.921  0.6636 
1 1 1 8  5  12 o 17 6.19606e+02 4.18443e+00 7.72252e+02 77.574  2.00879e+01  9.11706e+01  0.00000e+00 0.00000e+00 7.76886e+02 77.574  4.63347e+00 77.574  0.9946 
1 1 1 8  5  13 o 15 1.79458e+02 2.93688e+00 1.32148e+02 153.243 -3.59614e+00 1.81313e+00  0.00000e+00 0.00000e+00 2.57441e+02 153.243 1.25293e+02 153.243 0.8646 
1 1 1 8  5  14 o 1  1.28564e+02 3.56052e+00 1.95225e+02 192.304 -4.08934e+00 -8.91895e-01 0.00000e+00 0.00000e+00 8.53981e+01 192.304 1.09827e+02 12.304  0.8703 
1 1 1 8  5  15 o 8  3.15493e+02 3.42212e+00 4.68665e+02 316.524 1.71770e+01  -1.62868e+01 0.00000e+00 0.00000e+00 3.04745e+02 316.524 1.63920e+02 136.524 0.9786 
1 1 1 8  5  16 o 15 1.75552e+02 3.39631e+00 2.01065e+02 165.645 -5.36581e+00 1.37316e+00  0.00000e+00 0.00000e+00 1.96170e+02 165.645 4.89507e+00 345.645 0.9045 
1 1 1 8  5  17 o 1  3.68099e+02 3.20615e+00 3.83855e+02 357.488 2.59950e+01  -1.14030e+00 0.00000e+00 0.00000e+00 5.17819e+02 357.488 1.33964e+02 357.488 0.9806 
1 1 1 8  5  18 o 16 1.69566e+02 3.19969e+00 1.40459e+02 315.095 3.03653e+00  -3.02643e+00 0.00000e+00 0.00000e+00 2.29075e+02 315.095 8.86162e+01 315.095 0.8737 
1 1 1 8  5  19 o 3  4.41287e+02 3.72412e+00 6.18975e+02 179.921 -4.73337e+01 6.48817e-02  0.00000e+00 0.00000e+00 4.68281e+02 179.921 1.50695e+02 359.921 0.9894 
1 1 1 8  5  20 o 17 1.01667e+02 4.05204e+00 3.22073e+02 284.863 1.41698e+00  -5.33939e+00 0.00000e+00 0.00000e+00 9.35157e+01 104.863 4.15589e+02 104.863 0.9043 
1 1 1 8  5  21 o 19 3.65332e+02 3.04796e+00 4.15643e+02 123.533 -1.18592e+01 1.78951e+01  0.00000e+00 0.00000e+00 4.69626e+02 123.533 5.39830e+01 123.533 0.9764 
1 1 1 8  5  22 o 18 4.68955e+02 4.84901e+00 3.66096e+02 43.647  1.70529e+01  1.62661e+01  0.00000e+00 0.00000e+00 7.70633e+02 43.647  4.04537e+02 43.647  0.9785 
1 1 1 8  5  23 o 9  2.88562e+02 2.86810e+00 3.39496e+02 103.654 -3.79208e+00 1.56104e+01  0.00000e+00 0.00000e+00 3.51341e+02 103.654 1.18446e+01 103.654 0.9684 
1 1 1 8  5  24 o 6  2.74904e+02 3.37904e+00 3.00949e+02 2.513   1.11930e+01  4.91263e-01  0.00000e+00 0.00000e+00 3.46302e+02 2.513   4.53527e+01 2.513   0.9543 
1 1 1 8  5  25 o 15 7.72543e+01 5.40122e+00 2.30933e+02 73.501  8.80286e-01  2.97202e+00  0.00000e+00 0.00000e+00 7.55167e+01 253.501 3.06449e+02 253.501 0.8171 
1 1 1 8  5  26 o 16 3.31582e+02 3.78468e+00 5.00000e+02 100.238 -4.97382e+00 2.75385e+01  0.00000e+00 0.00000e+00 2.99897e+02 100.238 2.00103e+02 280.238 0.9820 
1 1 1 8  5  27 o 14 6.62564e+02 4.94427e+00 9.19141e+02 294.216 3.91968e+01  -8.71497e+01 0.00000e+00 0.00000e+00 6.96324e+02 294.216 2.22817e+02 114.216 0.9948 
1 1 1 8  5  28 o 18 4.75107e+02 4.50438e+00 5.62570e+02 130.138 -3.25175e+01 3.85636e+01  0.00000e+00 0.00000e+00 5.87613e+02 130.138 2.50433e+01 130.138 0.9900 
1 1 1 8  5  29 o 4  5.25184e+02 4.77466e+00 6.13891e+02 16.839  6.41158e+01  1.94056e+01  0.00000e+00 0.00000e+00 6.57563e+02 16.839  4.36719e+01 16.839  0.9925 
1 1 1 8  5  30 o 14 6.11817e+02 5.29887e+00 8.48587e+02 330.008 9.12717e+01  -5.26795e+01 0.00000e+00 0.00000e+00 6.32912e+02 330.008 2.15676e+02 150.008 0.9952 
1 1 1 8  5  31 o 12 5.47558e+01 1.04254e+01 1.02424e+02 69.895  3.96939e-01  1.08438e+00  0.00000e+00 0.00000e+00 3.61815e+01 249.895 1.38606e+02 249.895 0.4985 
1 1 1 8  5  32 o 5  1.30156e+02 4.74290e+00 1.48329e+02 272.535 1.74066e-01  -3.93238e+00 0.00000e+00 0.00000e+00 1.22882e+02 272.535 2.54470e+01 92.535  0.8610 
1 1 1 8  5  33 f 0  2.04164e+02 3.50084e+00 2.10657e+02 177.281 -9.46612e+00 4.49601e-01  0.00000e+00 0.00000e+00 2.55280e+02 177.281 4.46236e+01 177.281 0.9457 
1 1 1 8  5  34 f 0  2.13651e+02 3.46819e+00 1.14063e+02 211.852 -4.72928e+00 -2.93827e+00 0.00000e+00 0.00000e+00 3.51246e+02 211.852 2.37183e+02 211.852 0.9051 
1 1 1 8  5  35 o 15 8.03647e+02 5.39777e+00 8.88398e+02 104.211 -4.41667e+01 1.74404e+02  0.00000e+00 0.00000e+00 1.03433e+03 104.211 1.45927e+02 104.211 0.9972 
1 1 1 8  5  36 o 8  2.04701e+02 7.09617e+00 1.56151e+02 311.690 5.47699e+00  -6.14946e+00 0.00000e+00 0.00000e+00 3.02690e+02 311.690 1.46539e+02 311.690 0.9372 
1 1 1 8  5  37 o 6  2.50904e+02 3.15087e+00 1.84013e+02 331.635 1.42754e+01  -7.70729e+00 0.00000e+00 0.00000e+00 3.95480e+02 331.635 2.11467e+02 331.635 0.9687 
1 1 1 8  5  38 o 9  2.99832e+02 3.16804e+00 3.42773e+02 123.545 -1.85442e+01 2.79696e+01  0.00000e+00 0.00000e+00 3.59113e+02 123.545 1.63400e+01 123.545 0.9850 
1 1 1 8  5  40 o 13 2.49937e+02 3.14992e+00 1.58624e+02 180.718 -1.55244e+01 -1.94687e-01 0.00000e+00 0.00000e+00 4.12066e+02 180.718 2.53442e+02 180.718 0.9672 
1 1 1 8  5  41 o 2  1.32868e+02 4.19028e+00 1.24509e+02 148.917 -6.22064e+00 3.74997e+00  0.00000e+00 0.00000e+00 1.65665e+02 148.917 4.11567e+01 148.917 0.9284 
1 1 1 8  5  42 o 5  1.06445e+02 5.05065e+00 8.30921e+01 3.543   3.75275e+00  2.32357e-01  0.00000e+00 0.00000e+00 1.29894e+02 3.543   4.68016e+01 3.543   0.8536 
1 1 1 8  5  43 o 11 1.61942e+02 3.76414e+00 2.09917e+02 356.794 1.62486e+01  -9.10033e-01 0.00000e+00 0.00000e+00 1.56480e+02 356.794 5.34365e+01 176.794 0.9688 
1 1 1 8  5  44 o 9  1.83878e+02 3.54685e+00 2.27049e+02 42.899  1.65423e+01  1.53715e+01  0.00000e+00 0.00000e+00 1.91198e+02 42.899  3.58512e+01 222.899 0.9776 
1 1 1 8  5  45 o 17 9.99870e+01 5.07729e+00 1.42166e+02 222.561 -5.11180e+00 -4.69408e+00 0.00000e+00 0.00000e+00 7.21686e+01 222.561 6.99975e+01 42.561  0.9249 
1 1 1 8  5  46 o 15 7.05206e+01 6.13521e+00 9.68548e+01 206.180 -4.11848e+00 -2.02473e+00 0.00000e+00 0.00000e+00 4.68911e+01 206.180 4.99637e+01 26.180  0.8829 
1 1 1 8  5  47 o 19 2.00575e+02 3.11310e+00 1.32337e+02 103.296 -4.16091e+00 1.76068e+01  0.00000e+00 0.00000e+00 3.15946e+02 103.296 1.83608e+02 103.296 0.9720 
1 1 1 8  5  48 o 4  3.33018e+01 8.51812e+00 6.72914e+01 293.679 5.83258e-01  -1.33000e+00 0.00000e+00 0.00000e+00 2.27453e+01 113.679 9.00367e+01 113.679 0.5841 
1 1 1 8  5  49 o 14 2.82092e+01 8.11891e+00 4.30731e+01 259.397 -1.52320e-01 -8.13670e-01 0.00000e+00 0.00000e+00 1.84940e+01 79.397  6.15671e+01 79.397  0.3821 
1 1 1 8  5  50 o 19 1.54153e+02 4.44973e+00 1.61219e+02 54.933  1.25739e+01  1.79126e+01  0.00000e+00 0.00000e+00 1.80736e+02 54.933  1.95168e+01 54.933  0.9769 
1 1 1 8  5  51 o 1  1.17925e+02 4.75793e+00 1.12729e+02 211.784 -1.09827e+01 -6.80527e+00 0.00000e+00 0.00000e+00 1.43353e+02 211.784 3.06245e+01 211.784 0.9605 
1 1 1 8  5  52 o 12 1.32870e+02 5.36539e+00 1.52748e+02 22.815  1.84229e+01  7.74993e+00  0.00000e+00 0.00000e+00 1.38747e+02 22.815  1.40003e+01 202.815 0.9747 
1 1 1 8  5  53 o 5  1.30704e+02 4.00028e+00 2.16378e+02 116.087 -1.39743e+01 2.85412e+01  0.00000e+00 0.00000e+00 7.18467e+01 116.087 1.44532e+02 296.087 0.9841 
1 1 1 8  5  55 o 13 3.06490e+01 8.60309e+00 3.79311e+01 330.213 1.24992e+00  -7.15448e-01 0.00000e+00 0.00000e+00 1.59931e+00 330.213 3.63318e+01 150.213 0.5810 
1 1 1 8  5  56 o 5  3.39981e+01 8.94828e+00 4.81810e+01 171.707 -1.93090e+00 2.81430e-01  0.00000e+00 0.00000e+00 3.61779e+00 171.707 4.45632e+01 351.707 0.6896 
1 1 1 8  5  57 o 2  7.98534e+01 5.50868e+00 1.16619e+02 258.952 -2.49706e+00 -1.27890e+01 0.00000e+00 0.00000e+00 5.20680e+01 258.952 6.45512e+01 78.952  0.9608 
1 1 1 8  5  58 o 15 9.95086e+01 4.46480e+00 1.12981e+02 260.634 -2.90453e+00 -1.76106e+01 0.00000e+00 0.00000e+00 9.85255e+01 260.634 1.44556e+01 80.634  0.9716 
1 1 1 8  5  59 o 19 6.83667e+01 6.28539e+00 4.71519e+01 114.254 -1.98098e+00 4.39682e+00  0.00000e+00 0.00000e+00 8.51576e+01 114.254 3.80057e+01 114.254 0.8891 
1 1 1 8  5  60 o 3  1.37081e+02 3.76323e+00 1.11225e+02 270.612 2.89156e-01  -2.70796e+01 0.00000e+00 0.00000e+00 1.80098e+02 270.612 6.88727e+01 270.612 0.9814 
1 1 1 8  5  61 o 18 2.93606e+01 8.57308e+00 1.75168e+01 81.987  1.24238e-01  8.82562e-01  0.00000e+00 0.00000e+00 8.19707e+00 81.987  9.31975e+00 261.987 0.4065 
1 1 1 8  5  62 o 17 3.41807e+01 9.10091e+00 2.51541e+01 10.228  1.53406e+00  2.76804e-01  0.00000e+00 0.00000e+00 1.95505e+01 10.228  5.60357e+00 190.228 0.6103 
1 1 1 8  5  63 o 19 3.30679e+01 9.03138e+00 2.98337e+01 313.272 1.37301e+00  -1.45841e+00 0.00000e+00 0.00000e+00 1.93799e+01 313.272 1.04539e+01 133.272 0.6983 
1 1 1 8  5  64 o 16 9.29761e+01 4.95236e+00 8.72726e+01 205.312 -1.85375e+01 -8.76749e+00 0.00000e+00 0.00000e+00 1.04942e+02 205.312 1.76696e+01 205.312 0.9753 
1 1 1 8  5  65 o 1  5.21171e+01 7.89064e+00 6.15217e+01 342.750 7.09495e+00  -2.20300e+00 0.00000e+00 0.00000e+00 4.06516e+01 342.750 2.08701e+01 162.750 0.9300 
1 1 1 8  6  0  o 12 2.74914e+02 3.98021e+00 1.38561e+02 0.000   3.12928e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.55224e+02 0.000   4.16663e+02 0.000   0.9962 
1 1 1 8  6  1  o 6  3.33777e+02 2.82154e+00 3.53029e+02 274.042 1.36358e+00  -1.92964e+01 0.00000e+00 0.00000e+00 4.70346e+02 274.042 1.17317e+02 274.042 0.9738 
1 1 1 8  6  2  f 0  4.93472e+02 3.50026e+00 7.09042e+02 16.131  5.50018e+01  1.59078e+01  0.00000e+00 0.00000e+00 5.29901e+02 16.131  1.79142e+02 196.131 0.9912 
1 1 1 8  6  3  o 14 3.29561e+02 3.08977e+00 3.70128e+02 61.788  9.40497e+00  1.75313e+01  0.00000e+00 0.00000e+00 4.43179e+02 61.788  7.30502e+01 61.788  0.9745 
1 1 1 8  6  4  o 18 2.00992e+02 2.66491e+00 2.70893e+02 164.652 -1.07772e+01 2.95792e+00  0.00000e+00 0.00000e+00 2.14606e+02 164.652 5.62877e+01 344.652 0.9542 
1 1 1 8  6  5  o 11 1.14920e+02 3.29644e+00 3.96041e+02 181.081 -9.26235e+00 -1.74813e-01 0.00000e+00 0.00000e+00 1.21400e+02 1.081   5.17441e+02 1.081   0.9444 
1 1 1 8  6  6  o 16 2.21589e+02 2.86030e+00 3.01892e+02 203.261 -1.24079e+01 -5.33368e+00 0.00000e+00 0.00000e+00 2.37426e+02 203.261 6.44663e+01 23.261  0.9622 
1 1 1 8  6  7  o 15 3.64779e+02 2.96175e+00 4.16286e+02 320.867 2.35358e+01  -1.91496e+01 0.00000e+00 0.00000e+00 4.90539e+02 320.867 7.42529e+01 320.867 0.9834 
1 1 1 8  6  8  o 10 3.39674e+02 2.86722e+00 6.41035e+02 99.086  -6.79363e+00 4.24794e+01  0.00000e+00 0.00000e+00 2.07063e+02 99.086  4.33972e+02 279.086 0.9883 
1 1 1 8  6  9  o 13 2.19709e+02 2.67719e+00 3.00086e+02 244.059 -4.97398e+00 -1.02248e+01 0.00000e+00 0.00000e+00 2.29585e+02 244.059 7.05011e+01 64.059  0.9550 
1 1 1 8  6  10 o 15 1.98417e+02 2.84635e+00 2.61235e+02 208.465 -7.75754e+00 -4.20590e+00 0.00000e+00 0.00000e+00 2.09980e+02 208.465 5.12547e+01 28.465  0.9415 
1 1 1 8  6  11 o 16 8.45318e+01 4.57307e+00 5.70925e+01 78.034  1.67605e-01  7.90856e-01  0.00000e+00 0.00000e+00 2.26714e+01 78.034  3.44210e+01 258.034 0.3744 
1 1 1 8  6  12 o 3  3.48803e+02 3.26319e+00 4.48041e+02 206.491 -2.31509e+01 -1.15382e+01 0.00000e+00 0.00000e+00 4.12971e+02 206.491 3.50697e+01 26.491  0.9805 
1 1 1 8  6  13 o 17 2.35957e+02 2.72282e+00 2.32397e+02 283.349 2.01616e+00  -8.49644e+00 0.00000e+00 0.00000e+00 3.25927e+02 283.349 9.35302e+01 283.349 0.9409 
1 1 1 8  6  14 o 2  3.87229e+02 3.31413e+00 4.68956e+02 352.089 2.81383e+01  -3.91000e+00 0.00000e+00 0.00000e+00 4.86485e+02 352.089 1.75287e+01 352.089 0.9822 
1 1 1 8  6  15 o 1  2.42258e+02 3.20567e+00 1.24917e+02 208.676 -4.88460e+00 -2.67154e+00 0.00000e+00 0.00000e+00 4.25174e+02 208.676 3.00257e+02 208.676 0.9051 
1 1 1 8  6  16 o 6  3.18827e+02 3.34940e+00 4.28901e+02 164.031 -2.37026e+01 6.78258e+00  0.00000e+00 0.00000e+00 3.53548e+02 164.031 7.53531e+01 344.031 0.9795 
1 1 1 8  6  17 o 10 1.87161e+02 2.92614e+00 2.77641e+02 167.976 -8.85560e+00 1.88618e+00  0.00000e+00 0.00000e+00 1.63953e+02 167.976 1.13689e+02 347.976 0.9430 
1 1 1 8  6  18 o 11 2.01063e+02 2.99959e+00 1.95177e+02 166.862 -6.50263e+00 1.51774e+00  0.00000e+00 0.00000e+00 2.67803e+02 166.862 7.26261e+01 166.862 0.9217 
1 1 1 8  6  19 f 0  4.69315e+02 3.66964e+00 3.83278e+02 270.815 3.64941e-01  -2.56524e+01 0.00000e+00 0.00000e+00 7.64232e+02 270.815 3.80954e+02 270.815 0.9803 
1 1 1 8  6  20 o 5  3.91249e+01 7.87172e+00 3.32955e+01 11.584  1.76078e-01  3.60926e-02  0.00000e+00 0.00000e+00 2.45756e+01 191.584 5.78711e+01 191.584 0.0895 
1 1 1 8  6  21 o 19 4.23248e+02 3.58941e+00 5.15983e+02 131.698 -2.41309e+01 2.70859e+01  0.00000e+00 0.00000e+00 5.21431e+02 131.698 5.44786e+00 131.698 0.9861 
1 1 1 8  6  22 o 18 1.72347e+02 3.82472e+00 3.83987e+02 301.283 5.56445e+00  -9.15790e+00 0.00000e+00 0.00000e+00 2.31330e+01 301.283 3.60854e+02 121.283 0.9521 
1 1 1 8  6  23 o 17 3.13832e+02 3.59392e+00 3.42415e+02 291.544 5.28431e+00  -1.33847e+01 0.00000e+00 0.00000e+00 4.07177e+02 291.544 6.47624e+01 291.544 0.9646 
1 1 1 8  6  24 o 12 3.43336e+02 3.74502e+00 4.24005e+02 348.481 2.46097e+01  -5.01545e+00 0.00000e+00 0.00000e+00 4.07363e+02 348.481 1.66423e+01 168.481 0.9799 
1 1 1 8  6  25 o 18 2.53251e+02 3.29895e+00 2.83573e+02 213.197 -9.68276e+00 -6.33556e+00 0.00000e+00 0.00000e+00 3.13301e+02 213.197 2.97278e+01 213.197 0.9558 
1 1 1 8  6  26 o 9  3.22102e+02 3.81749e+00 4.48487e+02 152.039 -1.99191e+01 1.05736e+01  0.00000e+00 0.00000e+00 3.26275e+02 152.039 1.22211e+02 332.039 0.9776 
1 1 1 8  6  27 o 1  4.45919e+02 3.61146e+00 4.80269e+02 57.898  2.13958e+01  3.41056e+01  0.00000e+00 0.00000e+00 6.00733e+02 57.898  1.20464e+02 57.898  0.9875 
1 1 1 8  6  28 o 16 6.34156e+02 4.43308e+00 7.60451e+02 319.805 7.63485e+01  -6.45079e+01 0.00000e+00 0.00000e+00 7.84857e+02 319.805 2.44056e+01 319.805 0.9950 
1 1 1 8  6  29 f 0  3.90595e+02 3.33451e+00 4.41173e+02 156.740 -3.21823e+01 1.38334e+01  0.00000e+00 0.00000e+00 4.99354e+02 156.740 5.81808e+01 156.740 0.9856 
1 1 1 8  6  30 o 15 1.20331e+02 4.22187e+00 1.29005e+02 17.560  3.11435e+00  9.85530e-01  0.00000e+00 0.00000e+00 1.13762e+02 17.560  1.52434e+01 197.560 0.8279 
1 1 1 8  6  31 o 15 2.66157e+02 3.40508e+00 2.85007e+02 99.269  -2.77831e+00 1.70239e+01  0.00000e+00 0.00000e+00 3.42835e+02 99.269  5.78285e+01 99.269  0.9706 
1 1 1 8  6  32 o 11 4.31874e+02 3.81621e+00 4.40602e+02 176.337 -4.48589e+01 2.87218e+00  0.00000e+00 0.00000e+00 5.94486e+02 176.337 1.53884e+02 176.337 0.9888 
1 1 1 8  6  33 o 10 3.09966e+02 3.60504e+00 3.56929e+02 319.684 1.93063e+01  -1.63820e+01 0.00000e+00 0.00000e+00 3.77333e+02 319.684 2.04041e+01 319.684 0.9800 
1 1 1 8  6  34 o 16 2.49256e+02 3.66455e+00 2.64744e+02 164.380 -1.61395e+01 4.51230e+00  0.00000e+00 0.00000e+00 3.17778e+02 164.380 5.30345e+01 164.380 0.9697 
1 1 1 8  6  35 o 16 3.12429e+02 8.42509e+00 3.70509e+02 296.183 1.54068e+01  -3.13338e+01 0.00000e+00 0.00000e+00 3.69405e+02 296.183 1.10319e+00 116.183 0.9856 
1 1 1 8  6  36 o 2  5.30543e+01 1.03927e+01 1.07092e+02 138.963 -1.45295e+00 1.26469e+00  0.00000e+00 0.00000e+00 1.99951e+01 318.963 1.27087e+02 318.963 0.6853 
1 1 1 8  6  37 o 11 2.71748e+02 3.24781e+00 2.10169e+02 139.819 -1.43267e+01 1.20990e+01  0.00000e+00 0.00000e+00 4.21231e+02 139.819 2.11062e+02 139.819 0.9730 
1 1 1 8  6  39 o 18 2.56276e+02 3.49631e+00 1.79667e+02 180.065 -1.81417e+01 -2.06514e-02 0.00000e+00 0.00000e+00 4.11331e+02 180.065 2.31665e+02 180.065 0.9720 
1 1 1 8  6  40 f 0  2.82480e+02 3.18819e+00 3.32867e+02 153.901 -3.75040e+01 1.83726e+01  0.00000e+00 0.00000e+00 3.26975e+02 153.901 5.89274e+00 333.901 0.9880 
1 1 1 8  6  41 o 2  1.66868e+02 3.65210e+00 1.56162e+02 206.811 -1.00323e+01 -5.07005e+00 0.00000e+00 0.00000e+00 2.19082e+02 206.811 6.29193e+01 206.811 0.9544 
1 1 1 8  6  42 o 3  1.62563e+02 3.64715e+00 1.87006e+02 351.398 1.45268e+01  -2.19743e+00 0.00000e+00 0.00000e+00 1.81417e+02 351.398 5.58870e+00 171.398 0.9653 
1 1 1 8  6  43 o 5  2.87702e+02 3.12064e+00 2.22958e+02 94.041  -2.47266e+00 3.50040e+01  0.00000e+00 0.00000e+00 4.40348e+02 94.041  2.17391e+02 94.041  0.9856 
1 1 1 8  6  44 o 17 1.65120e+02 5.00583e+00 1.94375e+02 242.699 -7.26411e+00 -1.40732e+01 0.00000e+00 0.00000e+00 1.78059e+02 242.699 1.63168e+01 62.699  0.9679 
1 1 1 8  6  45 o 2  1.78660e+02 3.38053e+00 1.44681e+02 174.109 -1.69291e+01 1.74666e+00  0.00000e+00 0.00000e+00 2.57687e+02 174.109 1.13006e+02 174.109 0.9702 
1 1 1 8  6  46 o 10 6.09669e+01 7.53325e+00 6.81504e+01 225.814 -1.92352e+00 -1.97899e+00 0.00000e+00 0.00000e+00 4.32945e+01 225.814 2.48559e+01 45.814  0.7905 
1 1 1 8  6  47 o 10 1.89392e+02 3.42605e+00 1.65850e+02 289.526 7.20741e+00  -2.03234e+01 0.00000e+00 0.00000e+00 2.60095e+02 289.526 9.42459e+01 289.526 0.9765 
1 1 1 8  6  48 o 13 2.02686e+02 3.34186e+00 2.05401e+02 82.445  3.94203e+00  2.97218e+01  0.00000e+00 0.00000e+00 2.51668e+02 82.445  4.62668e+01 82.445  0.9832 
1 1 1 8  6  49 o 1  9.14846e+01 4.75904e+00 8.54104e+01 2.160   6.93854e+00  2.61733e-01  0.00000e+00 0.00000e+00 1.07853e+02 2.160   2.24426e+01 2.160   0.9249 
1 1 1 8  6  50 o 15 2.52635e+01 7.91816e+00 1.64082e+01 135.692 -2.22704e-01 2.17391e-01  0.00000e+00 0.00000e+00 7.57385e+00 315.692 2.39821e+01 315.692 0.1538 
1 1 1 8  6  51 o 14 9.60313e+01 4.50582e+00 7.66789e+01 156.202 -6.78513e+00 2.99233e+00  0.00000e+00 0.00000e+00 1.25535e+02 156.202 4.88564e+01 156.202 0.9299 
1 1 1 8  6  52 o 7  1.00253e+02 4.34721e+00 1.23299e+02 65.060  4.92639e+00  1.05937e+01  0.00000e+00 0.00000e+00 9.28132e+01 65.060  3.04853e+01 245.060 0.9562 
1 1 1 8  6  53 o 6  7.94543e+01 5.04112e+00 6.67831e+01 88.047  2.14065e-01  6.27862e+00  0.00000e+00 0.00000e+00 9.66468e+01 88.047  2.98637e+01 88.047  0.9165 
1 1 1 8  6  54 o 13 3.94385e+01 8.95502e+00 7.53254e+01 250.886 -1.20944e+00 -3.48987e+00 0.00000e+00 0.00000e+00 3.85997e-01 70.886  7.57114e+01 70.886  0.8506 
1 1 1 8  6  55 o 18 1.48809e+02 3.63028e+00 1.75240e+02 41.779  2.68159e+01  2.39587e+01  0.00000e+00 0.00000e+00 1.50990e+02 41.779  2.42498e+01 221.779 0.9860 
1 1 1 8  6  56 f 0  9.49344e+01 4.77050e+00 9.80587e+01 281.134 2.45651e+00  -1.24819e+01 0.00000e+00 0.00000e+00 1.03577e+02 281.134 5.51879e+00 281.134 0.9599 
1 1 1 8  6  57 o 15 9.36557e+01 4.82589e+00 1.09908e+02 198.486 -1.56309e+01 -5.22588e+00 0.00000e+00 0.00000e+00 8.99664e+01 198.486 1.99417e+01 18.486  0.9692 
1 1 1 8  6  58 o 7  9.90366e+01 4.66561e+00 1.09848e+02 3.375   1.72325e+01  1.01633e+00  0.00000e+00 0.00000e+00 1.00772e+02 3.375   9.07634e+00 183.375 0.9706 
1 1 1 8  6  59 o 11 3.88102e+01 9.08021e+00 9.27177e+01 269.386 -6.14798e-02 -5.73812e+00 0.00000e+00 0.00000e+00 1.58839e+01 89.386  1.08602e+02 89.386  0.9081 
1 1 1 8  6  60 o 15 8.68525e+01 5.39331e+00 1.12133e+02 337.647 1.55580e+01  -6.39747e+00 0.00000e+00 0.00000e+00 7.05566e+01 337.647 4.15766e+01 157.647 0.9698 
1 1 1 8  6  61 o 1  2.92391e+01 8.55797e+00 5.02349e+01 343.764 2.63952e+00  -7.68664e-01 0.00000e+00 0.00000e+00 4.21838e-01 163.764 5.06567e+01 163.764 0.7896 
1 1 1 8  6  62 o 7  4.54106e+01 9.10576e+00 1.46521e+01 79.305  2.34086e-01  1.23940e+00  0.00000e+00 0.00000e+00 3.71353e+01 79.305  2.24832e+01 79.305  0.5314 
1 1 1 8  6  63 o 17 8.73548e+01 5.37528e+00 7.85824e+01 156.550 -1.43358e+01 6.21836e+00  0.00000e+00 0.00000e+00 1.01824e+02 156.550 2.32414e+01 156.550 0.9675 
1 1 1 8  6  64 o 11 3.89930e+01 8.80058e+00 4.85744e+01 111.878 -1.61852e+00 4.03067e+00  0.00000e+00 0.00000e+00 2.39056e+01 111.878 2.46688e+01 291.878 0.8755 
1 1 1 8  6  65 o 17 4.55704e+01 9.39212e+00 3.49997e+01 80.053  6.69083e-01  3.81502e+00  0.00000e+00 0.00000e+00 4.75933e+01 80.053  1.25936e+01 80.053  0.8585 
1 1 1 8  7  0  o 13 3.52334e+02 4.15929e+00 5.57513e+02 0.000   1.69722e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.36713e+02 0.000   2.20800e+02 180.000 1.0000 
1 1 1 8  7  1  o 2  2.67318e+02 2.81706e+00 2.71814e+02 234.679 -7.25561e+00 -1.02397e+01 0.00000e+00 0.00000e+00 3.78995e+02 234.679 1.07181e+02 234.679 0.9593 
1 1 1 8  7  2  o 3  2.66428e+02 2.72695e+00 2.30183e+02 136.569 -7.67745e+00 7.26798e+00  0.00000e+00 0.00000e+00 4.13081e+02 136.569 1.82898e+02 136.569 0.9515 
1 1 1 8  7  3  o 5  5.59588e+01 6.15465e+00 2.66563e+02 273.507 1.55726e-01  -2.54120e+00 0.00000e+00 0.00000e+00 1.57261e+02 93.507  4.23824e+02 93.507  0.7699 
1 1 1 8  7  4  o 2  3.19462e+02 2.84529e+00 3.86682e+02 209.421 -1.83993e+01 -1.03762e+01 0.00000e+00 0.00000e+00 4.04138e+02 209.421 1.74564e+01 209.421 0.9760 
1 1 1 8  7  5  o 15 2.08362e+02 2.72669e+00 3.42223e+02 60.252  6.01584e+00  1.05263e+01  0.00000e+00 0.00000e+00 1.63754e+02 60.252  1.78469e+02 240.252 0.9578 
1 1 1 8  7  6  o 12 4.92638e+02 3.55370e+00 7.02669e+02 9.371   5.76038e+01  9.50609e+00  0.00000e+00 0.00000e+00 5.34972e+02 9.371   1.67697e+02 189.371 0.9914 
1 1 1 8  7  7  o 6  1.82005e+02 2.82210e+00 1.16029e+02 160.859 -3.34112e+00 1.15966e+00  0.00000e+00 0.00000e+00 2.72554e+02 160.859 1.56525e+02 160.859 0.8430 
1 1 1 8  7  8  o 19 4.33171e+02 3.27752e+00 5.22929e+02 169.999 -3.61524e+01 6.37524e+00  0.00000e+00 0.00000e+00 5.58395e+02 169.999 3.54660e+01 169.999 0.9863 
1 1 1 8  7  9  o 4  1.67221e+02 2.92868e+00 2.06468e+02 140.436 -4.26743e+00 3.52587e+00  0.00000e+00 0.00000e+00 1.76062e+02 140.436 3.04063e+01 320.435 0.9045 
1 1 1 8  7  10 o 14 5.70920e+01 6.62335e+00 2.63293e+01 142.392 -1.87302e-01 1.44284e-01  0.00000e+00 0.00000e+00 9.39162e+00 322.392 3.57209e+01 322.392 0.1174 
1 1 1 8  7  11 f 0  2.31563e+02 3.50213e+00 2.91563e+02 295.156 4.48412e+00  -9.54809e+00 0.00000e+00 0.00000e+00 2.64644e+02 295.156 2.69182e+01 115.156 0.9514 
1 1 1 8  7  12 o 9  8.42906e+01 4.54785e+00 7.63085e+01 333.756 1.06137e+00  -5.23283e-01 0.00000e+00 0.00000e+00 3.16095e+01 333.756 4.46990e+01 153.756 0.5076 
1 1 1 8  7  13 o 1  2.34053e+02 2.76912e+00 5.33736e+02 65.398  9.44379e+00  2.06249e+01  0.00000e+00 0.00000e+00 4.28295e+01 65.398  4.90906e+02 245.398 0.9777 
1 1 1 8  7  14 o 12 3.71544e+01 8.67950e+00 7.74975e+01 116.430 -2.25417e-01 4.53505e-01  0.00000e+00 0.00000e+00 5.45485e+01 296.430 1.32046e+02 296.430 0.2454 
1 1 1 8  7  15 o 18 4.07482e+02 3.45448e+00 5.19121e+02 156.326 -3.34216e+01 1.46526e+01  0.00000e+00 0.00000e+00 4.90951e+02 156.326 2.81698e+01 336.326 0.9862 
1 1 1 8  7  16 o 4  8.05381e+01 5.37678e+00 2.08181e+02 296.728 1.26998e+00  -2.52195e+00 0.00000e+00 0.00000e+00 4.72494e+01 116.728 2.55430e+02 116.728 0.7961 
1 1 1 8  7  17 o 6  7.10762e+01 6.11152e+00 2.82739e+01 228.651 -1.87934e-01 -2.13549e-01 0.00000e+00 0.00000e+00 3.18679e+00 48.651  3.14607e+01 48.651  0.1408 
1 1 1 8  7  18 o 18 4.64222e+02 4.49479e+00 5.25137e+02 216.644 -2.71697e+01 -2.02101e+01 0.00000e+00 0.00000e+00 6.19423e+02 216.644 9.42863e+01 216.644 0.9851 
1 1 1 8  7  19 o 6  4.69536e+02 3.74854e+00 4.91022e+02 310.520 2.49290e+01  -2.91671e+01 0.00000e+00 0.00000e+00 6.66858e+02 310.520 1.75836e+02 310.520 0.9869 
1 1 1 8  7  20 o 2  2.87340e+02 3.12492e+00 2.26711e+02 125.069 -5.17935e+00 7.37802e+00  0.00000e+00 0.00000e+00 4.49073e+02 125.069 2.22362e+02 125.069 0.9428 
1 1 1 8  7  21 o 8  2.03275e+02 3.34405e+00 5.76185e+01 6.525   1.56954e+00  1.79508e-01  0.00000e+00 0.00000e+00 2.53812e+02 6.525   1.96194e+02 6.525   0.6152 
1 1 1 8  7  22 o 9  3.19234e+02 3.23765e+00 3.74645e+02 287.029 6.10495e+00  -1.99329e+01 0.00000e+00 0.00000e+00 3.99561e+02 287.029 2.49156e+01 287.029 0.9757 
1 1 1 8  7  23 o 17 6.07361e+02 4.59644e+00 5.37988e+02 63.571  2.45938e+01  4.94803e+01  0.00000e+00 0.00000e+00 9.55024e+02 63.571  4.17036e+02 63.571  0.9909 
1 1 1 8  7  24 o 5  7.27075e+02 5.05214e+00 8.61854e+02 321.857 7.78593e+01  -6.11446e+01 0.00000e+00 0.00000e+00 9.29068e+02 321.857 6.72143e+01 321.857 0.9949 
1 1 1 8  7  25 o 3  6.97635e+02 5.17543e+00 8.67316e+02 182.229 -1.15148e+02 -4.48220e+00 0.00000e+00 0.00000e+00 8.48693e+02 182.229 1.86225e+01 2.229   0.9957 
1 1 1 8  7  26 o 8  1.70507e+02 3.45115e+00 2.41283e+02 203.200 -7.98699e+00 -3.42319e+00 0.00000e+00 0.00000e+00 1.54049e+02 203.200 8.72336e+01 23.200  0.9406 
1 1 1 8  7  27 o 4  3.76304e+02 3.17933e+00 4.91053e+02 240.198 -1.88915e+01 -3.29833e+01 0.00000e+00 0.00000e+00 4.22185e+02 240.198 6.88684e+01 60.198  0.9868 
1 1 1 8  7  28 o 5  4.61095e+02 3.95354e+00 4.54741e+02 132.982 -2.87386e+01 3.08382e+01  0.00000e+00 0.00000e+00 6.63105e+02 132.982 2.08364e+02 132.982 0.9881 
1 1 1 8  7  29 o 6  2.47412e+02 3.56619e+00 4.13348e+02 56.166  1.19030e+01  1.77574e+01  0.00000e+00 0.00000e+00 1.77875e+02 56.166  2.35473e+02 236.166 0.9763 
1 1 1 8  7  31 o 15 8.42213e+01 7.82616e+00 5.53970e+01 282.140 2.27410e-01  -1.05714e+00 0.00000e+00 0.00000e+00 4.19035e+01 282.140 1.34935e+01 102.140 0.4745 
1 1 1 8  7  32 f 0  2.04216e+02 3.75368e+00 2.33734e+02 63.822  5.49417e+00  1.11767e+01  0.00000e+00 0.00000e+00 2.41826e+02 63.822  8.09182e+00 63.822  0.9590 
1 1 1 8  7  33 o 1  2.27737e+02 3.58937e+00 2.62931e+02 353.303 1.60178e+01  -1.88084e+00 0.00000e+00 0.00000e+00 2.71163e+02 353.303 8.23240e+00 353.303 0.9685 
1 1 1 8  7  34 o 16 3.65366e+02 3.54071e+00 3.70214e+02 66.895  1.63266e+01  3.82675e+01  0.00000e+00 0.00000e+00 5.01312e+02 66.895  1.31099e+02 66.895  0.9879 
1 1 1 8  7  35 f 0  3.47941e+02 3.52822e+00 4.50793e+02 84.046  5.73441e+00  5.49849e+01  0.00000e+00 0.00000e+00 3.79220e+02 84.046  7.15729e+01 264.046 0.9909 
1 1 1 8  7  36 o 5  1.03046e+02 5.99825e+00 1.92292e+02 207.337 -5.72266e+00 -2.95837e+00 0.00000e+00 0.00000e+00 3.49191e+01 207.337 1.57373e+02 27.337  0.9187 
1 1 1 8  7  38 o 17 2.97831e+02 3.58819e+00 2.22377e+02 334.434 2.35822e+01  -1.12817e+01 0.00000e+00 0.00000e+00 4.74152e+02 334.434 2.51776e+02 334.434 0.9807 
1 1 1 8  7  39 o 1  3.29889e+02 3.27849e+00 2.55335e+02 234.640 -2.17107e+01 -3.05951e+01 0.00000e+00 0.00000e+00 5.18233e+02 234.640 2.62898e+02 234.640 0.9866 
1 1 1 8  7  40 o 13 1.04689e+02 5.30765e+00 1.75023e+02 60.614  3.86342e+00  6.86046e+00  0.00000e+00 0.00000e+00 5.66298e+01 60.614  1.18393e+02 240.614 0.9342 
1 1 1 8  7  41 o 9  8.73772e+01 5.97224e+00 5.80947e+01 304.914 1.39263e+00  -1.99523e+00 0.00000e+00 0.00000e+00 9.81471e+01 304.914 4.00524e+01 304.914 0.7575 
1 1 1 8  7  42 o 8  1.82271e+02 3.61687e+00 1.41993e+02 238.540 -7.41220e+00 -1.21144e+01 0.00000e+00 0.00000e+00 2.71336e+02 238.540 1.29344e+02 238.540 0.9641 
1 1 1 8  7  43 o 12 6.80609e+01 7.32692e+00 1.41238e+02 92.561  -2.09693e-01 4.68838e+00  0.00000e+00 0.00000e+00 3.45012e-02 92.561  1.41204e+02 272.561 0.8857 
1 1 1 8  7  44 o 15 1.28115e+02 4.49532e+00 1.83800e+02 289.262 5.11308e+00  -1.46321e+01 0.00000e+00 0.00000e+00 1.05490e+02 289.262 7.83095e+01 109.262 0.9672 
1 1 1 8  7  45 f 0  1.98835e+02 3.33950e+00 2.26692e+02 241.948 -1.46944e+01 -2.75757e+01 0.00000e+00 0.00000e+00 2.28281e+02 241.948 1.58957e+00 241.948 0.9839 
1 1 1 8  7  46 o 9  1.45056e+02 3.86209e+00 1.43519e+02 175.890 -1.43283e+01 1.02961e+00  0.00000e+00 0.00000e+00 1.80602e+02 175.890 3.70839e+01 175.890 0.9645 
1 1 1 8  7  47 o 5  2.29915e+02 3.36042e+00 2.06849e+02 335.588 3.22589e+01  -1.46412e+01 0.00000e+00 0.00000e+00 3.16099e+02 335.588 1.09250e+02 335.588 0.9858 
1 1 1 8  7  48 o 9  1.79023e+02 3.60150e+00 1.22968e+02 264.123 -2.04028e+00 -1.98223e+01 0.00000e+00 0.00000e+00 2.77949e+02 264.123 1.54981e+02 264.123 0.9746 
1 1 1 8  7  49 o 11 2.11634e+02 3.44338e+00 2.09032e+02 15.350  3.37941e+01  9.27669e+00  0.00000e+00 0.00000e+00 2.68288e+02 15.350  5.92561e+01 15.350  0.9856 
1 1 1 8  7  50 o 17 1.26925e+02 4.90499e+00 1.26916e+02 349.874 1.60534e+01  -2.86693e+00 0.00000e+00 0.00000e+00 1.53276e+02 349.874 2.63601e+01 349.874 0.9688 
1 1 1 8  7  51 o 16 1.33831e+02 4.08264e+00 1.43677e+02 248.069 -6.87337e+00 -1.70711e+01 0.00000e+00 0.00000e+00 1.51569e+02 248.069 7.89220e+00 248.069 0.9724 
1 1 1 8  7  52 f 0  1.37714e+02 4.04177e+00 1.45220e+02 95.504  -2.32263e+00 2.41045e+01  0.00000e+00 0.00000e+00 1.59327e+02 95.504  1.41076e+01 95.504  0.9791 
1 1 1 8  7  53 o 18 8.70013e+01 6.25703e+00 1.04536e+02 105.151 -2.17151e+00 8.01933e+00  0.00000e+00 0.00000e+00 7.88950e+01 105.151 2.56410e+01 285.151 0.9377 
1 1 1 8  7  54 o 2  2.87405e+01 8.39690e+00 5.27235e+01 71.393  6.18894e-01  1.83821e+00  0.00000e+00 0.00000e+00 8.49573e+00 251.393 6.12193e+01 251.393 0.6876 
1 1 1 8  7  55 o 19 6.84228e+01 5.55573e+00 8.81138e+01 73.920  2.27964e+00  7.90845e+00  0.00000e+00 0.00000e+00 5.47159e+01 73.920  3.33979e+01 253.920 0.9371 
1 1 1 8  7  56 o 4  5.13865e+01 7.33580e+00 6.42060e+01 134.998 -3.14459e+00 3.14480e+00  0.00000e+00 0.00000e+00 3.59004e+01 134.998 2.83056e+01 314.998 0.8788 
1 1 1 8  7  57 o 10 5.33659e+01 6.86173e+00 6.76812e+01 47.130  3.77723e+00  4.06909e+00  0.00000e+00 0.00000e+00 3.88396e+01 47.130  2.88416e+01 227.130 0.9048 
1 1 1 8  7  58 o 4  4.07245e+01 7.18816e+00 7.35985e+01 200.441 -4.78534e+00 -1.78354e+00 0.00000e+00 0.00000e+00 6.48440e+00 200.441 6.71141e+01 20.441  0.8958 
1 1 1 8  7  59 o 19 8.85340e+01 5.51822e+00 6.93555e+01 320.342 8.14371e+00  -6.75087e+00 0.00000e+00 0.00000e+00 1.14634e+02 320.342 4.52784e+01 320.342 0.9515 
1 1 1 8  7  60 o 18 3.68554e+01 9.35039e+00 2.97805e+01 194.837 -1.79195e+00 -4.74688e-01 0.00000e+00 0.00000e+00 2.40554e+01 194.837 5.72511e+00 14.837  0.6722 
1 1 1 8  7  61 o 13 3.24371e+01 9.04529e+00 6.01628e+01 344.538 3.61119e+00  -9.98884e-01 0.00000e+00 0.00000e+00 3.50927e-01 164.538 6.05137e+01 164.538 0.8530 
1 1 1 8  7  62 o 10 8.40004e+01 6.25848e+00 8.38410e+01 32.267  1.33897e+01  8.45382e+00  0.00000e+00 0.00000e+00 9.09770e+01 32.267  7.13600e+00 32.267  0.9679 
1 1 1 8  7  63 o 18 8.71750e+01 7.06776e+00 6.40207e+01 170.912 -1.37031e+01 2.19190e+00  0.00000e+00 0.00000e+00 1.15567e+02 170.912 5.15460e+01 170.912 0.9633 
1 1 1 8  7  64 o 10 4.37641e+01 1.14311e+01 3.45084e+01 72.315  9.11201e-01  2.85770e+00  0.00000e+00 0.00000e+00 4.08846e+01 72.315  6.37616e+00 72.315  0.8099 
1 1 1 8  8  0  o 9  8.98968e+02 1.14732e+01 1.11983e+03 180.000 -3.99507e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.16663e+03 180.000 4.67996e+01 180.000 1.0000 
1 1 1 8  8  1  o 13 1.50679e+02 4.46425e+00 2.03193e+02 90.000  0.00000e+00  2.43984e+00  0.00000e+00 0.00000e+00 1.74251e+02 90.000  2.89416e+01 270.000 0.9849 
1 1 1 8  8  2  o 17 2.46547e+02 3.97762e+00 2.78819e+02 0.000   5.47000e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.48125e+02 0.000   6.93063e+01 0.000   1.0000 
1 1 1 8  8  3  o 10 5.24109e+01 1.10862e+01 1.40269e+01 270.000 5.04376e-09  -5.76939e-02 0.00000e+00 0.00000e+00 6.34764e+00 90.000  2.03745e+01 90.000  0.0576 
1 1 1 8  8  4  f 0  3.63329e+01 1.45556e+01 6.48849e+01 180.000 -1.82606e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.82069e+01 0.000   1.13092e+02 0.000   0.1806 
1 1 1 8  8  5  o 4  2.92463e+02 4.02621e+00 1.64854e+02 90.000  2.31892e-16  3.78708e+00  0.00000e+00 0.00000e+00 5.77439e+02 90.000  4.12584e+02 90.000  0.9990 
1 1 1 8  8  6  o 1  1.71575e+02 4.19782e+00 2.53606e+02 180.000 -4.06373e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.81846e+02 180.000 7.17600e+01 0.000   0.9994 
1 1 1 8  8  7  o 8  1.59855e+02 4.32547e+00 2.59263e+01 270.000 -2.34959e-17 -3.83718e-01 0.00000e+00 0.00000e+00 1.22540e+02 270.000 9.66138e+01 270.000 0.3659 
1 1 1 8  8  8  f 0  3.23424e+02 4.79557e+00 2.17259e+02 0.000   6.43989e+00  0.00000e+00  0.00000e+00 0.00000e+00 6.03073e+02 0.000   3.85814e+02 0.000   1.0000 
1 1 1 8  8  9  o 18 2.85725e+02 5.26045e+00 4.05582e+02 270.000 9.18095e-07  -1.05018e+01 0.00000e+00 0.00000e+00 3.18605e+02 270.000 8.69766e+01 90.000  1.0000 
1 1 1 8  8  10 o 19 4.39464e+02 5.47272e+00 4.49575e+02 180.000 -1.74471e+01 0.00000e+00  0.00000e+00 0.00000e+00 6.63358e+02 180.000 2.13783e+02 180.000 1.0000 
1 1 1 8  8  11 o 6  7.15348e+02 7.69604e+00 1.02591e+03 90.000  3.89923e-15  6.36793e+01  0.00000e+00 0.00000e+00 7.84051e+02 90.000  2.41860e+02 270.000 1.0000 
1 1 1 8  8  12 o 2  2.72713e+02 6.30886e+00 4.42226e+02 0.000   1.03275e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.47104e+02 0.000   1.95122e+02 180.000 1.0000 
1 1 1 8  8  13 o 7  3.88136e+02 4.73889e+00 4.38681e+02 90.000  0.00000e+00  1.23519e+01  0.00000e+00 0.00000e+00 5.41343e+02 90.000  1.02662e+02 90.000  1.0000 
1 1 1 8  8  14 o 11 1.27014e+02 5.28171e+00 7.31769e+01 0.000   6.62321e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.12585e+02 0.000   3.94079e+01 0.000   0.5799 
1 1 1 8  8  15 o 3  5.71977e+02 6.93929e+00 7.50147e+02 90.000  1.83522e-15  2.99714e+01  0.00000e+00 0.00000e+00 6.90581e+02 90.000  5.95661e+01 270.000 1.0000 
1 1 1 8  8  16 o 2  6.52147e+02 6.22811e+00 6.93374e+02 0.000   3.79618e+01  0.00000e+00  0.00000e+00 0.00000e+00 9.47098e+02 0.000   2.53725e+02 0.000   1.0000 
1 1 1 8  8  17 o 5  5.01989e+02 5.18431e+00 3.06195e+02 270.000 -7.75945e-16 -1.26722e+01 0.00000e+00 0.00000e+00 9.54757e+02 270.000 6.48561e+02 270.000 1.0000 
1 1 1 8  8  18 o 13 6.26332e+01 9.67335e+00 2.67211e+01 0.000   1.14161e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.86477e+00 180.000 3.55858e+01 180.000 0.1137 
1 1 1 8  8  19 o 11 1.98318e+02 4.24299e+00 3.12236e+02 270.000 -2.54517e-16 -4.15657e+00 0.00000e+00 0.00000e+00 1.84134e+02 270.000 1.28102e+02 90.000  0.9995 
1 1 1 8  8  20 o 5  5.13902e+02 5.66933e+00 6.14526e+02 180.000 -2.74077e+01 0.00000e+00  0.00000e+00 0.00000e+00 6.70186e+02 180.000 5.56593e+01 180.000 1.0000 
1 1 1 8  8  21 o 12 3.84958e+02 4.87620e+00 5.70138e+02 90.000  0.00000e+00  1.78836e+01  0.00000e+00 0.00000e+00 3.90523e+02 90.000  1.79615e+02 270.000 1.0000 
1 1 1 8  8  22 o 5  4.06883e+02 7.25441e+00 4.93988e+02 0.000   1.59100e+01  0.00000e+00  0.00000e+00 0.00000e+00 5.19505e+02 0.000   2.55165e+01 0.000   1.0000 
1 1 1 8  8  23 o 14 7.53020e+02 8.02975e+00 8.01142e+02 270.000 5.03898e-06  -5.76392e+01 0.00000e+00 0.00000e+00 1.07090e+03 270.000 2.69755e+02 270.000 1.0000 
1 1 1 8  8  24 o 14 5.20044e+02 5.37296e+00 5.45687e+02 180.000 -3.01587e+01 0.00000e+00  0.00000e+00 0.00000e+00 7.44545e+02 180.000 1.98858e+02 180.000 1.0000 
1 1 1 8  8  25 o 9  5.80426e+02 7.37112e+00 7.58949e+02 90.000  -3.97899e-06 4.55143e+01  0.00000e+00 0.00000e+00 6.78052e+02 90.000  8.08966e+01 270.000 1.0000 
1 1 1 8  8  26 o 4  1.71819e+02 6.16910e+00 1.28740e+02 180.000 -2.24672e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.86323e+02 180.000 1.57582e+02 180.000 0.9779 
1 1 1 8  8  27 o 10 4.10131e+02 5.06347e+00 4.00636e+02 90.000  -1.52092e-06 1.73973e+01  0.00000e+00 0.00000e+00 6.10207e+02 90.000  2.09571e+02 90.000  1.0000 
1 1 1 8  8  28 o 6  5.59524e+02 6.01026e+00 6.20830e+02 0.000   3.97470e+01  0.00000e+00  0.00000e+00 0.00000e+00 7.54953e+02 0.000   1.34123e+02 0.000   1.0000 
1 1 1 8  8  29 f 0  2.62089e+02 5.11467e+00 1.85060e+02 90.000  -5.06620e-07 5.79505e+00  0.00000e+00 0.00000e+00 4.57780e+02 90.000  2.72720e+02 90.000  1.0000 
1 1 1 8  8  30 o 8  4.11829e+02 5.08874e+00 5.93086e+02 0.000   2.83445e+01  0.00000e+00  0.00000e+00 0.00000e+00 4.14483e+02 0.000   1.78604e+02 180.000 1.0000 
1 1 1 8  8  31 o 15 2.19058e+02 4.93288e+00 3.54987e+02 90.000  0.00000e+00  1.00446e+01  0.00000e+00 0.00000e+00 1.79546e+02 90.000  1.75441e+02 270.000 1.0000 
1 1 1 8  8  33 o 19 6.76310e+02 6.55090e+00 6.66245e+02 270.000 0.00000e+00  -6.85437e+01 0.00000e+00 0.00000e+00 9.74961e+02 270.000 3.08715e+02 270.000 1.0000 
1 1 1 8  8  34 o 12 2.75186e+02 4.60037e+00 4.67387e+02 0.000   2.25437e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.98483e+02 0.000   2.68904e+02 180.000 1.0000 
1 1 1 8  8  35 o 17 6.89619e+01 1.16536e+01 1.23026e+01 270.000 0.00000e+00  -1.35486e-01 0.00000e+00 0.00000e+00 1.01015e+01 270.000 2.20119e+00 90.000  0.1347 
1 1 1 8  8  37 o 4  5.15993e+02 5.98676e+00 4.84810e+02 270.000 4.29313e-06  -4.91077e+01 0.00000e+00 0.00000e+00 7.52320e+02 270.000 2.67510e+02 270.000 1.0000 
1 1 1 8  8  38 o 1  6.43514e+01 1.67672e+01 9.16939e+01 0.000   1.23005e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.78879e+01 0.000   5.38060e+01 180.000 0.8426 
1 1 1 8  8  39 o 19 8.79920e+01 1.08626e+01 7.25612e+01 270.000 0.00000e+00  -1.37373e+00 0.00000e+00 0.00000e+00 1.11780e+02 270.000 3.92192e+01 270.000 0.8795 
1 1 1 8  8  40 o 3  3.01833e+02 5.27856e+00 3.95048e+02 0.000   2.89349e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.21445e+02 0.000   7.36028e+01 180.000 1.0000 
1 1 1 8  8  41 f 0  2.58279e+01 1.63902e+01 8.33173e+01 90.000  3.35442e-17  5.47818e-01  0.00000e+00 0.00000e+00 5.28373e+01 270.000 1.36155e+02 270.000 0.4989 
1 1 1 8  8  42 o 5  3.47195e+02 4.75403e+00 3.91502e+02 0.000   3.40561e+01  0.00000e+00  0.00000e+00 0.00000e+00 4.26859e+02 0.000   3.53578e+01 0.000   1.0000 
1 1 1 8  8  43 o 1  2.10122e+02 4.79751e+00 2.88402e+02 270.000 0.00000e+00  -2.11893e+01 0.00000e+00 0.00000e+00 2.05056e+02 270.000 8.33455e+01 90.000  1.0000 
1 1 1 8  8  44 o 12 2.08547e+02 4.99259e+00 3.01571e+02 180.000 -2.18459e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.86355e+02 180.000 1.15216e+02 0.000   1.0000 
1 1 1 8  8  45 f 0  2.87637e+01 1.58699e+01 3.91148e+00 270.000 3.12647e-09  -3.57626e-02 0.00000e+00 0.00000e+00 1.51501e+00 90.000  5.42649e+00 90.000  0.0357 
1 1 1 8  8  46 o 6  7.54317e+01 9.27653e+00 1.32367e+02 180.000 -3.63533e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.25079e+01 180.000 8.98588e+01 0.000   0.9986 
1 1 1 8  8  47 o 10 2.07127e+01 1.34271e+01 8.24157e+00 90.000  0.00000e+00  7.18270e-02  0.00000e+00 0.00000e+00 4.80746e+00 270.000 1.30490e+01 270.000 0.0717 
1 1 1 8  8  48 o 14 7.00991e+01 1.04850e+01 1.05634e+02 0.000   2.83754e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.46861e+01 0.000   5.09479e+01 180.000 0.9932 
1 1 1 8  8  49 o 19 9.31015e+01 8.17454e+00 1.53995e+02 270.000 6.31396e-07  -7.22233e+00 0.00000e+00 0.00000e+00 5.95030e+01 270.000 9.44922e+01 90.000  1.0000 
1 1 1 8  8  50 o 4  1.79723e+01 1.27391e+01 6.08347e+00 0.000   4.91857e-02  0.00000e+00  0.00000e+00 0.00000e+00 4.06661e+00 180.000 1.01501e+01 180.000 0.0491 
1 1 1 8  8  51 o 6  2.83358e+01 1.56409e+01 1.34071e+01 90.000  -1.76585e-08 2.01989e-01  0.00000e+00 0.00000e+00 5.68914e-01 270.000 1.39760e+01 270.000 0.1993 
1 1 1 8  8  52 o 12 8.18783e+01 2.54910e+01 8.18683e+01 180.000 -2.37721e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.00290e+02 180.000 1.84214e+01 180.000 0.9829 
1 1 1 8  8  53 o 10 9.29892e+01 7.69909e+00 8.29404e+01 270.000 0.00000e+00  -5.28413e+00 0.00000e+00 0.00000e+00 1.26569e+02 270.000 4.36290e+01 270.000 0.9999 
1 1 1 8  8  54 o 7  4.37206e+01 1.60085e+01 4.73510e+01 180.000 -1.16379e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.32778e+01 180.000 1.40732e+01 0.000   0.8223 
1 1 1 8  8  55 o 13 4.72169e+01 1.55825e+01 8.38907e+01 90.000  -2.13419e-07 2.44123e+00  0.00000e+00 0.00000e+00 1.99248e+01 90.000  6.39659e+01 270.000 0.9850 
1 1 1 8  8  56 o 11 1.85399e+02 4.50446e+00 2.15350e+02 180.000 -3.30529e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.96536e+02 180.000 1.88141e+01 0.000   1.0000 
1 1 1 8  8  57 o 13 1.03256e+02 6.04809e+00 1.03689e+02 90.000  -7.32170e-07 8.37505e+00  0.00000e+00 0.00000e+00 1.24590e+02 90.000  2.09003e+01 90.000  1.0000 
1 1 1 8  8  58 o 7  2.05758e+01 1.28712e+01 3.56897e+01 0.000   5.80522e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.20145e+01 180.000 4.77042e+01 180.000 0.5230 
1 1 1 8  8  59 o 17 6.82703e+01 8.51744e+00 4.16049e+01 90.000  -2.33678e-07 2.67296e+00  0.00000e+00 0.00000e+00 1.06407e+02 90.000  6.48019e+01 90.000  0.9905 
1 1 1 8  8  60 o 12 3.80944e+01 1.49709e+01 4.72146e+00 180.000 -1.63659e-01 0.00000e+00  0.00000e+00 0.00000e+00 8.73475e+00 180.000 4.01328e+00 180.000 0.1622 
1 1 1 8  8  61 o 11 2.05418e+01 1.28710e+01 3.82622e+01 270.000 7.01940e-08  -8.02926e-01 0.00000e+00 0.00000e+00 8.64071e+00 90.000  4.69029e+01 90.000  0.6657 
1 1 1 8  8  62 o 5  1.13243e+02 5.17748e+00 1.37742e+02 180.000 -2.06082e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.06273e+02 180.000 3.14687e+01 0.000   1.0000 
1 1 1 8  8  63 o 9  9.87485e+01 1.03264e+01 1.36341e+02 270.000 1.41078e-06  -1.61374e+01 0.00000e+00 0.00000e+00 7.52972e+01 270.000 6.10434e+01 90.000  1.0000 
1 1 1 9  0  1  o 18 4.43618e+02 4.60632e+00 5.40959e+02 135.000 -1.20502e+01 1.20502e+01  0.00000e+00 0.00000e+00 5.79788e+02 135.000 3.88288e+01 135.000 1.0000 
1 1 1 9  0  2  o 11 3.18811e+02 3.96394e+00 3.47831e+02 0.000   7.85431e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.57502e+02 0.000   1.09671e+02 0.000   1.0000 
1 1 1 9  0  3  o 7  1.93729e+02 3.92017e+00 2.41650e+02 225.000 -2.60818e+00 -2.60818e+00 0.00000e+00 0.00000e+00 2.47003e+02 225.000 5.35335e+00 225.000 0.9987 
1 1 1 9  0  4  o 14 4.77467e+01 1.24898e+01 2.01064e+02 270.000 6.47396e-08  -7.40535e-01 0.00000e+00 0.00000e+00 1.25182e+02 90.000  3.26246e+02 90.000  0.6295 
1 1 1 9  0  5  o 4  2.53449e+02 3.80689e+00 2.09998e+02 135.000 -2.91638e+00 2.91638e+00  0.00000e+00 0.00000e+00 4.29313e+02 135.000 2.19315e+02 135.000 0.9995 
1 1 1 9  0  6  o 14 4.46196e+02 4.63444e+00 5.31135e+02 180.000 -1.81505e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.94424e+02 180.000 6.32896e+01 180.000 1.0000 
1 1 1 9  0  7  o 13 3.09623e+02 3.94791e+00 4.69754e+02 45.000  7.78218e+00  7.78218e+00  0.00000e+00 0.00000e+00 3.10853e+02 45.000  1.58901e+02 225.000 1.0000 
1 1 1 9  0  8  o 14 1.91196e+02 3.99065e+00 1.16602e+02 90.000  -1.45414e-07 1.66334e+00  0.00000e+00 0.00000e+00 3.31720e+02 90.000  2.15118e+02 90.000  0.9307 
1 1 1 9  0  9  o 8  2.67969e+02 4.12524e+00 2.07889e+02 315.000 3.32987e+00  -3.32987e+00 0.00000e+00 0.00000e+00 4.66660e+02 315.000 2.58771e+02 315.000 0.9998 
1 1 1 9  0  10 o 10 3.98478e+02 4.39071e+00 4.86985e+02 0.000   1.61347e+01  0.00000e+00  0.00000e+00 0.00000e+00 5.15431e+02 0.000   2.84459e+01 0.000   1.0000 
1 1 1 9  0  11 f 0  7.26376e+01 9.18024e+00 1.23516e+02 45.000  5.15088e-01  5.15088e-01  0.00000e+00 0.00000e+00 9.94162e+00 225.000 1.33458e+02 225.000 0.6221 
1 1 1 9  0  12 o 5  1.77774e+02 4.50559e+00 4.95201e+02 90.000  -7.81097e-07 8.93471e+00  0.00000e+00 0.00000e+00 4.88385e+01 270.000 5.44039e+02 270.000 1.0000 
1 1 1 9  0  13 o 12 3.18791e+02 4.38954e+00 2.30652e+02 135.000 -5.17266e+00 5.17266e+00  0.00000e+00 0.00000e+00 5.68917e+02 135.000 3.38265e+02 135.000 1.0000 
1 1 1 9  0  14 o 5  1.64636e+02 4.75620e+00 8.18231e+01 180.000 -1.31241e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.74898e+02 180.000 1.93075e+02 180.000 0.8649 
1 1 1 9  0  15 o 14 3.93005e+02 5.20768e+00 5.53929e+02 225.000 -1.29849e+01 -1.29849e+01 0.00000e+00 0.00000e+00 4.29404e+02 225.000 1.24525e+02 45.000  1.0000 
1 1 1 9  0  16 o 15 2.31023e+02 4.84901e+00 3.79568e+02 90.000  4.44257e-16  7.25527e+00  0.00000e+00 0.00000e+00 1.97697e+02 90.000  1.81871e+02 270.000 1.0000 
1 1 1 9  0  17 o 9  2.71557e+01 1.47065e+01 8.97263e+01 135.000 -1.33877e-01 1.33877e-01  0.00000e+00 0.00000e+00 7.70486e+01 315.000 1.66775e+02 315.000 0.1871 
1 1 1 9  0  18 o 19 1.74224e+02 4.33917e+00 1.20936e+02 180.000 -1.63257e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.81194e+02 180.000 1.60258e+02 180.000 0.9264 
1 1 1 9  0  19 o 4  2.40232e+02 4.06268e+00 2.62284e+02 45.000  4.03876e+00  4.03876e+00  0.00000e+00 0.00000e+00 3.35267e+02 45.000  7.29833e+01 45.000  1.0000 
1 1 1 9  0  20 o 18 2.68116e+02 4.25388e+00 1.64277e+02 90.000  2.38475e-16  3.89459e+00  0.00000e+00 0.00000e+00 5.00976e+02 90.000  3.36699e+02 90.000  0.9992 
1 1 1 9  0  21 o 9  3.89841e+02 4.42287e+00 4.69183e+02 315.000 1.09732e+01  -1.09732e+01 0.00000e+00 0.00000e+00 4.97185e+02 315.000 2.80018e+01 315.000 1.0000 
1 1 1 9  0  22 o 9  1.11223e+02 5.77314e+00 1.86158e+01 0.000   1.46597e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.14408e+01 0.000   2.82500e+00 0.000   0.1456 
1 1 1 9  0  23 o 15 1.20695e+02 5.75480e+00 2.37112e+02 45.000  1.39247e+00  1.39247e+00  0.00000e+00 0.00000e+00 4.95537e+01 45.000  1.87558e+02 225.000 0.9618 
1 1 1 9  0  24 o 13 4.99714e+02 5.47583e+00 4.40571e+02 270.000 -1.10376e-15 -1.80258e+01 0.00000e+00 0.00000e+00 7.90965e+02 270.000 3.50394e+02 270.000 1.0000 
1 1 1 9  0  25 o 17 2.07373e+02 4.56934e+00 1.87633e+02 315.000 1.86126e+00  -1.86126e+00 0.00000e+00 0.00000e+00 3.17108e+02 315.000 1.29475e+02 315.000 0.9897 
1 1 1 9  0  26 o 9  2.96840e+02 4.44986e+00 3.10702e+02 0.000   6.04865e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.17700e+02 0.000   1.06998e+02 0.000   1.0000 
1 1 1 9  0  27 o 8  7.66896e+02 8.98516e+00 8.44504e+02 45.000  3.83067e+01  3.83067e+01  0.00000e+00 0.00000e+00 1.03307e+03 45.000  1.88563e+02 45.000  1.0000 
1 1 1 9  0  28 o 3  9.51003e+01 6.87426e+00 1.95263e+02 270.000 -8.88012e-17 -1.45023e+00 0.00000e+00 0.00000e+00 1.27995e+01 270.000 1.82463e+02 90.000  0.8957 
1 1 1 9  0  29 o 16 2.70787e+02 4.26237e+00 3.36568e+02 135.000 -6.06112e+00 6.06112e+00  0.00000e+00 0.00000e+00 3.23197e+02 135.000 1.33708e+01 315.000 1.0000 
1 1 1 9  0  30 o 11 2.62277e+02 4.74367e+00 2.41868e+02 180.000 -6.56610e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.95538e+02 180.000 1.53670e+02 180.000 1.0000 
1 1 1 9  0  31 o 19 2.45121e+02 4.24590e+00 4.67892e+02 45.000  8.20435e+00  8.20435e+00  0.00000e+00 0.00000e+00 1.26255e+02 45.000  3.41637e+02 225.000 1.0000 
1 1 1 9  0  32 o 10 5.25615e+02 5.28454e+00 6.42203e+02 90.000  -3.08496e-06 3.52879e+01  0.00000e+00 0.00000e+00 6.28373e+02 90.000  1.38294e+01 270.000 1.0000 
1 1 1 9  0  33 o 5  2.39702e+02 4.14197e+00 3.88857e+02 315.000 7.42962e+00  -7.42962e+00 0.00000e+00 0.00000e+00 1.88957e+02 315.000 1.99900e+02 135.000 1.0000 
1 1 1 9  0  34 o 15 2.12973e+02 4.62733e+00 1.78674e+02 0.000   4.44835e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.33084e+02 0.000   1.54410e+02 0.000   0.9997 
1 1 1 9  0  35 o 18 1.14542e+02 5.71558e+00 1.23601e+02 225.000 -1.29364e+00 -1.29364e+00 0.00000e+00 0.00000e+00 1.37107e+02 225.000 1.35061e+01 225.000 0.9498 
1 1 1 9  0  36 o 10 4.38156e+02 4.77856e+00 3.41478e+02 90.000  1.22003e-15  1.99246e+01  0.00000e+00 0.00000e+00 7.05329e+02 90.000  3.63851e+02 90.000  1.0000 
1 1 1 9  0  37 o 11 1.45297e+01 1.03271e+01 7.47444e+01 315.000 1.14719e-01  -1.14719e-01 0.00000e+00 0.00000e+00 6.91791e+01 135.000 1.43924e+02 135.000 0.1608 
1 1 1 9  0  38 o 19 1.27481e+02 5.96483e+00 1.13860e+01 180.000 -2.50958e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.30058e+01 180.000 5.16197e+01 180.000 0.2458 
1 1 1 9  0  39 o 14 8.91858e+01 1.17305e+01 4.35477e+01 225.000 -4.32602e-01 -4.32602e-01 0.00000e+00 0.00000e+00 7.15383e+01 225.000 2.79905e+01 225.000 0.5454 
1 1 1 9  0  41 o 16 4.39614e+02 5.11372e+00 5.06397e+02 135.000 -3.03391e+01 3.03391e+01  0.00000e+00 0.00000e+00 5.26595e+02 135.000 2.01977e+01 135.000 1.0000 
1 1 1 9  0  42 o 17 1.14971e+02 5.78373e+00 1.98515e+01 0.000   4.95271e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.03542e+02 0.000   8.36903e+01 0.000   0.4584 
1 1 1 9  0  43 o 18 2.40295e+01 1.38383e+01 1.72877e+02 45.000  6.05241e-01  6.05241e-01  0.00000e+00 0.00000e+00 1.33965e+02 225.000 3.06843e+02 225.000 0.6942 
1 1 1 9  0  44 o 9  1.19114e+02 4.90474e+00 1.69648e+02 270.000 -2.92025e-16 -4.76914e+00 0.00000e+00 0.00000e+00 1.07141e+02 270.000 6.25065e+01 90.000  0.9999 
1 1 1 9  0  45 o 11 1.85799e+02 3.98129e+00 4.80310e+01 135.000 -1.57970e+00 1.57970e+00  0.00000e+00 0.00000e+00 3.72367e+02 135.000 3.24336e+02 135.000 0.9773 
1 1 1 9  0  46 o 14 4.89211e+01 9.73730e+00 1.80025e+01 0.000   2.83043e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.31031e+01 0.000   4.89943e+00 180.000 0.2757 
1 1 1 9  0  47 o 10 2.85294e+02 4.66455e+00 3.25463e+02 225.000 -2.21614e+01 -2.21614e+01 0.00000e+00 0.00000e+00 3.29815e+02 225.000 4.35236e+00 225.000 1.0000 
1 1 1 9  0  48 o 12 1.24767e+02 8.37256e+00 1.15431e+02 90.000  -4.24937e-07 4.86071e+00  0.00000e+00 0.00000e+00 1.69933e+02 90.000  5.45023e+01 90.000  0.9999 
1 1 1 9  0  49 o 19 8.64817e+01 1.11585e+01 5.74039e+01 315.000 1.24414e+00  -1.24414e+00 0.00000e+00 0.00000e+00 1.28255e+02 315.000 7.08514e+01 315.000 0.9424 
1 1 1 9  0  50 o 11 2.26383e+01 1.50803e+01 4.77480e+00 0.000   4.39757e-02  0.00000e+00  0.00000e+00 0.00000e+00 2.51818e+00 180.000 7.29297e+00 180.000 0.0439 
1 1 1 9  0  51 o 16 1.36122e+02 7.70563e+00 1.05107e+02 45.000  3.90487e+00  3.90487e+00  0.00000e+00 0.00000e+00 2.02292e+02 45.000  9.71857e+01 45.000  1.0000 
1 1 1 9  0  52 o 19 9.66365e+01 1.02706e+01 8.95678e+01 270.000 0.00000e+00  -4.19775e+00 0.00000e+00 0.00000e+00 1.27605e+02 270.000 3.80368e+01 270.000 0.9995 
1 1 1 9  0  53 o 12 1.28521e+02 8.10162e+00 1.18358e+02 135.000 -4.99858e+00 4.99858e+00  0.00000e+00 0.00000e+00 1.69293e+02 135.000 5.09349e+01 135.000 1.0000 
1 1 1 9  0  54 o 5  1.18232e+02 8.53803e+00 6.78113e+01 0.000   4.66497e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.95547e+02 0.000   1.27736e+02 0.000   0.9998 
1 1 1 9  0  55 o 2  3.27093e+01 1.83948e+01 1.29088e+02 225.000 -1.19030e+00 -1.19030e+00 0.00000e+00 0.00000e+00 6.13964e+01 45.000  1.90485e+02 45.000  0.9333 
1 1 1 9  0  56 f 0  8.03590e+01 1.13194e+01 1.24188e+02 270.000 5.56150e-07  -6.36162e+00 0.00000e+00 0.00000e+00 5.31486e+01 270.000 7.10394e+01 90.000  1.0000 
1 1 1 9  0  57 o 15 6.30874e+01 1.58257e+01 2.09481e+01 315.000 5.51242e-01  -5.51242e-01 0.00000e+00 0.00000e+00 6.94476e+01 315.000 4.84994e+01 315.000 0.6525 
1 1 1 9  0  58 o 8  9.87354e+01 9.84101e+00 9.66000e+01 180.000 -6.37958e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.19157e+02 180.000 2.25573e+01 180.000 1.0000 
1 1 1 9  0  59 o 19 2.72141e+01 1.64768e+01 9.19581e+01 225.000 -1.16787e+00 -1.16787e+00 0.00000e+00 0.00000e+00 3.69850e+01 45.000  1.28943e+02 45.000  0.9291 
1 1 1 9  0  60 o 3  3.09191e+01 1.75663e+01 3.81176e+01 270.000 7.28028e-08  -8.32767e-01 0.00000e+00 0.00000e+00 7.49226e+00 270.000 3.06253e+01 90.000  0.6820 
1 1 1 9  0  61 o 19 1.07694e+02 1.45053e+01 1.07567e+02 135.000 -6.16370e+00 6.16370e+00  0.00000e+00 0.00000e+00 1.24173e+02 135.000 1.66058e+01 135.000 1.0000 
1 1 1 9  0  62 o 1  2.73332e+01 1.68088e+01 3.57832e+01 180.000 -8.01799e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.12514e+00 180.000 3.26580e+01 0.000   0.6650 
1 1 1 9  0  63 o 8  9.39627e+01 1.06905e+01 7.53332e+01 45.000  4.97631e+00  4.97631e+00  0.00000e+00 0.00000e+00 1.24706e+02 45.000  4.93731e+01 45.000  1.0000 
1 1 1 9  0  64 o 12 2.70783e+01 1.68135e+01 3.08852e+01 90.000  -6.50963e-08 7.44615e-01  0.00000e+00 0.00000e+00 5.34479e+00 90.000  2.55404e+01 270.000 0.6319 
1 1 1 9  0  65 o 9  3.67855e+01 1.93217e+01 4.66315e+01 135.000 -1.09562e+00 1.09562e+00  0.00000e+00 0.00000e+00 2.41373e+01 135.000 2.24942e+01 315.000 0.9137 
1 1 1 9  0  66 o 8  8.82660e+01 1.11170e+01 5.36996e+01 180.000 -6.13420e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.31100e+02 180.000 7.74000e+01 180.000 1.0000 
1 1 1 9  1  0  o 2  2.55839e+02 3.80788e+00 2.40310e+02 180.000 -4.85907e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.06079e+02 180.000 1.65769e+02 180.000 0.9999 
1 1 1 9  1  1  o 10 3.77845e+02 2.98757e+00 4.55512e+02 34.791  2.23108e+01  1.55013e+01  0.00000e+00 0.00000e+00 4.81463e+02 34.791  2.59510e+01 34.791  0.9814 
1 1 1 9  1  2  o 17 4.29578e+02 3.20077e+00 7.27049e+02 68.488  1.80153e+01  4.57063e+01  0.00000e+00 0.00000e+00 3.47139e+02 68.488  3.79911e+02 248.488 0.9898 
1 1 1 9  1  3  o 9  1.66849e+02 2.90523e+00 1.25982e+02 286.217 9.18880e-01  -3.15931e+00 0.00000e+00 0.00000e+00 2.23536e+02 286.217 9.75544e+01 286.217 0.8293 
1 1 1 9  1  4  o 13 2.32378e+02 2.70611e+00 2.49682e+02 34.511  7.43105e+00  5.10935e+00  0.00000e+00 0.00000e+00 3.03538e+02 34.511  5.38565e+01 34.511  0.9428 
1 1 1 9  1  5  o 19 2.35434e+02 2.69776e+00 2.16635e+02 164.788 -7.58018e+00 2.06116e+00  0.00000e+00 0.00000e+00 3.38405e+02 164.788 1.21770e+02 164.788 0.9340 
1 1 1 9  1  6  o 15 1.97891e+02 2.77607e+00 2.34378e+02 320.490 5.45134e+00  -4.49534e+00 0.00000e+00 0.00000e+00 2.28070e+02 320.490 6.30783e+00 140.490 0.9263 
1 1 1 9  1  7  o 19 1.31556e+02 3.32279e+00 9.45972e+01 260.267 -3.16357e-01 -1.84434e+00 0.00000e+00 0.00000e+00 1.29467e+02 260.267 3.48694e+01 260.267 0.6755 
1 1 1 9  1  8  o 13 7.48606e+01 5.09678e+00 8.81581e+01 81.882  1.37834e-01  9.66243e-01  0.00000e+00 0.00000e+00 5.56601e+00 261.882 9.37241e+01 261.882 0.4378 
1 1 1 9  1  9  o 11 1.47682e+02 3.14125e+00 3.05553e+02 157.778 -7.02290e+00 2.86911e+00  0.00000e+00 0.00000e+00 4.08601e+01 157.778 2.64693e+02 337.778 0.9315 
1 1 1 9  1  10 o 11 3.77738e+02 3.02307e+00 5.69947e+02 260.183 -6.07404e+00 -3.51028e+01 0.00000e+00 0.00000e+00 3.66994e+02 260.183 2.02953e+02 80.183  0.9859 
1 1 1 9  1  11 o 15 2.49962e+02 3.00234e+00 2.18554e+02 119.050 -4.31625e+00 7.77060e+00  0.00000e+00 0.00000e+00 3.73298e+02 119.050 1.54743e+02 119.050 0.9419 
1 1 1 9  1  12 o 6  3.09071e+02 3.06459e+00 4.43416e+02 199.005 -2.61764e+01 -9.01562e+00 0.00000e+00 0.00000e+00 3.18574e+02 199.005 1.24842e+02 19.005  0.9818 
1 1 1 9  1  13 o 16 2.43147e+02 3.03209e+00 3.30879e+02 274.023 1.11794e+00  -1.58953e+01 0.00000e+00 0.00000e+00 2.59595e+02 274.023 7.12838e+01 94.023  0.9681 
1 1 1 9  1  14 o 3  2.48273e+02 3.01878e+00 4.10715e+02 72.788  5.85650e+00  1.89052e+01  0.00000e+00 0.00000e+00 1.95427e+02 72.788  2.15288e+02 252.788 0.9744 
1 1 1 9  1  15 o 8  2.20816e+02 3.45416e+00 3.88403e+02 337.313 1.33027e+01  -5.56101e+00 0.00000e+00 0.00000e+00 1.44656e+02 337.313 2.43747e+02 157.313 0.9647 
1 1 1 9  1  16 o 17 2.31847e+02 3.04674e+00 1.85401e+02 45.098  5.00554e+00  5.02264e+00  0.00000e+00 0.00000e+00 3.51441e+02 45.098  1.66039e+02 45.098  0.9265 
1 1 1 9  1  17 o 9  1.68599e+02 3.08818e+00 1.37246e+02 334.102 3.28529e+00  -1.59511e+00 0.00000e+00 0.00000e+00 2.19829e+02 334.102 8.25833e+01 334.102 0.8487 
1 1 1 9  1  18 o 8  1.38140e+02 3.42011e+00 1.23168e+02 322.214 2.07535e+00  -1.60899e+00 0.00000e+00 0.00000e+00 1.44642e+02 322.214 2.14739e+01 322.214 0.7780 
1 1 1 9  1  19 o 14 5.37288e+01 7.47474e+00 2.85204e+02 77.724  5.82188e-01  2.67560e+00  0.00000e+00 0.00000e+00 1.79794e+02 257.724 4.64998e+02 257.724 0.7886 
1 1 1 9  1  20 o 3  2.34537e+02 3.04110e+00 4.36195e+02 110.703 -6.37233e+00 1.68616e+01  0.00000e+00 0.00000e+00 1.29911e+02 110.703 3.06284e+02 290.703 0.9719 
1 1 1 9  1  21 o 13 1.72915e+02 3.30535e+00 2.54376e+02 98.318  -1.07520e+00 7.35426e+00  0.00000e+00 0.00000e+00 1.44340e+02 98.318  1.10036e+02 278.318 0.9301 
1 1 1 9  1  22 o 7  3.99823e+02 3.19662e+00 5.79948e+02 48.044  2.18926e+01  2.43517e+01  0.00000e+00 0.00000e+00 3.94243e+02 48.044  1.85705e+02 228.044 0.9846 
1 1 1 9  1  23 o 2  2.75411e+02 3.09866e+00 2.58850e+02 12.793  9.54390e+00  2.16715e+00  0.00000e+00 0.00000e+00 3.85621e+02 12.793  1.26770e+02 12.793  0.9474 
1 1 1 9  1  24 o 6  2.03885e+02 3.43176e+00 5.90616e+01 253.201 -5.68299e-01 -1.88242e+00 0.00000e+00 0.00000e+00 2.88783e+02 253.201 2.29721e+02 253.201 0.6922 
1 1 1 9  1  25 o 2  3.56078e+02 3.33368e+00 3.27562e+02 184.338 -1.56763e+01 -1.18918e+00 0.00000e+00 0.00000e+00 5.19930e+02 184.338 1.92368e+02 184.338 0.9677 
1 1 1 9  1  26 o 5  6.04828e+02 4.62041e+00 6.62179e+02 328.450 5.90389e+01  -3.62505e+01 0.00000e+00 0.00000e+00 8.11454e+02 328.450 1.49276e+02 328.450 0.9928 
1 1 1 9  1  27 o 17 3.09147e+02 3.73898e+00 3.99269e+02 328.092 1.75606e+01  -1.09339e+01 0.00000e+00 0.00000e+00 3.39186e+02 328.092 6.00825e+01 148.092 0.9755 
1 1 1 9  1  28 o 10 3.01133e+02 3.40346e+00 2.36865e+02 253.513 -3.15793e+00 -1.06698e+01 0.00000e+00 0.00000e+00 4.64873e+02 253.513 2.28008e+02 253.513 0.9539 
1 1 1 9  1  29 o 13 1.58157e+02 3.66393e+00 1.62053e+02 84.377  4.70278e-01  4.77671e+00  0.00000e+00 0.00000e+00 1.80385e+02 84.377  1.83313e+01 84.377  0.8885 
1 1 1 9  1  30 o 13 8.54991e+01 5.48806e+00 1.20608e+02 167.332 -2.06682e+00 4.64561e-01  0.00000e+00 0.00000e+00 2.82488e+01 167.332 9.23587e+01 347.332 0.7163 
1 1 1 9  1  31 f 0  4.11112e+01 7.72551e+00 5.23960e+01 106.192 -1.19667e-01 4.12115e-01  0.00000e+00 0.00000e+00 3.14890e+01 286.192 8.38849e+01 286.192 0.2098 
1 1 1 9  1  32 o 13 3.63901e+02 3.07874e+00 4.70767e+02 245.123 -1.50411e+01 -3.24368e+01 0.00000e+00 0.00000e+00 3.96631e+02 245.123 7.41359e+01 65.123  0.9859 
1 1 1 9  1  33 o 13 1.96795e+02 3.33986e+00 1.56189e+02 97.997  -9.60766e-01 6.83856e+00  0.00000e+00 0.00000e+00 2.82424e+02 97.997  1.26234e+02 97.997  0.9245 
1 1 1 9  1  34 o 3  2.54152e+02 3.03229e+00 3.21807e+02 95.836  -1.93953e+00 1.89764e+01  0.00000e+00 0.00000e+00 2.72921e+02 95.836  4.88865e+01 275.836 0.9734 
1 1 1 9  1  35 o 6  4.25032e+02 3.31535e+00 4.33598e+02 234.242 -2.78039e+01 -3.86102e+01 0.00000e+00 0.00000e+00 5.74350e+02 234.242 1.40753e+02 234.242 0.9894 
1 1 1 9  1  36 o 7  4.24487e+02 3.48000e+00 3.90138e+02 102.145 -9.25298e+00 4.29954e+01  0.00000e+00 0.00000e+00 6.12558e+02 102.145 2.22420e+02 102.145 0.9886 
1 1 1 9  1  37 o 10 5.78883e+01 7.59486e+00 3.18078e+01 196.210 -5.26161e-01 -1.52965e-01 0.00000e+00 0.00000e+00 4.61910e+00 196.210 2.71887e+01 16.210  0.2642 
1 1 1 9  1  38 o 2  3.82827e+02 3.28741e+00 2.82824e+02 185.923 -3.72590e+01 -3.86542e+00 0.00000e+00 0.00000e+00 6.13887e+02 185.923 3.31063e+02 185.923 0.9866 
1 1 1 9  1  39 o 16 2.18761e+02 3.13027e+00 2.86365e+02 77.081  4.50092e+00  1.96229e+01  0.00000e+00 0.00000e+00 2.18282e+02 77.081  6.80828e+01 257.082 0.9748 
1 1 1 9  1  41 o 7  4.20344e+01 9.08038e+00 1.31334e+02 20.422  2.22708e+00  8.29225e-01  0.00000e+00 0.00000e+00 5.71603e+01 200.422 1.88495e+02 200.422 0.7509 
1 1 1 9  1  42 o 5  7.09452e+01 5.79248e+00 4.83044e+01 255.095 -3.78551e-01 -1.42218e+00 0.00000e+00 0.00000e+00 4.95572e+01 255.095 1.25278e+00 255.095 0.5891 
1 1 1 9  1  43 o 4  1.22750e+02 3.53711e+00 2.19491e+02 33.779  9.59365e+00  6.41719e+00  0.00000e+00 0.00000e+00 5.41982e+01 33.779  1.65293e+02 213.779 0.9556 
1 1 1 9  1  44 o 14 3.08730e+02 3.02004e+00 2.27616e+02 62.810  1.51524e+01  2.94962e+01  0.00000e+00 0.00000e+00 4.79089e+02 62.810  2.51473e+02 62.810  0.9848 
1 1 1 9  1  45 o 8  2.23614e+02 3.11670e+00 1.76287e+02 292.701 7.59467e+00  -1.81545e+01 0.00000e+00 0.00000e+00 3.28157e+02 292.701 1.51871e+02 292.701 0.9743 
1 1 1 9  1  46 o 6  9.37521e+01 5.62808e+00 1.57635e+02 285.540 2.57059e+00  -9.24445e+00 0.00000e+00 0.00000e+00 4.69979e+01 285.540 1.10637e+02 105.540 0.9464 
1 1 1 9  1  47 o 15 1.61452e+02 3.79348e+00 2.01838e+02 107.036 -6.41655e+00 2.09411e+01  0.00000e+00 0.00000e+00 1.60478e+02 107.036 4.13604e+01 287.036 0.9769 
1 1 1 9  1  48 o 9  1.20609e+02 4.34777e+00 1.02101e+02 112.742 -3.24880e+00 7.75046e+00  0.00000e+00 0.00000e+00 1.56849e+02 112.742 5.47479e+01 112.742 0.9385 
1 1 1 9  1  49 o 4  9.89109e+01 5.43898e+00 1.03412e+02 256.406 -1.74749e+00 -7.22685e+00 0.00000e+00 0.00000e+00 1.06177e+02 256.406 2.76547e+00 256.406 0.9301 
1 1 1 9  1  50 o 11 1.97174e+02 4.30661e+00 1.67784e+02 309.944 1.89188e+01  -2.25912e+01 0.00000e+00 0.00000e+00 2.71853e+02 309.944 1.04069e+02 309.944 0.9829 
1 1 1 9  1  51 o 6  1.01197e+02 6.51181e+00 1.05838e+02 148.754 -6.98102e+00 4.23556e+00  0.00000e+00 0.00000e+00 1.08242e+02 148.754 2.40397e+00 148.754 0.9366 
1 1 1 9  1  52 f 0  2.14649e+02 4.19195e+00 1.81859e+02 21.467  3.65892e+01  1.43883e+01  0.00000e+00 0.00000e+00 2.94632e+02 21.467  1.12773e+02 21.467  0.9872 
1 1 1 9  1  53 o 1  8.39419e+01 7.74193e+00 1.04175e+02 53.348  4.71223e+00  6.33311e+00  0.00000e+00 0.00000e+00 7.13877e+01 53.348  3.27874e+01 233.348 0.9343 
1 1 1 9  1  54 o 6  1.26882e+02 5.71149e+00 1.18525e+02 42.442  1.29622e+01  1.18536e+01  0.00000e+00 0.00000e+00 1.56020e+02 42.442  3.74950e+01 42.442  0.9711 
1 1 1 9  1  55 o 14 1.57577e+02 5.35556e+00 1.63936e+02 281.680 4.75493e+00  -2.30005e+01 0.00000e+00 0.00000e+00 1.78004e+02 281.680 1.40687e+01 281.680 0.9785 
1 1 1 9  1  56 o 13 1.01911e+02 6.67742e+00 8.32993e+01 223.060 -8.12069e+00 -7.58853e+00 0.00000e+00 0.00000e+00 1.31262e+02 223.060 4.79623e+01 223.060 0.9539 
1 1 1 9  1  57 o 5  9.32298e+01 9.95114e+00 8.06464e+01 218.073 -7.22023e+00 -5.65594e+00 0.00000e+00 0.00000e+00 1.12615e+02 218.073 3.19690e+01 218.073 0.9438 
1 1 1 9  1  58 o 1  1.04486e+02 6.40264e+00 6.65061e+01 33.782  8.91612e+00  5.96468e+00  0.00000e+00 0.00000e+00 1.50931e+02 33.782  8.44249e+01 33.782  0.9522 
1 1 1 9  1  59 o 13 5.22207e+01 1.03601e+01 1.17802e+02 153.605 -7.57458e+00 3.75923e+00  0.00000e+00 0.00000e+00 1.11888e+01 333.605 1.28991e+02 333.605 0.9389 
1 1 1 9  1  60 o 8  2.73169e+01 8.88371e+00 2.56963e+01 31.022  9.59787e-01  5.77204e-01  0.00000e+00 0.00000e+00 3.10125e+00 31.022  2.25950e+01 211.022 0.4873 
1 1 1 9  1  61 o 18 3.38537e+01 1.03271e+01 5.27496e+01 20.178  2.51415e+00  9.23918e-01  0.00000e+00 0.00000e+00 4.30499e+00 20.178  4.84446e+01 200.178 0.7831 
1 1 1 9  1  62 o 3  1.98339e+02 5.32551e+00 1.72576e+02 140.429 -5.38898e+01 4.45361e+01  0.00000e+00 0.00000e+00 2.48970e+02 140.429 7.63945e+01 140.429 0.9928 
1 1 1 9  1  63 f 0  1.01528e+02 7.57694e+00 8.32156e+01 334.576 1.64553e+01  -7.82207e+00 0.00000e+00 0.00000e+00 1.26943e+02 334.576 4.37273e+01 334.576 0.9722 
1 1 1 9  1  64 o 18 4.91408e+01 1.15991e+01 5.25026e+01 321.940 3.66139e+00  -2.86681e+00 0.00000e+00 0.00000e+00 3.95476e+01 321.940 1.29551e+01 141.940 0.8846 
1 1 1 9  1  65 o 17 5.23104e+01 1.18803e+01 6.27153e+01 167.979 -6.34143e+00 1.35034e+00  0.00000e+00 0.00000e+00 3.85497e+01 167.979 2.41656e+01 347.979 0.9193 
1 1 1 9  1  66 o 10 4.34821e+01 1.26046e+01 3.72110e+01 307.415 2.01322e+00  -2.63170e+00 0.00000e+00 0.00000e+00 3.84274e+01 307.415 1.21639e+00 307.415 0.8307 
1 1 1 9  2  0  o 12 7.94743e+01 6.93224e+00 6.15382e+01 180.000 -3.77862e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.09583e+01 180.000 5.05798e+01 0.000   0.3608 
1 1 1 9  2  1  o 10 8.66277e+01 4.38979e+00 1.42517e+02 50.991  1.20070e+00  1.48228e+00  0.00000e+00 0.00000e+00 6.82548e+00 50.991  1.35692e+02 230.991 0.6820 
1 1 1 9  2  2  o 16 2.11617e+02 2.74571e+00 3.30165e+02 190.739 -1.05985e+01 -2.01010e+00 0.00000e+00 0.00000e+00 1.79265e+02 190.739 1.50900e+02 10.739  0.9525 
1 1 1 9  2  3  o 4  2.48149e+02 2.71551e+00 4.39686e+02 291.403 6.11704e+00  -1.56064e+01 0.00000e+00 0.00000e+00 1.68370e+02 291.403 2.71317e+02 111.403 0.9697 
1 1 1 9  2  4  f 0  1.67854e+02 2.94144e+00 2.64641e+02 204.095 -6.18566e+00 -2.76630e+00 0.00000e+00 0.00000e+00 1.26713e+02 204.095 1.37928e+02 24.095  0.9229 
1 1 1 9  2  5  o 3  3.04503e+01 8.25920e+00 4.32490e+01 103.829 -4.70702e-02 1.91211e-01  0.00000e+00 0.00000e+00 3.57146e+01 283.829 7.89637e+01 283.829 0.0980 
1 1 1 9  2  6  o 2  7.20417e+01 5.22158e+00 7.43397e+01 108.213 -2.49672e-01 7.58787e-01  0.00000e+00 0.00000e+00 6.95227e+00 288.213 8.12920e+01 288.213 0.3706 
1 1 1 9  2  7  o 7  4.00605e+01 8.32047e+00 1.29962e+02 139.614 -6.66275e-01 5.66759e-01  0.00000e+00 0.00000e+00 8.95145e+01 319.614 2.19476e+02 319.614 0.4002 
1 1 1 9  2  8  o 16 1.49024e+02 3.14986e+00 5.03084e+01 280.713 2.34030e-01  -1.23706e+00 0.00000e+00 0.00000e+00 1.49057e+02 280.713 9.87491e+01 280.713 0.5307 
1 1 1 9  2  9  o 2  3.69119e+02 3.00309e+00 4.97473e+02 177.048 -3.03648e+01 1.56564e+00  0.00000e+00 0.00000e+00 4.16956e+02 177.048 8.05171e+01 357.048 0.9834 
1 1 1 9  2  10 o 3  1.12906e+02 3.74519e+00 1.14220e+02 27.667  1.86065e+00  9.75492e-01  0.00000e+00 0.00000e+00 8.85948e+01 27.667  2.56252e+01 207.667 0.7137 
1 1 1 9  2  11 o 14 6.38267e+01 6.79044e+00 1.53944e+02 254.150 -5.39188e-01 -1.89918e+00 0.00000e+00 0.00000e+00 4.26318e+01 74.150  1.96576e+02 74.150  0.6935 
1 1 1 9  2  12 o 1  1.00128e+02 4.27949e+00 1.99940e+02 300.886 2.04164e+00  -3.41328e+00 0.00000e+00 0.00000e+00 1.70572e+01 300.886 1.82883e+02 120.886 0.8626 
1 1 1 9  2  13 f 0  8.09732e+01 5.20566e+00 1.92289e+02 62.396  1.40337e+00  2.68394e+00  0.00000e+00 0.00000e+00 2.72672e+01 242.396 2.19556e+02 242.396 0.8121 
1 1 1 9  2  14 o 17 3.76520e+02 3.17381e+00 5.99672e+02 72.823  1.12962e+01  3.65449e+01  0.00000e+00 0.00000e+00 3.31708e+02 72.823  2.67964e+02 252.823 0.9868 
1 1 1 9  2  15 o 17 2.20222e+02 3.16186e+00 2.57744e+02 7.692   9.35418e+00  1.26337e+00  0.00000e+00 0.00000e+00 2.63507e+02 7.692   5.76338e+00 7.692   0.9454 
1 1 1 9  2  16 o 7  3.78006e+02 3.35331e+00 4.16887e+02 55.706  1.41482e+01  2.07449e+01  0.00000e+00 0.00000e+00 5.09175e+02 55.706  9.22876e+01 55.706  0.9799 
1 1 1 9  2  17 o 14 1.57611e+02 3.51775e+00 2.74805e+02 186.115 -6.71715e+00 -7.19638e-01 0.00000e+00 0.00000e+00 8.82695e+01 186.115 1.86536e+02 6.115   0.9227 
1 1 1 9  2  18 o 11 8.19887e+01 5.81573e+00 7.77782e+01 279.943 2.00195e-01  -1.14201e+00 0.00000e+00 0.00000e+00 2.44207e+01 279.943 5.33574e+01 99.943  0.5000 
1 1 1 9  2  19 o 9  1.89820e+02 3.16908e+00 1.96395e+02 176.038 -6.63868e+00 4.59770e-01  0.00000e+00 0.00000e+00 2.38937e+02 176.038 4.25421e+01 176.038 0.9215 
1 1 1 9  2  20 o 10 8.43660e+01 5.18874e+00 2.12733e+02 153.886 -2.75629e+00 1.35110e+00  0.00000e+00 0.00000e+00 4.18897e+01 333.886 2.54623e+02 333.886 0.8150 
1 1 1 9  2  21 f 0  1.42377e+02 3.53489e+00 2.77750e+02 351.959 6.53731e+00  -9.23495e-01 0.00000e+00 0.00000e+00 4.74193e+01 351.959 2.30331e+02 171.959 0.9208 
1 1 1 9  2  22 o 18 6.73086e+02 4.62473e+00 8.35015e+02 143.952 -6.33273e+01 4.60906e+01  0.00000e+00 0.00000e+00 8.20667e+02 143.952 1.43478e+01 323.952 0.9936 
1 1 1 9  2  23 o 19 4.00529e+02 3.22501e+00 4.97189e+02 338.741 3.08476e+01  -1.20016e+01 0.00000e+00 0.00000e+00 4.77408e+02 338.741 1.97808e+01 158.741 0.9848 
1 1 1 9  2  24 o 8  2.17235e+02 3.23275e+00 2.11535e+02 271.051 1.36279e-01  -7.42791e+00 0.00000e+00 0.00000e+00 2.86662e+02 271.051 7.51262e+01 271.051 0.9300 
1 1 1 9  2  25 o 13 4.78375e+02 3.94074e+00 5.06118e+02 87.159  1.59889e+00  3.22185e+01  0.00000e+00 0.00000e+00 6.52619e+02 87.159  1.46501e+02 87.159  0.9844 
1 1 1 9  2  26 f 0  1.02645e+02 6.03418e+00 1.21924e+02 357.212 2.13135e+00  -1.03779e-01 0.00000e+00 0.00000e+00 5.91739e+01 357.212 6.27499e+01 177.212 0.7186 
1 1 1 9  2  27 o 18 5.48513e+02 4.43161e+00 5.21405e+02 210.451 -3.92812e+01 -2.30936e+01 0.00000e+00 0.00000e+00 8.07441e+02 210.451 2.86036e+02 210.451 0.9890 
1 1 1 9  2  28 o 7  3.98316e+02 3.59873e+00 4.22255e+02 259.818 -4.58862e+00 -2.55479e+01 0.00000e+00 0.00000e+00 5.32235e+02 259.818 1.09979e+02 259.818 0.9805 
1 1 1 9  2  29 o 13 2.21978e+02 3.20017e+00 1.81703e+02 289.382 2.48305e+00  -7.05820e+00 0.00000e+00 0.00000e+00 3.21866e+02 289.382 1.40164e+02 289.382 0.9306 
1 1 1 9  2  30 o 14 3.27670e+02 3.26217e+00 3.48968e+02 310.037 1.50525e+01  -1.79151e+01 0.00000e+00 0.00000e+00 4.30598e+02 310.037 8.16306e+01 310.037 0.9784 
1 1 1 9  2  31 o 7  4.35083e+02 3.50414e+00 3.50567e+02 238.516 -1.59030e+01 -2.59673e+01 0.00000e+00 0.00000e+00 6.87154e+02 238.516 3.36587e+02 238.516 0.9834 
1 1 1 9  2  32 o 12 2.13275e+02 3.40919e+00 2.08637e+02 226.168 -6.37253e+00 -6.63775e+00 0.00000e+00 0.00000e+00 2.78315e+02 226.168 6.96777e+01 226.168 0.9440 
1 1 1 9  2  34 o 14 4.42009e+02 3.53482e+00 4.64866e+02 175.852 -4.73463e+01 3.43358e+00  0.00000e+00 0.00000e+00 5.86890e+02 175.852 1.22024e+02 175.852 0.9894 
1 1 1 9  2  35 o 17 4.64125e+02 3.49441e+00 4.13914e+02 120.261 -2.47832e+01 4.24784e+01  0.00000e+00 0.00000e+00 6.87596e+02 120.261 2.73682e+02 120.261 0.9898 
1 1 1 9  2  37 o 18 8.17635e+01 5.53951e+00 8.45904e+01 199.628 -1.94304e+00 -6.92940e-01 0.00000e+00 0.00000e+00 5.33243e+01 199.628 3.12661e+01 19.628  0.7078 
1 1 1 9  2  38 o 4  3.48059e+02 3.43634e+00 4.05557e+02 269.352 -5.47878e-01 -4.84715e+01 0.00000e+00 0.00000e+00 4.12603e+02 269.352 7.04654e+00 269.352 0.9896 
1 1 1 9  2  39 o 12 6.09192e+01 1.07769e+01 9.45550e+01 208.079 -1.55922e+00 -8.31824e-01 0.00000e+00 0.00000e+00 4.89164e-03 28.079  9.45599e+01 28.079  0.6556 
1 1 1 9  2  40 o 11 1.39001e+02 3.82956e+00 1.63197e+02 354.517 8.89984e+00  -8.54237e-01 0.00000e+00 0.00000e+00 1.45828e+02 354.517 1.73698e+01 174.517 0.9423 
1 1 1 9  2  41 o 19 4.22713e+01 8.93772e+00 7.52533e+01 59.781  6.86193e-01  1.17809e+00  0.00000e+00 0.00000e+00 1.95488e+01 239.781 9.48021e+01 239.781 0.5605 
1 1 1 9  2  42 o 11 9.29051e+01 4.74409e+00 1.10169e+02 271.453 1.11411e-01  -4.39164e+00 0.00000e+00 0.00000e+00 8.07308e+01 271.453 2.94384e+01 91.453  0.8771 
1 1 1 9  2  43 o 1  3.32508e+02 3.24475e+00 3.89724e+02 8.081   5.46856e+01  7.76426e+00  0.00000e+00 0.00000e+00 3.79334e+02 8.081   1.03898e+01 188.081 0.9909 
1 1 1 9  2  44 o 17 3.72260e+02 3.30944e+00 3.53827e+02 75.612  1.78509e+01  6.95837e+01  0.00000e+00 0.00000e+00 5.05774e+02 75.612  1.51947e+02 75.612  0.9930 
1 1 1 9  2  45 o 14 1.14950e+02 5.27358e+00 8.09349e+01 12.909  4.45522e+00  1.02110e+00  0.00000e+00 0.00000e+00 1.54023e+02 12.909  7.30880e+01 12.909  0.8824 
1 1 1 9  2  46 o 19 3.61958e+01 9.81185e+00 2.04637e+01 245.895 -1.86456e-01 -4.16722e-01 0.00000e+00 0.00000e+00 1.87939e+00 65.895  2.23431e+01 65.895  0.2225 
1 1 1 9  2  47 o 8  2.06140e+02 3.67310e+00 1.94087e+02 106.016 -7.55054e+00 2.63040e+01  0.00000e+00 0.00000e+00 2.70919e+02 106.016 7.68317e+01 106.016 0.9816 
1 1 1 9  2  48 o 11 4.06498e+01 9.61180e+00 8.87753e+01 128.994 -1.45896e+00 1.80208e+00  0.00000e+00 0.00000e+00 1.95792e+01 308.994 1.08354e+02 308.994 0.7437 
1 1 1 9  2  49 o 13 1.52599e+02 4.71299e+00 1.29603e+02 152.730 -1.24755e+01 6.43085e+00  0.00000e+00 0.00000e+00 2.05573e+02 152.730 7.59707e+01 152.730 0.9637 
1 1 1 9  2  50 o 10 1.98087e+02 3.55737e+00 2.64022e+02 19.766  4.39079e+01  1.57788e+01  0.00000e+00 0.00000e+00 1.80690e+02 19.766  8.33315e+01 199.766 0.9892 
1 1 1 9  2  51 o 11 1.45035e+02 4.30083e+00 1.22638e+02 35.534  1.12165e+01  8.01085e+00  0.00000e+00 0.00000e+00 1.92966e+02 35.534  7.03281e+01 35.534  0.9630 
1 1 1 9  2  52 o 14 4.29175e+01 9.19717e+00 4.24295e+01 102.764 -3.75129e-01 1.65589e+00  0.00000e+00 0.00000e+00 1.94938e+01 102.764 2.29357e+01 282.764 0.6414 
1 1 1 9  2  53 o 3  1.14257e+02 4.43696e+00 1.29738e+02 276.354 1.84465e+00  -1.65657e+01 0.00000e+00 0.00000e+00 1.18337e+02 276.354 1.14008e+01 96.354  0.9695 
1 1 1 9  2  54 o 15 1.41121e+02 6.74983e+00 1.12238e+02 162.938 -1.73264e+01 5.31762e+00  0.00000e+00 0.00000e+00 1.93534e+02 162.938 8.12965e+01 162.938 0.9720 
1 1 1 9  2  55 o 14 1.35046e+02 6.72474e+00 1.40187e+02 220.982 -1.85263e+01 -1.60948e+01 0.00000e+00 0.00000e+00 1.53267e+02 220.982 1.30804e+01 220.982 0.9794 
1 1 1 9  2  56 o 19 3.66459e+01 1.04619e+01 4.83538e+01 270.683 2.51920e-02  -2.11395e+00 0.00000e+00 0.00000e+00 9.55425e+00 270.683 3.87996e+01 90.683  0.7156 
1 1 1 9  2  57 o 2  5.02126e+01 1.17546e+01 3.11178e+01 258.632 -3.55840e-01 -1.76990e+00 0.00000e+00 0.00000e+00 4.20412e+01 258.632 1.09234e+01 258.632 0.6631 
1 1 1 9  2  58 o 18 1.22070e+02 6.15415e+00 9.71732e+01 46.532  1.26210e+01  1.33147e+01  0.00000e+00 0.00000e+00 1.62349e+02 46.532  6.51760e+01 46.532  0.9724 
1 1 1 9  2  59 o 17 1.34956e+02 5.82460e+00 9.73341e+01 358.997 1.99196e+01  -3.48605e-01 0.00000e+00 0.00000e+00 1.88790e+02 358.997 9.14561e+01 358.997 0.9746 
1 1 1 9  2  60 o 8  4.98214e+01 1.09539e+01 5.99619e+01 94.699  -3.63569e-01 4.42324e+00  0.00000e+00 0.00000e+00 3.47645e+01 94.699  2.51974e+01 274.699 0.8785 
1 1 1 9  2  61 o 18 2.81487e+01 9.17090e+00 3.71931e+01 208.334 -1.43006e+00 -7.71099e-01 0.00000e+00 0.00000e+00 7.14529e-01 208.334 3.64786e+01 28.334  0.6255 
1 1 1 9  2  62 o 2  7.38485e+01 8.92342e+00 9.74789e+01 278.400 1.92586e+00  -1.30420e+01 0.00000e+00 0.00000e+00 5.45573e+01 278.400 4.29216e+01 98.400  0.9613 
1 1 1 9  2  63 o 14 4.63677e+01 1.11041e+01 6.16822e+01 167.294 -5.21297e+00 1.17541e+00  0.00000e+00 0.00000e+00 2.72885e+01 167.294 3.43937e+01 347.294 0.9008 
1 1 1 9  2  64 o 14 9.89331e+01 7.40265e+00 8.97513e+01 206.061 -1.87143e+01 -9.15220e+00 0.00000e+00 0.00000e+00 1.14745e+02 206.061 2.49933e+01 206.061 0.9757 
1 1 1 9  2  65 o 4  1.49615e+02 6.13965e+00 9.95850e+01 9.049   3.64017e+01  5.79737e+00  0.00000e+00 0.00000e+00 2.11309e+02 9.049   1.11724e+02 9.049   0.9863 
1 1 1 9  3  0  o 18 1.42806e+02 4.52825e+00 3.35826e+02 0.000   3.60584e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.49003e+01 0.000   3.10926e+02 180.000 0.9985 
1 1 1 9  3  1  o 16 1.20425e+02 3.57056e+00 1.63143e+02 0.206   2.95019e+00  1.06271e-02  0.00000e+00 0.00000e+00 8.24597e+01 0.206   8.06836e+01 180.206 0.8062 
1 1 1 9  3  2  o 17 1.99921e+02 2.79157e+00 2.01165e+02 185.347 -6.00190e+00 -5.61749e-01 0.00000e+00 0.00000e+00 2.60396e+02 185.347 5.92315e+01 185.347 0.9128 
1 1 1 9  3  3  o 14 6.23803e+01 6.54180e+00 5.61874e+01 99.242  -8.34358e-02 5.12793e-01  0.00000e+00 0.00000e+00 1.65337e+01 279.242 7.27211e+01 279.242 0.2514 
1 1 1 9  3  4  o 1  3.14446e+02 2.85608e+00 5.00618e+02 208.211 -2.36628e+01 -1.26938e+01 0.00000e+00 0.00000e+00 2.79350e+02 208.211 2.21268e+02 28.211  0.9812 
1 1 1 9  3  5  o 6  3.59627e+02 3.20182e+00 5.91012e+02 281.062 6.89836e+00  -3.52854e+01 0.00000e+00 0.00000e+00 3.05036e+02 281.062 2.85975e+02 101.062 0.9860 
1 1 1 9  3  6  o 11 1.63796e+02 3.02521e+00 2.53516e+02 57.405  3.74920e+00  5.86363e+00  0.00000e+00 0.00000e+00 1.29203e+02 57.405  1.24313e+02 237.405 0.9251 
1 1 1 9  3  7  f 0  1.62134e+02 3.07119e+00 3.58729e+02 140.379 -7.42749e+00 6.14916e+00  0.00000e+00 0.00000e+00 2.87168e+01 140.379 3.30012e+02 320.379 0.9466 
1 1 1 9  3  8  f 0  1.69008e+02 2.98811e+00 2.70365e+02 34.461  6.17177e+00  4.23558e+00  0.00000e+00 0.00000e+00 1.26403e+02 34.461  1.43962e+02 214.461 0.9306 
1 1 1 9  3  9  o 6  1.79316e+02 3.08557e+00 2.33834e+02 66.696  3.39080e+00  7.87192e+00  0.00000e+00 0.00000e+00 1.90952e+02 66.696  4.28823e+01 246.696 0.9397 
1 1 1 9  3  10 o 9  2.85293e+02 3.09987e+00 3.22567e+02 70.298  6.24445e+00  1.74378e+01  0.00000e+00 0.00000e+00 3.76363e+02 70.298  5.37956e+01 70.298  0.9726 
1 1 1 9  3  11 o 14 2.60383e+02 2.82685e+00 4.68465e+02 329.799 2.08818e+01  -1.21541e+01 0.00000e+00 0.00000e+00 1.73096e+02 329.799 2.95370e+02 149.799 0.9791 
1 1 1 9  3  12 o 8  1.20965e+02 4.55400e+00 2.11965e+02 128.901 -3.12525e+00 3.87303e+00  0.00000e+00 0.00000e+00 5.95575e+01 128.901 1.52408e+02 308.901 0.8928 
1 1 1 9  3  13 o 7  1.38229e+02 3.43547e+00 1.54691e+02 18.952  3.41875e+00  1.17399e+00  0.00000e+00 0.00000e+00 1.39296e+02 18.952  1.53954e+01 198.952 0.8469 
1 1 1 9  3  14 o 9  2.99440e+02 3.09301e+00 3.92861e+02 106.923 -5.69321e+00 1.87111e+01  0.00000e+00 0.00000e+00 3.38799e+02 106.923 5.40622e+01 286.923 0.9741 
1 1 1 9  3  15 o 12 1.58636e+02 3.50784e+00 2.57368e+02 166.894 -6.34017e+00 1.47607e+00  0.00000e+00 0.00000e+00 1.08114e+02 166.894 1.49254e+02 346.894 0.9196 
1 1 1 9  3  16 o 4  1.93788e+02 3.10571e+00 4.89527e+02 103.185 -3.38417e+00 1.44449e+01  0.00000e+00 0.00000e+00 2.13178e+01 283.185 5.10845e+02 283.185 0.9657 
1 1 1 9  3  17 o 16 2.03077e+02 3.21479e+00 2.09350e+02 276.576 8.93032e-01  -7.74680e+00 0.00000e+00 0.00000e+00 2.64268e+02 276.576 5.49184e+01 276.576 0.9335 
1 1 1 9  3  18 o 4  3.12788e+02 3.95535e+00 3.24783e+02 252.313 -5.52823e+00 -1.73358e+01 0.00000e+00 0.00000e+00 4.33748e+02 252.313 1.08966e+02 252.313 0.9721 
1 1 1 9  3  19 o 17 6.21774e+01 6.96382e+00 1.43981e+02 57.433  8.25521e-01  1.29247e+00  0.00000e+00 0.00000e+00 5.03931e+01 237.433 1.94374e+02 237.433 0.6043 
1 1 1 9  3  20 o 3  2.57712e+02 3.01831e+00 4.37636e+02 6.534   1.88591e+01  2.16003e+00  0.00000e+00 0.00000e+00 1.86037e+02 6.534   2.51598e+02 186.534 0.9733 
1 1 1 9  3  21 o 19 3.01551e+02 3.44853e+00 4.29992e+02 300.076 9.14787e+00  -1.57964e+01 0.00000e+00 0.00000e+00 2.97673e+02 300.076 1.32319e+02 120.076 0.9722 
1 1 1 9  3  22 o 6  5.31084e+02 4.17685e+00 5.32199e+02 254.787 -1.24265e+01 -4.56952e+01 0.00000e+00 0.00000e+00 7.69570e+02 254.787 2.37371e+02 254.787 0.9894 
1 1 1 9  3  23 o 8  3.10752e+02 3.13261e+00 3.43336e+02 260.948 -2.74217e+00 -1.72125e+01 0.00000e+00 0.00000e+00 4.02665e+02 260.948 5.93284e+01 260.948 0.9709 
1 1 1 9  3  24 o 2  1.98191e+02 3.19249e+00 1.30272e+02 36.066  2.81658e+00  2.05132e+00  0.00000e+00 0.00000e+00 2.80681e+02 36.066  1.50409e+02 36.066  0.8403 
1 1 1 9  3  25 o 5  1.99027e+02 3.91398e+00 2.76709e+02 358.468 9.55716e+00  -2.55606e-01 0.00000e+00 0.00000e+00 1.86996e+02 358.468 8.97131e+01 178.468 0.9462 
1 1 1 9  3  26 o 5  9.54111e+01 5.78360e+00 1.01041e+02 309.496 1.02714e+00  -1.24619e+00 0.00000e+00 0.00000e+00 4.50737e+01 309.496 5.59676e+01 129.496 0.6233 
1 1 1 9  3  27 o 17 2.99180e+02 3.25498e+00 3.87748e+02 117.732 -8.46299e+00 1.60979e+01  0.00000e+00 0.00000e+00 3.25207e+02 117.732 6.25413e+01 297.732 0.9721 
1 1 1 9  3  28 o 16 1.25333e+02 4.45821e+00 2.67745e+02 259.181 -1.18485e+00 -6.19989e+00 0.00000e+00 0.00000e+00 1.33138e+01 259.181 2.54431e+02 79.181  0.9170 
1 1 1 9  3  29 o 16 2.16700e+02 3.36380e+00 2.69255e+02 248.975 -4.34939e+00 -1.13156e+01 0.00000e+00 0.00000e+00 2.37107e+02 248.975 3.21485e+01 68.975  0.9578 
1 1 1 9  3  30 o 19 2.21293e+02 3.09772e+00 2.13775e+02 75.376  2.42777e+00  9.30420e+00  0.00000e+00 0.00000e+00 2.95898e+02 75.376  8.21232e+01 75.376  0.9465 
1 1 1 9  3  31 o 14 4.29046e+02 3.46189e+00 5.36372e+02 192.894 -4.71933e+01 -1.08032e+01 0.00000e+00 0.00000e+00 4.94111e+02 192.894 4.22609e+01 12.894  0.9896 
1 1 1 9  3  32 o 15 2.35003e+02 3.09991e+00 2.11091e+02 177.643 -1.12450e+01 4.62803e-01  0.00000e+00 0.00000e+00 3.31822e+02 177.643 1.20732e+02 177.643 0.9545 
1 1 1 9  3  33 o 15 5.22265e+02 3.90092e+00 5.42043e+02 115.323 -2.84903e+01 6.02096e+01  0.00000e+00 0.00000e+00 7.09014e+02 115.323 1.66971e+02 115.323 0.9925 
1 1 1 9  3  34 o 19 2.14416e+02 3.26511e+00 3.20754e+02 298.760 8.63957e+00  -1.57415e+01 0.00000e+00 0.00000e+00 1.80691e+02 298.760 1.40063e+02 118.760 0.9717 
1 1 1 9  3  35 o 14 1.48482e+02 3.83527e+00 1.18263e+02 22.895  4.34407e+00  1.83460e+00  0.00000e+00 0.00000e+00 1.97528e+02 22.895  7.92648e+01 22.895  0.8863 
1 1 1 9  3  36 o 18 3.58643e+02 4.51443e+00 4.86115e+02 258.113 -1.09634e+01 -5.20847e+01 0.00000e+00 0.00000e+00 3.63725e+02 258.113 1.22389e+02 78.113  0.9906 
1 1 1 9  3  37 o 18 1.84360e+02 3.62346e+00 2.29149e+02 233.517 -8.79363e+00 -1.18911e+01 0.00000e+00 0.00000e+00 1.95352e+02 233.517 3.37973e+01 53.517  0.9656 
1 1 1 9  3  38 o 4  2.51719e+02 3.47815e+00 2.21378e+02 114.211 -7.43833e+00 1.65428e+01  0.00000e+00 0.00000e+00 3.60213e+02 114.211 1.38835e+02 114.211 0.9720 
1 1 1 9  3  40 o 10 1.46337e+02 4.59799e+00 1.85384e+02 93.265  -6.00574e-01 1.05291e+01  0.00000e+00 0.00000e+00 1.43306e+02 93.265  4.20778e+01 273.265 0.9513 
1 1 1 9  3  41 o 7  2.44975e+02 3.43211e+00 1.99499e+02 78.215  4.38732e+00  2.10277e+01  0.00000e+00 0.00000e+00 3.63292e+02 78.215  1.63793e+02 78.215  0.9764 
1 1 1 9  3  42 o 1  3.46269e+02 3.16494e+00 3.64804e+02 340.257 5.17887e+01  -1.85872e+01 0.00000e+00 0.00000e+00 4.39567e+02 340.257 7.47635e+01 340.257 0.9909 
1 1 1 9  3  43 o 14 2.15343e+02 3.20415e+00 2.36154e+02 11.911  2.38283e+01  5.02636e+00  0.00000e+00 0.00000e+00 2.56404e+02 11.911  2.02495e+01 11.911  0.9792 
1 1 1 9  3  44 o 2  7.05833e+01 6.81775e+00 6.89818e+01 346.813 2.50610e+00  -5.87197e-01 0.00000e+00 0.00000e+00 5.79520e+01 346.813 1.10298e+01 166.813 0.7728 
1 1 1 9  3  45 o 10 4.94881e+01 8.03949e+00 1.13625e+02 19.226  2.53191e+00  8.82972e-01  0.00000e+00 0.00000e+00 2.37567e+01 199.226 1.37381e+02 199.226 0.7834 
1 1 1 9  3  46 o 8  1.39048e+02 3.80500e+00 1.82091e+02 127.421 -1.05091e+01 1.37346e+01  0.00000e+00 0.00000e+00 1.29550e+02 127.421 5.25410e+01 307.421 0.9706 
1 1 1 9  3  47 o 2  2.08242e+02 3.86396e+00 1.56198e+02 116.633 -9.88164e+00 1.97047e+01  0.00000e+00 0.00000e+00 3.11723e+02 116.633 1.55525e+02 116.633 0.9770 
1 1 1 9  3  48 o 10 9.93527e+01 5.93878e+00 1.34740e+02 196.576 -9.43678e+00 -2.80887e+00 0.00000e+00 0.00000e+00 8.09314e+01 196.576 5.38081e+01 16.576  0.9478 
1 1 1 9  3  49 o 4  6.23426e+01 1.03788e+01 8.72925e+01 326.538 2.99139e+00  -1.97709e+00 0.00000e+00 0.00000e+00 3.29253e+01 326.538 5.43673e+01 146.538 0.8455 
1 1 1 9  3  50 o 1  4.30462e+01 1.00042e+01 2.80539e+01 205.709 -8.85777e-01 -4.26469e-01 0.00000e+00 0.00000e+00 1.49976e+01 205.709 1.30563e+01 25.709  0.4404 
1 1 1 9  3  51 o 4  8.94599e+01 6.40161e+00 1.15440e+02 297.139 4.48179e+00  -8.74366e+00 0.00000e+00 0.00000e+00 7.62613e+01 297.139 3.91785e+01 117.139 0.9477 
1 1 1 9  3  52 o 8  9.49114e+01 5.82251e+00 1.35043e+02 15.288  1.16638e+01  3.18817e+00  0.00000e+00 0.00000e+00 6.95864e+01 15.288  6.54570e+01 195.288 0.9577 
1 1 1 9  3  53 o 14 1.71038e+02 3.60656e+00 1.59770e+02 103.696 -7.28804e+00 2.99054e+01  0.00000e+00 0.00000e+00 2.17253e+02 103.696 5.74832e+01 103.696 0.9836 
1 1 1 9  3  55 o 18 6.09780e+01 8.07023e+00 5.21361e+01 246.484 -1.58896e+00 -3.65160e+00 0.00000e+00 0.00000e+00 6.46806e+01 246.484 1.25445e+01 246.484 0.8628 
1 1 1 9  3  56 o 8  2.87492e+01 8.33643e+00 5.30950e+01 191.071 -1.80755e+00 -3.53684e-01 0.00000e+00 0.00000e+00 1.05321e+01 11.071  6.36271e+01 11.071  0.6700 
1 1 1 9  3  57 o 18 7.72128e+01 6.18222e+00 7.82609e+01 143.256 -6.68628e+00 4.99178e+00  0.00000e+00 0.00000e+00 8.09977e+01 143.256 2.73682e+00 143.256 0.9380 
1 1 1 9  3  58 o 3  1.25119e+02 4.22806e+00 1.03009e+02 50.424  1.30674e+01  1.58094e+01  0.00000e+00 0.00000e+00 1.63994e+02 50.424  6.09853e+01 50.424  0.9753 
1 1 1 9  3  59 o 7  1.04139e+02 4.71938e+00 1.41820e+02 320.681 1.75655e+01  -1.43871e+01 0.00000e+00 0.00000e+00 7.98403e+01 320.681 6.19798e+01 140.681 0.9777 
1 1 1 9  3  60 o 17 8.29809e+01 8.94895e+00 7.43131e+01 318.261 7.24593e+00  -6.46472e+00 0.00000e+00 0.00000e+00 9.58895e+01 318.261 2.15763e+01 318.261 0.9470 
1 1 1 9  3  61 o 12 5.24022e+01 9.45709e+00 5.06917e+01 241.620 -2.12278e+00 -3.92933e+00 0.00000e+00 0.00000e+00 4.85883e+01 241.620 2.10340e+00 61.620  0.8793 
1 1 1 9  3  62 o 18 4.05452e+01 1.13986e+01 3.05275e+01 111.006 -7.36332e-01 1.91766e+00  0.00000e+00 0.00000e+00 3.08618e+01 111.006 3.34360e-01 111.006 0.7065 
1 1 1 9  3  63 o 11 3.13122e+01 1.00767e+01 1.39853e+01 2.807   8.50517e-01  4.17074e-02  0.00000e+00 0.00000e+00 1.21343e+01 2.807   1.85095e+00 182.807 0.3913 
1 1 1 9  3  64 o 12 3.92113e+01 1.11563e+01 4.56560e+01 99.355  -5.79705e-01 3.51867e+00  0.00000e+00 0.00000e+00 2.45444e+01 99.355  2.11116e+01 279.355 0.8445 
1 1 1 9  3  65 o 19 1.14343e+02 8.36743e+00 9.74167e+01 137.143 -1.85520e+01 1.72134e+01  0.00000e+00 0.00000e+00 1.38834e+02 137.143 4.14173e+01 137.143 0.9800 
1 1 1 9  4  0  o 13 1.45008e+02 4.38556e+00 7.21648e+01 180.000 -8.72046e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.85758e+02 180.000 1.13593e+02 180.000 0.7024 
1 1 1 9  4  1  o 15 2.18923e+02 2.74476e+00 3.32572e+02 314.454 8.49512e+00  -8.65853e+00 0.00000e+00 0.00000e+00 1.98404e+02 314.454 1.34167e+02 134.454 0.9578 
1 1 1 9  4  2  o 4  2.18403e+02 3.22258e+00 2.63664e+02 288.633 3.05593e+00  -9.06316e+00 0.00000e+00 0.00000e+00 2.59532e+02 288.633 4.13178e+00 108.633 0.9462 
1 1 1 9  4  3  o 17 1.61188e+02 2.95842e+00 1.45441e+02 186.314 -3.85582e+00 -4.26647e-01 0.00000e+00 0.00000e+00 2.04924e+02 186.314 5.94827e+01 186.314 0.8587 
1 1 1 9  4  4  o 2  7.29801e+01 5.02518e+00 1.47793e+02 216.873 -1.41497e+00 -1.06134e+00 0.00000e+00 0.00000e+00 2.66632e+01 36.873  1.74457e+02 36.873  0.6559 
1 1 1 9  4  5  o 10 7.50314e+01 4.92679e+00 2.33999e+02 149.464 -2.46298e+00 1.45289e+00  0.00000e+00 0.00000e+00 8.23469e+01 329.464 3.16346e+02 329.464 0.7990 
1 1 1 9  4  6  o 14 2.20501e+02 2.76849e+00 1.81707e+02 98.116  -1.15915e+00 8.12849e+00  0.00000e+00 0.00000e+00 3.40645e+02 98.116  1.58938e+02 98.116  0.9370 
1 1 1 9  4  7  f 0  8.06488e+01 4.66940e+00 1.45154e+02 335.071 2.14468e+00  -9.96836e-01 0.00000e+00 0.00000e+00 7.58390e+00 335.071 1.37570e+02 155.071 0.7495 
1 1 1 9  4  8  o 18 2.68630e+02 3.07001e+00 3.64790e+02 17.995  1.86650e+01  6.06277e+00  0.00000e+00 0.00000e+00 2.96055e+02 17.995  6.87346e+01 197.995 0.9742 
1 1 1 9  4  9  o 14 1.18929e+02 3.51361e+00 1.10615e+02 266.776 -1.46153e-01 -2.59441e+00 0.00000e+00 0.00000e+00 1.22058e+02 266.776 1.14430e+01 266.776 0.7753 
1 1 1 9  4  10 o 18 2.23600e+02 2.78925e+00 3.04522e+02 36.727  1.06414e+01  7.93970e+00  0.00000e+00 0.00000e+00 2.37585e+02 36.727  6.69368e+01 216.727 0.9616 
1 1 1 9  4  11 o 3  3.45153e+02 3.25366e+00 3.33256e+02 108.056 -6.05360e+00 1.85694e+01  0.00000e+00 0.00000e+00 5.13646e+02 108.056 1.80390e+02 108.056 0.9741 
1 1 1 9  4  12 o 2  5.13791e+01 7.82627e+00 5.84601e+01 74.066  1.36513e-01  4.78166e-01  0.00000e+00 0.00000e+00 2.72663e+01 254.066 8.57263e+01 254.066 0.2413 
1 1 1 9  4  13 o 19 8.58182e+01 4.83436e+00 1.30266e+02 286.789 5.18607e-01  -1.71890e+00 0.00000e+00 0.00000e+00 1.23668e+01 286.789 1.17899e+02 106.789 0.6612 
1 1 1 9  4  14 o 14 3.24010e+02 2.93337e+00 3.65833e+02 280.884 3.54240e+00  -1.84228e+01 0.00000e+00 0.00000e+00 4.25742e+02 280.884 5.99091e+01 280.884 0.9730 
1 1 1 9  4  15 o 19 5.53815e+02 3.98574e+00 6.85289e+02 104.289 -1.45387e+01 5.70842e+01  0.00000e+00 0.00000e+00 6.91720e+02 104.289 6.43052e+00 104.289 0.9915 
1 1 1 9  4  16 o 4  8.52376e+01 4.97693e+00 8.49896e+01 233.819 -7.77461e-01 -1.06300e+00 0.00000e+00 0.00000e+00 3.18916e+01 233.819 5.30980e+01 53.819  0.5475 
1 1 1 9  4  17 o 14 1.25954e+02 4.13424e+00 1.58751e+02 9.322   3.51890e+00  5.77629e-01  0.00000e+00 0.00000e+00 1.07255e+02 9.322   5.14952e+01 189.322 0.8445 
1 1 1 9  4  18 o 17 1.38618e+02 3.64989e+00 2.22608e+02 96.266  -5.79414e-01 5.27714e+00  0.00000e+00 0.00000e+00 8.89498e+01 96.266  1.33658e+02 276.266 0.9001 
1 1 1 9  4  19 o 15 3.25552e+02 3.10823e+00 5.78738e+02 229.709 -2.04694e+01 -2.41443e+01 0.00000e+00 0.00000e+00 2.19974e+02 229.709 3.58765e+02 49.709  0.9841 
1 1 1 9  4  20 o 14 4.63994e+02 3.98615e+00 6.66997e+02 112.096 -1.63720e+01 4.03285e+01  0.00000e+00 0.00000e+00 4.74502e+02 112.096 1.92495e+02 292.096 0.9884 
1 1 1 9  4  21 o 11 9.38297e+01 5.22480e+00 8.01353e+01 107.442 -3.77220e-01 1.20065e+00  0.00000e+00 0.00000e+00 4.35438e+01 107.442 3.65915e+01 287.442 0.5305 
1 1 1 9  4  22 o 4  1.14535e+02 4.29669e+00 1.47884e+02 54.391  1.61200e+00  2.25084e+00  0.00000e+00 0.00000e+00 7.68765e+01 54.391  7.10071e+01 234.391 0.7913 
1 1 1 9  4  23 o 7  4.07629e+02 3.61569e+00 4.64600e+02 284.002 6.20295e+00  -2.48743e+01 0.00000e+00 0.00000e+00 5.24448e+02 284.002 5.98476e+01 284.002 0.9803 
1 1 1 9  4  24 o 7  5.12356e+02 3.80124e+00 5.67428e+02 306.698 3.03112e+01  -4.06683e+01 0.00000e+00 0.00000e+00 6.85603e+02 306.698 1.18176e+02 306.698 0.9901 
1 1 1 9  4  25 o 15 2.59794e+02 3.17271e+00 2.94072e+02 216.699 -1.03725e+01 -7.73116e+00 0.00000e+00 0.00000e+00 3.21019e+02 216.699 2.69476e+01 216.699 0.9605 
1 1 1 9  4  26 o 19 3.38704e+02 3.44921e+00 4.51819e+02 319.032 1.82402e+01  -1.58382e+01 0.00000e+00 0.00000e+00 3.63782e+02 319.032 8.80379e+01 139.032 0.9791 
1 1 1 9  4  27 o 15 5.44175e+02 4.18452e+00 7.38413e+02 12.716  7.43731e+01  1.67827e+01  0.00000e+00 0.00000e+00 5.88123e+02 12.716  1.50290e+02 192.716 0.9934 
1 1 1 9  4  28 o 18 5.71277e+02 4.31343e+00 6.53722e+02 167.145 -7.61538e+01 1.73792e+01  0.00000e+00 0.00000e+00 7.35803e+02 167.145 8.20811e+01 167.145 0.9936 
1 1 1 9  4  29 o 5  2.34386e+02 3.32355e+00 2.27521e+02 2.049   1.09378e+01  3.91412e-01  0.00000e+00 0.00000e+00 3.18046e+02 2.049   9.05244e+01 2.049   0.9532 
1 1 1 9  4  30 o 15 5.06818e+02 4.30579e+00 4.40354e+02 251.115 -1.43331e+01 -4.18995e+01 0.00000e+00 0.00000e+00 7.80141e+02 251.115 3.39787e+02 251.115 0.9886 
1 1 1 9  4  31 o 9  5.98546e+02 4.50849e+00 7.62902e+02 186.400 -9.33578e+01 -1.04724e+01 0.00000e+00 0.00000e+00 6.83452e+02 186.400 7.94498e+01 6.400   0.9947 
1 1 1 9  4  32 o 13 4.39609e+02 4.18334e+00 6.59143e+02 34.309  5.31532e+01  3.62713e+01  0.00000e+00 0.00000e+00 3.97642e+02 34.309  2.61501e+02 214.309 0.9922 
1 1 1 9  4  33 o 5  3.61302e+02 3.74103e+00 3.94427e+02 86.962  1.74247e+00  3.28343e+01  0.00000e+00 0.00000e+00 4.65113e+02 86.962  7.06864e+01 86.962  0.9847 
1 1 1 9  4  34 o 19 1.08345e+02 4.82910e+00 9.60598e+01 157.324 -2.45080e+00 1.02399e+00  0.00000e+00 0.00000e+00 1.07779e+02 157.324 1.17195e+01 157.324 0.7810 
1 1 1 9  4  36 o 1  2.80382e+02 3.97023e+00 2.71541e+02 241.439 -1.09407e+01 -2.00996e+01 0.00000e+00 0.00000e+00 3.85013e+02 241.439 1.13471e+02 241.439 0.9779 
1 1 1 9  4  37 o 4  2.24524e+02 3.24713e+00 2.93643e+02 287.825 6.95753e+00  -2.16377e+01 0.00000e+00 0.00000e+00 2.30377e+02 287.825 6.32658e+01 107.825 0.9777 
1 1 1 9  4  38 o 2  6.66655e+01 1.01124e+01 1.14083e+02 233.710 -1.39344e+00 -1.89764e+00 0.00000e+00 0.00000e+00 4.59109e+00 233.710 1.09492e+02 53.710  0.7482 
1 1 1 9  4  39 o 8  1.36375e+02 3.93597e+00 8.78388e+01 106.431 -1.34164e+00 4.54951e+00  0.00000e+00 0.00000e+00 1.99042e+02 106.431 1.11203e+02 106.431 0.8871 
1 1 1 9  4  40 o 11 1.47563e+02 4.46339e+00 1.50974e+02 335.831 9.03378e+00  -4.05416e+00 0.00000e+00 0.00000e+00 1.79662e+02 335.831 2.86883e+01 335.831 0.9481 
1 1 1 9  4  41 o 7  1.81966e+02 3.91215e+00 2.13542e+02 175.094 -1.67859e+01 1.44069e+00  0.00000e+00 0.00000e+00 2.02091e+02 175.094 1.14514e+01 355.094 0.9699 
1 1 1 9  4  42 o 16 1.96087e+02 3.82618e+00 1.38820e+02 86.214  7.70019e-01  1.16372e+01  0.00000e+00 0.00000e+00 3.01145e+02 86.214  1.62326e+02 86.214  0.9561 
1 1 1 9  4  43 o 2  3.08929e+02 3.37172e+00 4.35681e+02 93.371  -3.73832e+00 6.34652e+01  0.00000e+00 0.00000e+00 2.80926e+02 93.371  1.54754e+02 273.371 0.9921 
1 1 1 9  4  44 o 4  1.62573e+02 3.90949e+00 1.86889e+02 326.021 1.25730e+01  -8.47386e+00 0.00000e+00 0.00000e+00 1.79091e+02 326.021 7.79769e+00 146.021 0.9664 
1 1 1 9  4  45 o 6  1.94743e+02 3.79996e+00 1.84295e+02 278.687 3.57892e+00  -2.34235e+01 0.00000e+00 0.00000e+00 2.57952e+02 278.687 7.36570e+01 278.687 0.9787 
1 1 1 9  4  46 o 11 2.55018e+02 3.36121e+00 2.17496e+02 164.805 -3.62209e+01 9.83733e+00  0.00000e+00 0.00000e+00 3.64030e+02 164.805 1.46534e+02 164.805 0.9866 
1 1 1 9  4  47 o 3  1.14493e+02 4.55817e+00 4.58169e+01 123.842 -2.00074e+00 2.98398e+00  0.00000e+00 0.00000e+00 1.77112e+02 123.842 1.31295e+02 123.842 0.8458 
1 1 1 9  4  48 o 9  2.53861e+02 3.36169e+00 2.69141e+02 214.173 -4.19606e+01 -2.84871e+01 0.00000e+00 0.00000e+00 3.07111e+02 214.173 3.79699e+01 214.173 0.9901 
1 1 1 9  4  49 o 19 1.46039e+02 5.33607e+00 1.70389e+02 355.621 2.20127e+01  -1.68563e+00 0.00000e+00 0.00000e+00 1.55392e+02 355.621 1.49978e+01 175.621 0.9771 
1 1 1 9  4  50 o 17 1.53189e+02 4.38349e+00 1.33150e+02 233.076 -9.59726e+00 -1.27711e+01 0.00000e+00 0.00000e+00 2.04021e+02 233.076 7.08708e+01 233.076 0.9682 
1 1 1 9  4  51 o 3  1.29685e+02 4.81870e+00 1.81754e+02 331.046 2.07903e+01  -1.15026e+01 0.00000e+00 0.00000e+00 1.05541e+02 331.046 7.62127e+01 151.046 0.9787 
1 1 1 9  4  52 o 11 9.60296e+01 5.97779e+00 1.45929e+02 74.907  3.40211e+00  1.26152e+01  0.00000e+00 0.00000e+00 6.20155e+01 74.907  8.39134e+01 254.907 0.9609 
1 1 1 9  4  53 o 2  1.39765e+02 4.66222e+00 1.64503e+02 169.213 -2.69772e+01 5.13998e+00  0.00000e+00 0.00000e+00 1.43264e+02 169.213 2.12384e+01 349.213 0.9816 
1 1 1 9  4  54 o 2  1.02766e+02 8.12471e+00 1.00826e+02 293.342 3.62673e+00  -8.40404e+00 0.00000e+00 0.00000e+00 1.15721e+02 293.342 1.48953e+01 293.342 0.9437 
1 1 1 9  4  55 o 12 1.81636e+02 3.51120e+00 1.74343e+02 225.495 -3.07656e+01 -3.13024e+01 0.00000e+00 0.00000e+00 2.24712e+02 225.495 5.03690e+01 225.495 0.9885 
1 1 1 9  4  56 o 4  5.63738e+01 8.11430e+00 4.66834e+01 53.996  1.99168e+00  2.74094e+00  0.00000e+00 0.00000e+00 5.74379e+01 53.996  1.07545e+01 53.996  0.8350 
1 1 1 9  4  57 o 10 9.80911e+01 4.83287e+00 9.83059e+01 357.389 1.34929e+01  -6.15356e-01 0.00000e+00 0.00000e+00 1.09448e+02 357.389 1.11425e+01 357.389 0.9622 
1 1 1 9  4  58 o 10 9.97622e+01 4.90650e+00 8.70510e+01 142.577 -1.09385e+01 8.37009e+00  0.00000e+00 0.00000e+00 1.23360e+02 142.577 3.63090e+01 142.577 0.9630 
1 1 1 9  4  59 o 3  1.22823e+02 4.35995e+00 1.68937e+02 38.763  2.90978e+01  2.33644e+01  0.00000e+00 0.00000e+00 9.51047e+01 38.763  7.38324e+01 218.763 0.9865 
1 1 1 9  4  60 o 13 3.97419e+01 9.06851e+00 2.65365e+01 110.496 -5.81829e-01 1.55653e+00  0.00000e+00 0.00000e+00 2.80588e+01 110.496 1.52224e+00 110.496 0.6336 
1 1 1 9  4  61 o 2  2.82939e+01 8.78707e+00 1.42851e+01 214.561 -5.68433e-01 -3.91567e-01 0.00000e+00 0.00000e+00 5.61284e+00 214.561 8.67230e+00 34.561  0.3261 
1 1 1 9  4  62 o 16 1.08059e+02 5.21733e+00 6.88834e+01 329.663 1.37764e+01  -8.06220e+00 0.00000e+00 0.00000e+00 1.55554e+02 329.663 8.66709e+01 329.663 0.9682 
1 1 1 9  4  63 o 13 6.55537e+01 7.75336e+00 6.47715e+01 166.762 -8.76957e+00 2.06304e+00  0.00000e+00 0.00000e+00 6.70974e+01 166.762 2.32586e+00 166.762 0.9427 
1 1 1 9  4  64 o 13 1.18846e+02 5.45994e+00 8.50068e+01 230.810 -1.66064e+01 -2.03689e+01 0.00000e+00 0.00000e+00 1.62353e+02 230.810 7.73467e+01 230.810 0.9808 
1 1 1 9  4  65 o 3  4.84341e+01 8.75317e+00 2.90432e+01 80.239  5.98355e-01  3.47826e+00  0.00000e+00 0.00000e+00 5.70833e+01 80.239  2.80401e+01 80.239  0.8426 
1 1 1 9  5  0  o 6  9.05887e+01 5.83279e+00 1.00721e+02 180.000 -9.18730e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.58694e+01 180.000 3.48516e+01 0.000   0.7253 
1 1 1 9  5  1  o 18 3.29323e+02 2.86176e+00 4.97609e+02 139.911 -2.52846e+01 2.12835e+01  0.00000e+00 0.00000e+00 3.24618e+02 139.911 1.72991e+02 319.911 0.9848 
1 1 1 9  5  2  f 0  2.58382e+02 2.76999e+00 4.91716e+02 210.068 -2.21261e+01 -1.28096e+01 0.00000e+00 0.00000e+00 1.50354e+02 210.068 3.41362e+02 30.068  0.9802 
1 1 1 9  5  3  o 16 2.10094e+02 2.79176e+00 2.11589e+02 200.607 -8.34026e+00 -3.13606e+00 0.00000e+00 0.00000e+00 2.90060e+02 200.607 7.84710e+01 200.607 0.9421 
1 1 1 9  5  4  o 6  3.54091e+02 2.98163e+00 4.00642e+02 159.369 -2.64616e+01 9.96285e+00  0.00000e+00 0.00000e+00 4.80518e+02 159.369 7.98760e+01 159.369 0.9822 
1 1 1 9  5  5  o 13 1.26287e+02 3.57496e+00 4.75347e+01 66.066  4.81620e-01  1.08511e+00  0.00000e+00 0.00000e+00 1.15205e+02 66.066  6.76707e+01 66.066  0.5088 
1 1 1 9  5  6  o 5  3.24556e+02 2.91631e+00 5.01130e+02 301.819 1.68392e+01  -2.71387e+01 0.00000e+00 0.00000e+00 3.07533e+02 301.819 1.93598e+02 121.819 0.9842 
1 1 1 9  5  7  o 4  1.47487e+02 3.17557e+00 2.20160e+02 132.745 -3.78868e+00 4.09926e+00  0.00000e+00 0.00000e+00 1.17674e+02 132.745 1.02485e+02 312.745 0.9053 
1 1 1 9  5  8  o 9  1.82849e+02 2.92055e+00 2.49997e+02 293.357 3.08578e+00  -7.14540e+00 0.00000e+00 0.00000e+00 1.81523e+02 293.357 6.84742e+01 113.357 0.9334 
1 1 1 9  5  9  o 12 7.99673e+01 4.94188e+00 3.06653e+02 265.699 -3.08661e-01 -4.10464e+00 0.00000e+00 0.00000e+00 1.31305e+02 85.700  4.37958e+02 85.700  0.8678 
1 1 1 9  5  10 o 10 1.98570e+02 3.00600e+00 2.16387e+02 95.168  -6.44261e-01 7.12263e+00  0.00000e+00 0.00000e+00 2.48416e+02 95.168  3.20293e+01 95.168  0.9272 
1 1 1 9  5  11 o 17 2.00169e+02 3.39298e+00 1.97406e+02 268.700 -1.43797e-01 -6.33657e+00 0.00000e+00 0.00000e+00 2.65731e+02 268.700 6.83241e+01 268.700 0.9173 
1 1 1 9  5  12 o 9  2.73545e+01 8.00753e+00 1.58587e+02 154.077 -6.10242e-01 2.96621e-01  0.00000e+00 0.00000e+00 1.36453e+02 334.077 2.95039e+02 334.077 0.3211 
1 1 1 9  5  13 o 13 1.30662e+02 3.70118e+00 1.98488e+02 1.089   4.03364e+00  7.66651e-02  0.00000e+00 0.00000e+00 8.59428e+01 1.089   1.12545e+02 181.089 0.8648 
1 1 1 9  5  14 f 0  4.00981e+02 3.19726e+00 5.90675e+02 3.209   4.33171e+01  2.42895e+00  0.00000e+00 0.00000e+00 4.05758e+02 3.209   1.84917e+02 183.209 0.9884 
1 1 1 9  5  15 o 5  5.57295e+01 7.19033e+00 2.94269e+02 227.632 -1.96885e+00 -2.15860e+00 0.00000e+00 0.00000e+00 1.81757e+02 47.632  4.76026e+02 47.632  0.8040 
1 1 1 9  5  16 o 19 2.79190e+02 3.09431e+00 5.09537e+02 26.386  2.21569e+01  1.09920e+01  0.00000e+00 0.00000e+00 1.76268e+02 26.386  3.33269e+02 206.386 0.9796 
1 1 1 9  5  17 o 3  3.93729e+02 3.61274e+00 4.92623e+02 97.097  -4.07193e+00 3.27073e+01  0.00000e+00 0.00000e+00 4.78228e+02 97.097  1.43955e+01 277.097 0.9847 
1 1 1 9  5  18 o 2  2.84111e+02 3.22415e+00 4.07113e+02 16.784  1.58168e+01  4.77058e+00  0.00000e+00 0.00000e+00 2.81401e+02 16.784  1.25713e+02 196.784 0.9692 
1 1 1 9  5  19 o 18 3.28125e+02 3.49047e+00 4.24094e+02 134.662 -1.36427e+01 1.38047e+01  0.00000e+00 0.00000e+00 3.73618e+02 134.662 5.04763e+01 314.662 0.9739 
1 1 1 9  5  20 o 14 3.37375e+02 3.35556e+00 4.69249e+02 128.307 -1.63622e+01 2.07126e+01  0.00000e+00 0.00000e+00 3.55443e+02 128.307 1.13806e+02 308.307 0.9809 
1 1 1 9  5  21 o 6  1.21155e+02 4.10632e+00 3.13525e+02 204.992 -5.59755e+00 -2.60921e+00 0.00000e+00 0.00000e+00 3.77432e+01 24.992  3.51268e+02 24.992  0.9150 
1 1 1 9  5  22 f 0  2.57295e+02 3.31248e+00 2.78753e+02 34.406  7.97322e+00  5.46070e+00  0.00000e+00 0.00000e+00 3.26118e+02 34.406  4.73650e+01 34.406  0.9468 
1 1 1 9  5  23 o 2  6.99051e+02 5.19856e+00 8.51495e+02 343.818 9.90658e+01  -2.87467e+01 0.00000e+00 0.00000e+00 8.72529e+02 343.818 2.10337e+01 343.818 0.9951 
1 1 1 9  5  24 o 12 1.92663e+02 3.92891e+00 2.97492e+02 159.591 -9.06302e+00 3.37216e+00  0.00000e+00 0.00000e+00 1.53659e+02 159.591 1.43833e+02 339.591 0.9468 
1 1 1 9  5  25 o 15 3.32896e+02 3.27438e+00 4.71286e+02 330.769 2.15912e+01  -1.20821e+01 0.00000e+00 0.00000e+00 3.33535e+02 330.769 1.37751e+02 150.769 0.9796 
1 1 1 9  5  26 o 14 3.01306e+02 3.29826e+00 3.30030e+02 234.587 -1.09514e+01 -1.54027e+01 0.00000e+00 0.00000e+00 3.92065e+02 234.587 6.20350e+01 234.587 0.9732 
1 1 1 9  5  27 o 10 5.01334e+02 4.14394e+00 6.35991e+02 262.213 -9.05299e+00 -6.62033e+01 0.00000e+00 0.00000e+00 5.86529e+02 262.213 4.94623e+01 82.213  0.9925 
1 1 1 9  5  28 o 9  5.28617e+02 3.83077e+00 5.62238e+02 251.347 -1.95407e+01 -5.78880e+01 0.00000e+00 0.00000e+00 7.22842e+02 251.347 1.60605e+02 251.347 0.9918 
1 1 1 9  5  29 o 16 2.53065e+02 3.23510e+00 3.72384e+02 16.232  1.80539e+01  5.25623e+00  0.00000e+00 0.00000e+00 2.29711e+02 16.232  1.42673e+02 196.232 0.9730 
1 1 1 9  5  30 o 4  2.22539e+02 3.11642e+00 1.05685e+02 189.939 -4.80097e+00 -8.41267e-01 0.00000e+00 0.00000e+00 3.77575e+02 189.939 2.71890e+02 189.939 0.8904 
1 1 1 9  5  31 o 8  4.45931e+02 4.99544e+00 5.81745e+02 107.615 -1.74958e+01 5.51031e+01  0.00000e+00 0.00000e+00 4.93570e+02 107.615 8.81744e+01 287.615 0.9913 
1 1 1 9  5  32 o 2  4.75351e+02 3.81940e+00 5.57086e+02 31.928  5.21906e+01  3.25216e+01  0.00000e+00 0.00000e+00 5.86662e+02 31.928  2.95760e+01 31.928  0.9918 
1 1 1 9  5  33 o 5  2.44800e+02 3.25385e+00 2.59439e+02 196.174 -1.57446e+01 -4.56639e+00 0.00000e+00 0.00000e+00 3.14408e+02 196.174 5.49697e+01 196.174 0.9690 
1 1 1 9  5  35 o 14 1.75194e+02 3.93824e+00 2.80388e+02 142.835 -1.18723e+01 8.99999e+00  0.00000e+00 0.00000e+00 1.26554e+02 142.835 1.53834e+02 322.835 0.9658 
1 1 1 9  5  36 o 18 3.81151e+02 3.73038e+00 3.91533e+02 229.099 -3.39598e+01 -3.92026e+01 0.00000e+00 0.00000e+00 5.13471e+02 229.099 1.21939e+02 229.099 0.9903 
1 1 1 9  5  37 o 6  1.30680e+02 4.88066e+00 2.79390e+02 45.497  8.24221e+00  8.38643e+00  0.00000e+00 0.00000e+00 1.93548e+01 45.497  2.60035e+02 225.497 0.9565 
1 1 1 9  5  39 o 18 2.10315e+02 3.53209e+00 9.85759e+01 67.748  3.05339e+00  7.46291e+00  0.00000e+00 0.00000e+00 3.68732e+02 67.748  2.70157e+02 67.748  0.9358 
1 1 1 9  5  40 o 15 4.67678e+01 9.22194e+00 4.99039e+01 98.984  -1.54326e-01 9.76134e-01  0.00000e+00 0.00000e+00 9.63692e-01 278.984 5.08676e+01 278.984 0.4422 
1 1 1 9  5  41 o 10 1.54004e+02 3.92485e+00 1.71894e+02 303.436 6.32593e+00  -9.58056e+00 0.00000e+00 0.00000e+00 1.75073e+02 303.436 3.17862e+00 303.436 0.9554 
1 1 1 9  5  42 o 12 1.82736e+02 3.62735e+00 2.19757e+02 52.690  1.16324e+01  1.52644e+01  0.00000e+00 0.00000e+00 1.98279e+02 52.690  2.14786e+01 232.690 0.9736 
1 1 1 9  5  43 o 13 5.59778e+01 9.95811e+00 9.14903e+01 291.906 9.78525e-01  -2.43347e+00 0.00000e+00 0.00000e+00 1.04303e+01 291.906 8.10599e+01 111.906 0.7777 
1 1 1 9  5  44 o 19 1.10325e+02 5.50663e+00 1.51170e+02 260.092 -1.89639e+00 -1.08569e+01 0.00000e+00 0.00000e+00 9.41789e+01 260.092 5.69911e+01 80.092  0.9535 
1 1 1 9  5  45 o 16 6.52058e+01 8.54127e+00 1.27410e+02 94.964  -4.70194e-01 5.41311e+00  0.00000e+00 0.00000e+00 9.32609e+00 94.964  1.18084e+02 274.964 0.9026 
1 1 1 9  5  46 o 12 1.00711e+02 5.61021e+00 1.08177e+02 286.677 2.09759e+00  -7.00166e+00 0.00000e+00 0.00000e+00 1.08311e+02 286.677 1.34157e-01 286.677 0.9288 
1 1 1 9  5  47 o 18 1.81721e+02 3.47923e+00 2.13701e+02 101.382 -5.76881e+00 2.86572e+01  0.00000e+00 0.00000e+00 1.97944e+02 101.382 1.57564e+01 281.382 0.9827 
1 1 1 9  5  48 o 1  3.13492e+01 8.87620e+00 7.10439e+01 226.404 -1.03811e+00 -1.09029e+00 0.00000e+00 0.00000e+00 2.80460e+01 46.404  9.90899e+01 46.404  0.5975 
1 1 1 9  5  49 o 18 5.34993e+01 8.82029e+00 6.66033e+01 251.476 -8.54719e-01 -2.55087e+00 0.00000e+00 0.00000e+00 2.93046e+01 251.476 3.72987e+01 71.476  0.7842 
1 1 1 9  5  50 o 2  3.98566e+01 1.01007e+01 5.47838e+01 119.962 -9.77763e-01 1.69615e+00  0.00000e+00 0.00000e+00 7.88148e+00 119.962 4.69023e+01 299.962 0.6907 
1 1 1 9  5  51 o 10 9.74729e+01 4.27711e+00 9.92162e+01 246.199 -3.76590e+00 -8.53819e+00 0.00000e+00 0.00000e+00 1.09499e+02 246.199 1.02832e+01 246.199 0.9448 
1 1 1 9  5  52 o 17 6.20442e+01 9.57673e+00 9.51606e+01 74.462  1.62906e+00  5.85919e+00  0.00000e+00 0.00000e+00 3.27375e+01 74.462  6.24231e+01 254.462 0.9136 
1 1 1 9  5  54 o 18 8.50902e+01 6.36433e+00 4.22493e+01 61.986  2.20525e+00  4.14502e+00  0.00000e+00 0.00000e+00 1.26268e+02 61.986  8.40192e+01 61.986  0.8858 
1 1 1 9  5  55 o 19 7.99785e+01 7.23938e+00 1.09813e+02 350.238 1.07641e+01  -1.85186e+00 0.00000e+00 0.00000e+00 5.98091e+01 350.238 5.00044e+01 170.238 0.9531 
1 1 1 9  5  56 o 15 1.86045e+02 3.64986e+00 2.20807e+02 165.578 -5.75791e+01 1.48069e+01  0.00000e+00 0.00000e+00 1.87742e+02 165.578 3.30655e+01 345.578 0.9916 
1 1 1 9  5  57 f 0  9.40851e+01 5.29429e+00 1.21081e+02 105.053 -4.66543e+00 1.73479e+01  0.00000e+00 0.00000e+00 8.04175e+01 105.053 4.06632e+01 285.053 0.9718 
1 1 1 9  5  58 o 4  3.35695e+01 9.23851e+00 6.86606e+01 278.141 4.57300e-01  -3.19666e+00 0.00000e+00 0.00000e+00 7.88170e+00 98.141  7.65423e+01 98.141  0.8256 
1 1 1 9  5  59 o 19 8.17310e+01 6.26539e+00 7.57644e+01 120.142 -5.30949e+00 9.14398e+00  0.00000e+00 0.00000e+00 9.39146e+01 120.142 1.81503e+01 120.142 0.9515 
1 1 1 9  5  60 o 1  8.53361e+01 5.77381e+00 7.09122e+01 283.742 2.44724e+00  -1.00075e+01 0.00000e+00 0.00000e+00 1.05100e+02 283.742 3.41882e+01 283.742 0.9502 
1 1 1 9  5  61 o 1  1.27779e+02 4.31970e+00 1.12718e+02 27.690  2.66558e+01  1.39887e+01  0.00000e+00 0.00000e+00 1.58597e+02 27.690  4.58792e+01 27.690  0.9832 
1 1 1 9  5  62 o 12 9.87953e+01 5.69514e+00 7.55146e+01 170.170 -1.68471e+01 2.91911e+00  0.00000e+00 0.00000e+00 1.30401e+02 170.170 5.48864e+01 170.170 0.9703 
1 1 1 9  5  63 o 12 5.78353e+01 8.32582e+00 3.64323e+01 127.384 -2.90839e+00 3.80618e+00  0.00000e+00 0.00000e+00 7.33282e+01 127.384 3.68959e+01 127.384 0.8883 
1 1 1 9  5  64 o 18 4.84361e+01 9.46721e+00 3.66907e+01 47.630  2.61944e+00  2.87170e+00  0.00000e+00 0.00000e+00 5.17194e+01 47.630  1.50287e+01 47.630  0.8590 
1 1 1 9  6  0  o 16 4.32166e+01 1.31192e+01 2.05939e+02 180.000 -7.44603e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.36588e+02 0.000   3.42527e+02 0.000   0.6319 
1 1 1 9  6  1  o 16 2.39541e+02 2.74081e+00 3.04036e+02 127.435 -7.52836e+00 9.83437e+00  0.00000e+00 0.00000e+00 2.79141e+02 127.435 2.48951e+01 307.435 0.9587 
1 1 1 9  6  2  o 10 2.50713e+01 7.59444e+00 9.65122e+01 24.205  3.70586e-01  1.66589e-01  0.00000e+00 0.00000e+00 8.38400e+01 204.205 1.80352e+02 204.205 0.1991 
1 1 1 9  6  3  o 5  1.63104e+02 2.93497e+00 2.63867e+02 112.515 -2.78771e+00 6.72529e+00  0.00000e+00 0.00000e+00 1.20578e+02 112.515 1.43290e+02 292.515 0.9285 
1 1 1 9  6  4  o 13 2.60776e+02 3.19279e+00 4.33407e+02 101.778 -3.88428e+00 1.86281e+01  0.00000e+00 0.00000e+00 2.10734e+02 101.778 2.22673e+02 281.778 0.9734 
1 1 1 9  6  5  f 0  3.53639e+02 3.05514e+00 3.91302e+02 92.721  -1.10014e+00 2.31477e+01  0.00000e+00 0.00000e+00 4.86205e+02 92.721  9.49027e+01 92.721  0.9782 
1 1 1 9  6  6  o 4  1.26965e+02 3.40358e+00 4.51257e+01 230.301 -6.08529e-01 -7.33015e-01 0.00000e+00 0.00000e+00 9.30994e+01 230.301 4.79737e+01 230.301 0.4294 
1 1 1 9  6  7  o 18 4.31219e+02 3.29591e+00 6.60799e+02 280.807 8.60818e+00  -4.50967e+01 0.00000e+00 0.00000e+00 4.19983e+02 280.807 2.40816e+02 100.807 0.9890 
1 1 1 9  6  8  o 13 3.69220e+02 3.05069e+00 4.71126e+02 213.456 -2.31646e+01 -1.53066e+01 0.00000e+00 0.00000e+00 4.46908e+02 213.456 2.42178e+01 33.456  0.9818 
1 1 1 9  6  9  o 19 2.61464e+02 2.85111e+00 3.99385e+02 182.679 -1.64761e+01 -7.70838e-01 0.00000e+00 0.00000e+00 2.41892e+02 182.679 1.57493e+02 2.679   0.9692 
1 1 1 9  6  10 o 2  4.18828e+02 3.39955e+00 4.35661e+02 29.849  2.46919e+01  1.41694e+01  0.00000e+00 0.00000e+00 6.04586e+02 29.849  1.68925e+02 29.849  0.9823 
1 1 1 9  6  11 o 17 2.01618e+02 3.24044e+00 2.76185e+02 270.156 2.80432e-02  -1.02637e+01 0.00000e+00 0.00000e+00 2.07662e+02 270.156 6.85226e+01 90.157  0.9500 
1 1 1 9  6  12 o 15 4.17930e+02 3.48290e+00 3.87426e+02 295.597 1.27004e+01  -2.65113e+01 0.00000e+00 0.00000e+00 6.49218e+02 295.597 2.61792e+02 295.597 0.9828 
1 1 1 9  6  13 o 5  7.31553e+01 7.75133e+00 1.08472e+02 0.052   1.40329e+00  1.27932e-03  0.00000e+00 0.00000e+00 3.10996e+00 180.052 1.11582e+02 180.052 0.5713 
1 1 1 9  6  14 o 17 4.78067e+01 8.92670e+00 5.78125e+01 190.868 -4.63038e-01 -8.89025e-02 0.00000e+00 0.00000e+00 3.01935e+01 10.868  8.80061e+01 10.868  0.2294 
1 1 1 9  6  15 o 10 3.10062e+02 3.50292e+00 2.46735e+02 57.523  6.97536e+00  1.09590e+01  0.00000e+00 0.00000e+00 5.02407e+02 57.523  2.55672e+02 57.523  0.9607 
1 1 1 9  6  16 o 15 1.49674e+02 3.74843e+00 1.41147e+02 20.849  2.82301e+00  1.07515e+00  0.00000e+00 0.00000e+00 1.63912e+02 20.849  2.27648e+01 20.849  0.8115 
1 1 1 9  6  17 o 7  1.37874e+02 3.77681e+00 1.86189e+02 139.487 -2.73290e+00 2.33521e+00  0.00000e+00 0.00000e+00 1.06313e+02 139.487 7.98765e+01 319.487 0.8459 
1 1 1 9  6  18 o 6  3.34397e+02 3.24424e+00 4.73428e+02 149.896 -2.29938e+01 1.33311e+01  0.00000e+00 0.00000e+00 3.48064e+02 149.896 1.25364e+02 329.896 0.9810 
1 1 1 9  6  19 o 19 1.56685e+02 3.46391e+00 9.95416e+01 136.649 -1.86242e+00 1.75820e+00  0.00000e+00 0.00000e+00 2.02689e+02 136.649 1.03147e+02 136.649 0.7715 
1 1 1 9  6  20 o 2  7.26359e+02 5.04147e+00 7.96129e+02 79.881  1.38165e+01  7.74202e+01  0.00000e+00 0.00000e+00 1.00530e+03 79.881  2.09176e+02 79.881  0.9936 
1 1 1 9  6  21 o 7  2.48359e+02 3.11269e+00 2.60021e+02 253.159 -3.30209e+00 -1.09088e+01 0.00000e+00 0.00000e+00 3.30986e+02 253.159 7.09648e+01 253.159 0.9551 
1 1 1 9  6  22 o 19 2.68424e+02 3.30653e+00 3.58369e+02 30.171  1.42808e+01  8.30199e+00  0.00000e+00 0.00000e+00 2.88663e+02 30.171  6.97058e+01 210.171 0.9692 
1 1 1 9  6  23 o 7  3.48080e+02 3.23630e+00 3.60009e+02 247.483 -7.71281e+00 -1.86044e+01 0.00000e+00 0.00000e+00 4.82250e+02 247.483 1.22241e+02 247.483 0.9748 
1 1 1 9  6  24 o 17 2.21155e+02 3.26346e+00 1.82259e+02 245.994 -3.18259e+00 -7.14635e+00 0.00000e+00 0.00000e+00 3.29254e+02 245.994 1.46995e+02 245.994 0.9337 
1 1 1 9  6  25 o 12 4.43934e+02 3.82896e+00 6.02650e+02 305.994 2.96225e+01  -4.07814e+01 0.00000e+00 0.00000e+00 4.83769e+02 305.994 1.18880e+02 125.994 0.9900 
1 1 1 9  6  26 o 9  7.12306e+02 5.10604e+00 7.51534e+02 220.944 -8.40996e+01 -7.29629e+01 0.00000e+00 0.00000e+00 9.97438e+02 220.944 2.45904e+02 220.944 0.9955 
1 1 1 9  6  27 o 11 5.93020e+02 4.39361e+00 7.54234e+02 92.674  -4.26409e+00 9.12904e+01  0.00000e+00 0.00000e+00 6.97085e+02 92.674  5.71488e+01 272.674 0.9945 
1 1 1 9  6  28 o 11 3.20328e+02 3.67879e+00 3.67574e+02 290.669 8.83616e+00  -2.34222e+01 0.00000e+00 0.00000e+00 4.02961e+02 290.669 3.53877e+01 290.669 0.9798 
1 1 1 9  6  29 o 4  4.39696e+01 1.14800e+01 5.13523e+01 242.990 -2.05722e-01 -4.03569e-01 0.00000e+00 0.00000e+00 2.75687e+01 62.990  7.89210e+01 62.990  0.2209 
1 1 1 9  6  30 o 19 1.02783e+02 6.69328e+00 1.72259e+02 231.937 -2.41768e+00 -3.08743e+00 0.00000e+00 0.00000e+00 4.37725e+01 231.937 1.28487e+02 51.937  0.8604 
1 1 1 9  6  31 o 19 3.04753e+02 4.59157e+00 3.59013e+02 295.545 1.09357e+01  -2.28809e+01 0.00000e+00 0.00000e+00 3.68678e+02 295.545 9.66582e+00 295.545 0.9801 
1 1 1 9  6  32 o 6  2.80659e+02 4.17399e+00 2.70065e+02 40.412  1.48816e+01  1.26704e+01  0.00000e+00 0.00000e+00 3.94177e+02 40.412  1.24112e+02 40.412  0.9741 
1 1 1 9  6  34 o 4  2.51250e+02 3.06599e+00 3.41634e+02 53.280  1.56485e+01  2.09791e+01  0.00000e+00 0.00000e+00 2.53656e+02 53.280  8.79788e+01 233.280 0.9807 
1 1 1 9  6  35 o 4  1.31501e+02 4.36170e+00 1.94653e+02 312.100 5.97547e+00  -6.61310e+00 0.00000e+00 0.00000e+00 1.03761e+02 312.100 9.08919e+01 132.100 0.9421 
1 1 1 9  6  36 o 5  3.05609e+02 3.21009e+00 3.32867e+02 147.717 -2.79787e+01 1.76755e+01  0.00000e+00 0.00000e+00 3.89841e+02 147.717 5.69734e+01 147.717 0.9848 
1 1 1 9  6  38 o 2  9.33048e+01 5.78819e+00 8.05260e+01 335.931 2.65912e+00  -1.18775e+00 0.00000e+00 0.00000e+00 9.83134e+01 335.931 1.77874e+01 335.931 0.8033 
1 1 1 9  6  39 o 9  3.17626e+02 4.24977e+00 5.17996e+02 82.352  9.66203e+00  7.19506e+01  0.00000e+00 0.00000e+00 2.32157e+02 82.352  2.85840e+02 262.352 0.9931 
1 1 1 9  6  40 o 11 1.23629e+02 4.73718e+00 1.28848e+02 304.037 3.88273e+00  -5.74842e+00 0.00000e+00 0.00000e+00 1.42136e+02 304.037 1.32879e+01 304.037 0.9248 
1 1 1 9  6  41 o 12 6.11241e+01 8.66387e+00 1.12468e+02 0.097   3.19994e+00  5.39142e-03  0.00000e+00 0.00000e+00 6.45118e+00 0.097   1.06017e+02 180.097 0.8237 
1 1 1 9  6  42 o 12 2.64409e+02 3.29461e+00 2.92780e+02 87.908  1.54153e+00  4.22060e+01  0.00000e+00 0.00000e+00 3.22065e+02 87.908  2.92850e+01 87.908  0.9881 
1 1 1 9  6  43 o 12 7.64942e+01 7.71406e+00 5.37043e+01 273.412 1.18125e-01  -1.98097e+00 0.00000e+00 0.00000e+00 7.09896e+01 273.412 1.72853e+01 273.412 0.6952 
1 1 1 9  6  44 o 10 1.15823e+02 5.50880e+00 1.45912e+02 193.578 -1.12113e+01 -2.70778e+00 0.00000e+00 0.00000e+00 1.12639e+02 193.578 3.32725e+01 13.578  0.9556 
1 1 1 9  6  45 f 0  2.56951e+02 3.77562e+00 3.20222e+02 168.512 -5.53962e+01 1.12582e+01  0.00000e+00 0.00000e+00 2.72400e+02 168.512 4.78215e+01 348.512 0.9911 
1 1 1 9  6  46 o 16 1.13858e+02 5.28676e+00 9.36033e+01 284.418 1.80088e+00  -7.00494e+00 0.00000e+00 0.00000e+00 1.51320e+02 284.418 5.77166e+01 284.418 0.9280 
1 1 1 9  6  47 o 2  8.10456e+01 6.97449e+00 1.34844e+02 193.010 -7.45067e+00 -1.72144e+00 0.00000e+00 0.00000e+00 3.95597e+01 193.010 9.52838e+01 13.010  0.9321 
1 1 1 9  6  48 o 4  6.67439e+01 8.40679e+00 3.25937e+01 56.448  1.02110e+00  1.53965e+00  0.00000e+00 0.00000e+00 7.03864e+01 56.448  3.77927e+01 56.448  0.6711 
1 1 1 9  6  49 o 4  1.20909e+02 4.92478e+00 1.16688e+02 90.994  -2.41144e-01 1.39001e+01  0.00000e+00 0.00000e+00 1.49995e+02 90.994  3.33079e+01 90.994  0.9633 
1 1 1 9  6  50 o 2  4.20643e+01 9.49517e+00 2.13294e+01 205.301 -7.58927e-01 -3.58760e-01 0.00000e+00 0.00000e+00 1.57481e+01 205.301 5.58124e+00 25.301  0.3866 
1 1 1 9  6  51 o 8  7.48533e+01 6.86644e+00 9.11251e+01 257.096 -1.67434e+00 -7.30856e+00 0.00000e+00 0.00000e+00 6.70124e+01 257.096 2.41127e+01 77.097  0.9307 
1 1 1 9  6  52 o 2  1.50604e+02 5.40484e+00 7.42906e+01 98.031  -1.85030e+00 1.31146e+01  0.00000e+00 0.00000e+00 2.52942e+02 98.031  1.78651e+02 98.031  0.9615 
1 1 1 9  6  53 f 0  8.34513e+01 5.12050e+00 1.00310e+02 323.392 9.08044e+00  -6.74560e+00 0.00000e+00 0.00000e+00 7.89259e+01 323.392 2.13839e+01 143.392 0.9547 
1 1 1 9  6  54 o 16 9.29281e+01 4.48857e+00 1.13332e+02 47.082  9.84425e+00  1.05870e+01  0.00000e+00 0.00000e+00 8.74299e+01 47.082  2.59019e+01 227.082 0.9648 
1 1 1 9  6  55 o 17 3.43964e+01 9.41473e+00 4.02341e+01 183.646 -1.72540e+00 -1.09953e-01 0.00000e+00 0.00000e+00 9.43099e+00 183.646 3.08031e+01 3.646   0.6478 
1 1 1 9  6  56 o 6  3.59284e+01 9.75638e+00 7.84097e+01 231.725 -2.49285e+00 -3.15932e+00 0.00000e+00 0.00000e+00 9.51778e+00 51.725  8.79274e+01 51.725  0.8645 
1 1 1 9  6  57 o 13 3.40502e+01 8.98299e+00 2.35601e+01 343.549 1.11408e+00  -3.28970e-01 0.00000e+00 0.00000e+00 1.40758e+01 343.549 9.48420e+00 163.549 0.5007 
1 1 1 9  6  58 o 9  4.14687e+01 9.37274e+00 5.36713e+01 248.117 -1.31849e+00 -3.28270e+00 0.00000e+00 0.00000e+00 2.31156e+01 248.117 3.05557e+01 68.117  0.8430 
1 1 1 9  6  59 o 7  4.85549e+01 9.26578e+00 4.46423e+01 99.213  -5.45389e-01 3.36234e+00  0.00000e+00 0.00000e+00 4.40720e+01 99.213  5.70337e-01 279.213 0.8361 
1 1 1 9  6  60 o 4  7.12011e+01 7.60276e+00 5.77924e+01 50.327  4.67332e+00  5.63448e+00  0.00000e+00 0.00000e+00 8.60123e+01 50.327  2.82199e+01 50.327  0.9289 
1 1 1 9  6  61 o 16 6.52654e+01 7.86801e+00 4.48794e+01 199.019 -5.52473e+00 -1.90439e+00 0.00000e+00 0.00000e+00 8.35568e+01 199.019 3.86774e+01 199.019 0.9099 
1 1 1 9  6  62 o 1  9.16576e+01 5.71113e+00 1.12994e+02 274.228 1.73752e+00  -2.35051e+01 0.00000e+00 0.00000e+00 7.99704e+01 274.228 3.30237e+01 94.228  0.9786 
1 1 1 9  6  63 o 13 3.83801e+01 9.67523e+00 6.56490e+01 14.272  5.42252e+00  1.37939e+00  0.00000e+00 0.00000e+00 8.72356e+00 14.272  5.69254e+01 194.272 0.9056 
1 1 1 9  6  64 o 19 4.72636e+01 9.77019e+00 5.73189e+01 232.194 -3.98439e+00 -5.13553e+00 0.00000e+00 0.00000e+00 3.51672e+01 232.194 2.21517e+01 52.194  0.9195 
1 1 1 9  7  0  o 9  1.28078e+02 4.96589e+00 2.03419e+02 0.000   2.06128e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.12040e+02 0.000   9.13786e+01 180.000 0.9681 
1 1 1 9  7  1  o 19 4.39933e+02 3.36012e+00 6.29842e+02 326.682 3.66233e+01  -2.40736e+01 0.00000e+00 0.00000e+00 4.76523e+02 326.682 1.53319e+02 146.682 0.9885 
1 1 1 9  7  2  o 7  2.96782e+02 2.86490e+00 3.74376e+02 5.590   1.74690e+01  1.70982e+00  0.00000e+00 0.00000e+00 3.58721e+02 5.590   1.56555e+01 185.590 0.9711 
1 1 1 9  7  3  o 6  3.10869e+02 2.90705e+00 3.68652e+02 157.164 -1.66338e+01 7.00441e+00  0.00000e+00 0.00000e+00 3.99715e+02 157.164 3.10639e+01 157.164 0.9719 
1 1 1 9  7  4  o 16 4.58387e+02 3.43739e+00 5.67543e+02 38.541  3.18891e+01  2.54032e+01  0.00000e+00 0.00000e+00 5.83477e+02 38.541  1.59341e+01 38.541  0.9877 
1 1 1 9  7  5  o 7  4.11217e+02 3.58335e+00 6.02165e+02 355.126 4.60132e+01  -3.92348e+00 0.00000e+00 0.00000e+00 4.31527e+02 355.126 1.70638e+02 175.126 0.9891 
1 1 1 9  7  6  f 0  5.84988e+02 4.04538e+00 6.18033e+02 154.477 -6.03586e+01 2.88199e+01  0.00000e+00 0.00000e+00 8.56804e+02 154.477 2.38771e+02 154.477 0.9925 
1 1 1 9  7  7  o 13 1.96073e+02 3.35753e+00 2.47028e+02 101.702 -1.80442e+00 8.71159e+00  0.00000e+00 0.00000e+00 2.21886e+02 101.702 2.51420e+01 281.702 0.9420 
1 1 1 9  7  8  o 7  2.31628e+02 3.65021e+00 4.09869e+02 318.044 1.28391e+01  -1.15424e+01 0.00000e+00 0.00000e+00 1.60520e+02 318.044 2.49349e+02 138.044 0.9706 
1 1 1 9  7  9  o 6  1.04350e+02 4.60756e+00 3.16957e+02 248.918 -2.13700e+00 -5.54329e+00 0.00000e+00 0.00000e+00 7.58312e+01 68.918  3.92788e+02 68.918  0.9114 
1 1 1 9  7  10 o 19 3.46510e+02 4.62983e+00 4.78123e+02 181.483 -2.89705e+01 -7.49939e-01 0.00000e+00 0.00000e+00 3.84375e+02 181.483 9.37472e+01 1.483   0.9826 
1 1 1 9  7  11 o 9  6.13570e+02 5.08696e+00 8.20353e+02 254.809 -2.27261e+01 -8.36980e+01 0.00000e+00 0.00000e+00 7.23555e+02 254.809 9.67980e+01 74.809  0.9942 
1 1 1 9  7  12 o 4  1.54702e+02 3.35973e+00 2.63127e+02 152.544 -6.14996e+00 3.19543e+00  0.00000e+00 0.00000e+00 9.85854e+01 152.544 1.64541e+02 332.544 0.9247 
1 1 1 9  7  13 o 9  2.70820e+02 4.36356e+00 3.68282e+02 272.367 5.92293e-01  -1.43273e+01 0.00000e+00 0.00000e+00 2.91422e+02 272.367 7.68600e+01 92.367  0.9645 
1 1 1 9  7  14 o 5  2.23486e+02 3.14707e+00 2.74779e+02 123.334 -4.77707e+00 7.26297e+00  0.00000e+00 0.00000e+00 2.55522e+02 123.334 1.92568e+01 303.334 0.9406 
1 1 1 9  7  15 o 18 3.67985e+02 3.59457e+00 3.91712e+02 341.590 2.32625e+01  -7.74300e+00 0.00000e+00 0.00000e+00 5.16344e+02 341.590 1.24632e+02 341.590 0.9794 
1 1 1 9  7  16 o 2  4.70500e+02 3.57961e+00 6.44130e+02 312.060 3.38994e+01  -3.75697e+01 0.00000e+00 0.00000e+00 5.27988e+02 312.060 1.16142e+02 132.060 0.9901 
1 1 1 9  7  17 o 10 3.44796e+02 3.13256e+00 4.01087e+02 121.541 -1.00765e+01 1.64170e+01  0.00000e+00 0.00000e+00 4.42462e+02 121.541 4.13753e+01 121.541 0.9737 
1 1 1 9  7  18 o 18 2.47493e+02 3.03260e+00 3.17832e+02 113.987 -4.35917e+00 9.79661e+00  0.00000e+00 0.00000e+00 2.73384e+02 113.987 4.44485e+01 293.987 0.9522 
1 1 1 9  7  19 o 16 7.59670e+02 5.04629e+00 8.80320e+02 119.165 -5.74267e+01 1.02901e+02  0.00000e+00 0.00000e+00 1.01444e+03 119.165 1.34118e+02 119.165 0.9957 
1 1 1 9  7  20 o 3  1.83946e+02 3.38015e+00 1.14287e+02 111.994 -1.35788e+00 3.36193e+00  0.00000e+00 0.00000e+00 2.75507e+02 111.994 1.61220e+02 111.994 0.8474 
1 1 1 9  7  21 o 1  7.01705e+02 5.09785e+00 9.10762e+02 238.054 -5.45534e+01 -8.74887e+01 0.00000e+00 0.00000e+00 8.32325e+02 238.054 7.84373e+01 58.054  0.9951 
1 1 1 9  7  22 o 8  8.78538e+01 5.85028e+00 1.41456e+02 220.039 -1.49345e+00 -1.25488e+00 0.00000e+00 0.00000e+00 9.47333e+00 220.039 1.31983e+02 40.039  0.6895 
1 1 1 9  7  23 o 1  1.92571e+02 3.59082e+00 1.93167e+02 222.961 -5.19017e+00 -4.83337e+00 0.00000e+00 0.00000e+00 2.50535e+02 222.961 5.73675e+01 222.961 0.9265 
1 1 1 9  7  24 o 8  6.99345e+02 5.33876e+00 7.62570e+02 70.891  3.67535e+01  1.06083e+02  0.00000e+00 0.00000e+00 9.65258e+02 70.891  2.02688e+02 70.891  0.9955 
1 1 1 9  7  25 o 3  5.94287e+02 4.94103e+00 6.22072e+02 11.627  7.50430e+01  1.54409e+01  0.00000e+00 0.00000e+00 8.40028e+02 11.627  2.17955e+02 11.627  0.9935 
1 1 1 9  7  26 o 10 2.13707e+02 3.34155e+00 2.95186e+02 190.635 -1.25410e+01 -2.35499e+00 0.00000e+00 0.00000e+00 2.11756e+02 190.635 8.34295e+01 10.635  0.9600 
1 1 1 9  7  27 o 2  3.72559e+02 3.56520e+00 5.96115e+02 262.501 -6.10238e+00 -4.63592e+01 0.00000e+00 0.00000e+00 3.12511e+02 262.501 2.83604e+02 82.501  0.9892 
1 1 1 9  7  29 o 9  3.53742e+02 3.43778e+00 4.80316e+02 139.119 -3.05328e+01 2.64308e+01  0.00000e+00 0.00000e+00 3.76776e+02 139.119 1.03540e+02 319.119 0.9875 
1 1 1 9  7  30 o 13 1.58742e+02 3.80344e+00 1.70101e+02 326.129 5.92464e+00  -3.97681e+00 0.00000e+00 0.00000e+00 1.90029e+02 326.129 1.99283e+01 326.129 0.9270 
1 1 1 9  7  31 o 6  4.04721e+02 3.47937e+00 4.07689e+02 150.696 -3.93383e+01 2.20795e+01  0.00000e+00 0.00000e+00 5.69158e+02 150.696 1.61469e+02 150.696 0.9889 
1 1 1 9  7  32 o 6  1.35789e+02 1.56163e+01 1.97566e+02 194.227 -6.42265e+00 -1.62843e+00 0.00000e+00 0.00000e+00 1.06895e+02 194.227 9.06709e+01 14.227  0.9211 
1 1 1 9  7  33 o 4  4.92044e+02 3.86346e+00 6.59241e+02 3.746   9.82346e+01  6.43230e+00  0.00000e+00 0.00000e+00 5.29063e+02 3.746   1.30178e+02 183.746 0.9949 
1 1 1 9  7  34 o 18 5.74210e+02 4.42436e+00 6.27410e+02 151.204 -1.09743e+02 6.03208e+01  0.00000e+00 0.00000e+00 7.56842e+02 151.204 1.29431e+02 151.204 0.9960 
1 1 1 9  7  35 o 18 3.96219e+02 4.55782e+00 4.58857e+02 45.576  4.12045e+01  4.20408e+01  0.00000e+00 0.00000e+00 4.89143e+02 45.576  3.02858e+01 45.576  0.9915 
1 1 1 9  7  36 o 2  7.98178e+01 8.41311e+00 3.39799e+01 72.426  3.21148e-01  1.01400e+00  0.00000e+00 0.00000e+00 5.59821e+01 72.426  2.20021e+01 72.426  0.4685 
1 1 1 9  7  37 o 4  1.93775e+02 3.89661e+00 2.06395e+02 273.399 1.07640e+00  -1.81248e+01 0.00000e+00 0.00000e+00 2.45342e+02 273.399 3.89470e+01 273.399 0.9721 
1 1 1 9  7  38 o 13 2.38334e+02 3.34704e+00 1.45710e+02 157.875 -1.42776e+01 5.80472e+00  0.00000e+00 0.00000e+00 4.05225e+02 157.875 2.59514e+02 157.875 0.9670 
1 1 1 9  7  39 o 19 1.30125e+02 5.62522e+00 1.97088e+02 297.494 5.14642e+00  -9.88876e+00 0.00000e+00 0.00000e+00 9.86948e+01 297.494 9.83931e+01 117.494 0.9540 
1 1 1 9  7  40 o 13 1.93454e+02 3.69711e+00 2.48276e+02 175.811 -2.31644e+01 1.69664e+00  0.00000e+00 0.00000e+00 2.01077e+02 175.811 4.71986e+01 355.811 0.9782 
1 1 1 9  7  41 o 17 1.88382e+02 3.60541e+00 2.42402e+02 90.295  -1.28523e-01 2.49914e+01  0.00000e+00 0.00000e+00 1.94334e+02 90.295  4.80684e+01 270.295 0.9798 
1 1 1 9  7  42 o 13 2.18258e+02 3.42553e+00 1.56267e+02 354.373 1.69407e+01  -1.66925e+00 0.00000e+00 0.00000e+00 3.42976e+02 354.373 1.86709e+02 354.373 0.9702 
1 1 1 9  7  43 o 8  1.80462e+02 4.10505e+00 2.05332e+02 220.571 -1.95312e+01 -1.67234e+01 0.00000e+00 0.00000e+00 2.10265e+02 220.571 4.93316e+00 220.571 0.9804 
1 1 1 9  7  44 o 10 2.05574e+02 3.94654e+00 2.44768e+02 48.820  2.28839e+01  2.61585e+01  0.00000e+00 0.00000e+00 2.29365e+02 48.820  1.54027e+01 228.820 0.9855 
1 1 1 9  7  45 o 13 6.80410e+01 8.51158e+00 1.10957e+02 213.711 -4.14459e+00 -2.76524e+00 0.00000e+00 0.00000e+00 3.06926e+01 213.711 8.02643e+01 33.711  0.8930 
1 1 1 9  7  46 o 17 2.04201e+02 3.87395e+00 1.35780e+02 94.322  -1.51430e+00 2.00380e+01  0.00000e+00 0.00000e+00 3.26464e+02 94.322  1.90685e+02 94.322  0.9748 
1 1 1 9  7  47 o 11 1.04123e+02 5.73860e+00 1.12575e+02 89.435  1.02771e-01  1.04152e+01  0.00000e+00 0.00000e+00 1.16382e+02 89.435  3.80698e+00 89.435  0.9507 
1 1 1 9  7  48 o 8  2.01751e+02 4.09811e+00 1.97859e+02 192.032 -3.08722e+01 -6.58020e+00 0.00000e+00 0.00000e+00 2.59442e+02 192.032 6.15830e+01 192.032 0.9840 
1 1 1 9  7  49 f 0  9.85092e+01 5.35301e+00 1.00859e+02 358.057 1.00311e+01  -3.40350e-01 0.00000e+00 0.00000e+00 1.13534e+02 358.057 1.26751e+01 358.057 0.9488 
1 1 1 9  7  50 o 7  3.32809e+01 9.02269e+00 3.71568e+01 23.386  1.01823e+00  4.40332e-01  0.00000e+00 0.00000e+00 3.80679e-01 203.386 3.75375e+01 203.386 0.4838 
1 1 1 9  7  51 o 17 1.16572e+02 4.48198e+00 1.97062e+02 79.177  5.22012e+00  2.73044e+01  0.00000e+00 0.00000e+00 6.32250e+01 79.177  1.33837e+02 259.177 0.9818 
1 1 1 9  7  52 o 7  1.19854e+02 4.61178e+00 1.47457e+02 338.952 1.54270e+01  -5.93674e+00 0.00000e+00 0.00000e+00 1.15558e+02 338.952 3.18997e+01 158.952 0.9693 
1 1 1 9  7  53 o 6  2.69973e+01 8.42233e+00 4.58901e+01 75.475  3.99316e-01  1.54129e+00  0.00000e+00 0.00000e+00 8.28006e+00 255.475 5.41701e+01 255.475 0.6181 
1 1 1 9  7  54 o 15 1.56433e+02 3.79277e+00 1.24123e+02 317.147 2.00549e+01  -1.86054e+01 0.00000e+00 0.00000e+00 2.20348e+02 317.147 9.62248e+01 317.147 0.9815 
1 1 1 9  7  55 o 9  1.06974e+02 4.52151e+00 1.23400e+02 252.870 -5.55207e+00 -1.80136e+01 0.00000e+00 0.00000e+00 1.09038e+02 252.870 1.43628e+01 72.870  0.9731 
1 1 1 9  7  56 o 16 3.70510e+01 9.23767e+00 1.85516e+01 324.634 8.13565e-01  -5.77438e-01 0.00000e+00 0.00000e+00 1.81342e+01 324.634 4.17362e-01 144.634 0.4456 
1 1 1 9  7  57 o 19 5.42544e+01 7.87736e+00 7.75507e+01 37.593  5.60689e+00  4.31678e+00  0.00000e+00 0.00000e+00 3.35958e+01 37.593  4.39549e+01 217.593 0.9264 
1 1 1 9  7  58 o 17 4.24851e+01 8.44040e+00 1.55922e+01 32.930  8.95330e-01  5.79875e-01  0.00000e+00 0.00000e+00 2.83033e+01 32.930  1.27110e+01 32.930  0.4695 
1 1 1 9  7  59 o 19 4.91130e+01 9.78868e+00 3.27415e+01 20.801  2.51544e+00  9.55572e-01  0.00000e+00 0.00000e+00 5.15882e+01 20.801  1.88467e+01 20.801  0.7843 
1 1 1 9  7  60 o 17 4.39242e+01 1.04225e+01 4.47197e+01 249.132 -1.27984e+00 -3.35713e+00 0.00000e+00 0.00000e+00 3.62038e+01 249.132 8.51591e+00 69.132  0.8458 
1 1 1 9  7  61 o 6  8.48422e+01 7.35738e+00 8.93207e+01 224.231 -1.18715e+01 -1.15571e+01 0.00000e+00 0.00000e+00 8.88836e+01 224.231 4.37080e-01 44.231  0.9693 
1 1 1 9  7  62 o 7  7.28493e+01 8.14531e+00 5.70927e+01 93.006  -4.99964e-01 9.52059e+00  0.00000e+00 0.00000e+00 9.14482e+01 93.006  3.43555e+01 93.006  0.9460 
1 1 1 9  7  63 o 13 3.63923e+01 9.82761e+00 5.44429e+01 61.169  2.05794e+00  3.73866e+00  0.00000e+00 0.00000e+00 1.36730e+01 61.169  4.07698e+01 241.169 0.8731 
1 1 1 9  8  0  o 1  2.52906e+02 5.83231e+00 3.74672e+02 180.000 -8.35497e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.70131e+02 180.000 1.04541e+02 0.000   1.0000 
1 1 1 9  8  1  o 3  1.89107e+02 3.67858e+00 1.71865e+02 144.882 -4.68855e+00 3.29742e+00  0.00000e+00 0.00000e+00 2.65894e+02 144.882 9.40283e+01 144.882 0.9080 
1 1 1 9  8  2  o 1  2.41737e+02 3.53339e+00 2.09085e+02 261.851 -1.26129e+00 -8.80811e+00 0.00000e+00 0.00000e+00 3.71401e+02 261.851 1.62316e+02 261.851 0.9420 
1 1 1 9  8  3  o 18 9.01513e+01 5.57033e+00 1.44799e+02 285.599 6.13331e-01  -2.19682e+00 0.00000e+00 0.00000e+00 2.49704e+01 285.599 1.19828e+02 105.599 0.7389 
1 1 1 9  8  4  o 13 4.66212e+02 4.22182e+00 5.59248e+02 51.345  2.84052e+01  3.55133e+01  0.00000e+00 0.00000e+00 6.15442e+02 51.345  5.61945e+01 51.345  0.9889 
1 1 1 9  8  5  o 11 1.14021e+02 4.36497e+00 1.84224e+02 134.429 -2.54870e+00 2.59999e+00  0.00000e+00 0.00000e+00 6.20679e+01 134.429 1.22156e+02 314.429 0.8481 
1 1 1 9  8  6  o 5  9.76228e+01 4.34982e+00 1.70235e+02 250.725 -9.44035e-01 -2.69951e+00 0.00000e+00 0.00000e+00 2.83404e+01 250.725 1.41895e+02 70.725  0.7991 
1 1 1 9  8  7  o 15 1.80991e+02 3.07707e+00 2.12369e+02 90.695  -7.96740e-02 6.57162e+00  0.00000e+00 0.00000e+00 2.11464e+02 90.695  9.04184e-01 270.695 0.9204 
1 1 1 9  8  8  o 17 3.00941e+02 2.96127e+00 2.97051e+02 262.216 -1.76214e+00 -1.28903e+01 0.00000e+00 0.00000e+00 4.38085e+02 262.216 1.41035e+02 262.216 0.9608 
1 1 1 9  8  9  o 3  2.23772e+02 2.98657e+00 3.94046e+02 203.969 -1.15986e+01 -5.15662e+00 0.00000e+00 0.00000e+00 1.51612e+02 203.969 2.42434e+02 23.969  0.9598 
1 1 1 9  8  10 f 0  3.92571e+02 3.37366e+00 5.53903e+02 191.729 -3.02693e+01 -6.28445e+00 0.00000e+00 0.00000e+00 4.26427e+02 191.729 1.27476e+02 11.729  0.9837 
1 1 1 9  8  11 o 15 5.60967e+02 3.95436e+00 6.32958e+02 167.412 -5.94674e+01 1.32798e+01  0.00000e+00 0.00000e+00 7.78103e+02 167.412 1.45145e+02 167.412 0.9918 
1 1 1 9  8  12 f 0  1.05634e+02 4.26230e+00 1.03987e+02 191.805 -1.81881e+00 -3.80128e-01 0.00000e+00 0.00000e+00 7.61559e+01 191.805 2.78313e+01 11.805  0.6730 
1 1 1 9  8  13 o 7  6.21601e+02 4.57429e+00 6.74465e+02 317.453 5.14534e+01  -4.72262e+01 0.00000e+00 0.00000e+00 8.87540e+02 317.453 2.13075e+02 317.453 0.9928 
1 1 1 9  8  14 o 15 4.51703e+02 3.48447e+00 6.94477e+02 336.349 4.01160e+01  -1.75691e+01 0.00000e+00 0.00000e+00 4.34365e+02 336.349 2.60112e+02 156.349 0.9885 
1 1 1 9  8  15 o 7  1.74862e+02 3.63941e+00 3.34027e+02 55.266  4.56259e+00  6.58097e+00  0.00000e+00 0.00000e+00 7.89254e+01 55.266  2.55101e+02 235.266 0.9353 
1 1 1 9  8  16 o 11 1.17345e+02 4.33616e+00 2.45868e+02 191.117 -5.04736e+00 -9.91777e-01 0.00000e+00 0.00000e+00 1.94370e+01 191.117 2.26431e+02 11.117  0.8966 
1 1 1 9  8  17 o 15 4.68026e+02 3.81970e+00 6.29138e+02 159.646 -4.82479e+01 1.78993e+01  0.00000e+00 0.00000e+00 5.37842e+02 159.646 9.12960e+01 339.646 0.9902 
1 1 1 9  8  18 o 7  7.75204e+01 6.25772e+00 1.33936e+02 52.768  1.02849e+00  1.35344e+00  0.00000e+00 0.00000e+00 8.84746e+00 232.768 1.42783e+02 232.768 0.6418 
1 1 1 9  8  19 o 6  4.47396e+02 4.52981e+00 5.67870e+02 182.521 -4.07855e+01 -1.79543e+00 0.00000e+00 0.00000e+00 5.41336e+02 182.521 2.65340e+01 2.521   0.9877 
1 1 1 9  8  20 o 7  3.49039e+02 3.29636e+00 5.31538e+02 232.667 -2.19843e+01 -2.88244e+01 0.00000e+00 0.00000e+00 3.30992e+02 232.667 2.00546e+02 52.667  0.9861 
1 1 1 9  8  21 o 14 6.52142e+01 7.67024e+00 1.93614e+02 172.967 -2.36345e+00 2.91556e-01  0.00000e+00 0.00000e+00 7.10249e+01 352.967 2.64638e+02 352.967 0.7515 
1 1 1 9  8  22 o 14 3.48736e+02 3.41688e+00 3.36372e+02 30.197  2.14991e+01  1.25113e+01  0.00000e+00 0.00000e+00 5.16702e+02 30.197  1.80330e+02 30.197  0.9797 
1 1 1 9  8  23 o 8  1.63409e+02 3.84191e+00 1.26074e+02 357.199 4.29547e+00  -2.10182e-01 0.00000e+00 0.00000e+00 2.29907e+02 357.199 1.03833e+02 357.199 0.8742 
1 1 1 9  8  24 o 2  1.55808e+02 3.86480e+00 1.73341e+02 12.432  5.36714e+00  1.18318e+00  0.00000e+00 0.00000e+00 1.76856e+02 12.432  3.51491e+00 12.432  0.9037 
1 1 1 9  8  25 o 17 4.94873e+02 3.86073e+00 5.87396e+02 297.447 2.84465e+01  -5.47683e+01 0.00000e+00 0.00000e+00 6.30768e+02 297.447 4.33718e+01 297.447 0.9919 
1 1 1 9  8  26 o 3  2.64290e+02 4.50845e+00 2.71812e+02 145.285 -1.35752e+01 9.40532e+00  0.00000e+00 0.00000e+00 3.62517e+02 145.285 9.07055e+01 145.285 0.9692 
1 1 1 9  8  27 o 15 5.68782e+02 4.13088e+00 6.99451e+02 87.715  3.81372e+00  9.55614e+01  0.00000e+00 0.00000e+00 6.98445e+02 87.715  1.00595e+00 267.715 0.9948 
1 1 1 9  8  28 o 18 1.83445e+02 3.58274e+00 1.63209e+02 123.934 -3.91481e+00 5.81843e+00  0.00000e+00 0.00000e+00 2.55340e+02 123.934 9.21302e+01 123.934 0.9257 
1 1 1 9  8  29 o 3  5.44915e+02 4.17651e+00 3.97637e+02 163.190 -5.40810e+01 1.63380e+01  0.00000e+00 0.00000e+00 9.30258e+02 163.190 5.32621e+02 163.190 0.9911 
1 1 1 9  8  31 o 16 1.46183e+02 4.33373e+00 1.33180e+02 349.837 5.91886e+00  -1.06097e+00 0.00000e+00 0.00000e+00 1.93126e+02 349.837 5.99467e+01 349.837 0.9126 
1 1 1 9  8  32 o 16 1.45692e+02 4.30711e+00 1.08499e+02 33.061  4.70067e+00  3.05981e+00  0.00000e+00 0.00000e+00 2.13430e+02 33.061  1.04930e+02 33.061  0.9058 
1 1 1 9  8  33 o 15 3.65261e+02 3.42306e+00 3.68276e+02 89.336  5.17621e-01  4.46750e+01  0.00000e+00 0.00000e+00 5.10248e+02 89.336  1.41972e+02 89.336  0.9887 
1 1 1 9  8  35 o 9  2.08457e+02 3.57294e+00 2.82846e+02 317.176 1.73564e+01  -1.60856e+01 0.00000e+00 0.00000e+00 2.10506e+02 317.176 7.23404e+01 137.176 0.9786 
1 1 1 9  8  36 o 12 8.72976e+01 6.37601e+00 3.73272e+01 13.039  1.41717e+00  3.28202e-01  0.00000e+00 0.00000e+00 8.57409e+01 13.039  4.84136e+01 13.039  0.5847 
1 1 1 9  8  37 o 6  1.33143e+02 4.52417e+00 1.41442e+02 161.924 -7.88546e+00 2.57376e+00  0.00000e+00 0.00000e+00 1.58591e+02 161.924 1.71489e+01 161.924 0.9376 
1 1 1 9  8  38 o 14 2.53427e+02 3.39104e+00 2.04051e+02 261.300 -3.42979e+00 -2.24137e+01 0.00000e+00 0.00000e+00 3.89520e+02 261.300 1.85468e+02 261.300 0.9777 
1 1 1 9  8  39 f 0  2.23857e+02 4.88641e+00 2.33748e+02 233.502 -1.49536e+01 -2.02100e+01 0.00000e+00 0.00000e+00 2.90009e+02 233.502 5.62611e+01 233.502 0.9799 
1 1 1 9  8  40 o 1  1.61873e+02 5.33611e+00 2.27950e+02 313.411 1.37434e+01  -1.45279e+01 0.00000e+00 0.00000e+00 1.47476e+02 313.411 8.04745e+01 133.411 0.9747 
1 1 1 9  8  41 o 2  1.55645e+02 4.52841e+00 2.21961e+02 296.014 1.02462e+01  -2.09949e+01 0.00000e+00 0.00000e+00 1.39123e+02 296.014 8.28379e+01 116.014 0.9784 
1 1 1 9  8  42 o 7  1.31118e+02 5.05635e+00 9.94840e+01 322.726 7.16434e+00  -5.45264e+00 0.00000e+00 0.00000e+00 1.92570e+02 322.726 9.30862e+01 322.726 0.9427 
1 1 1 9  8  43 o 15 1.98069e+02 4.30862e+00 1.68156e+02 291.718 8.51396e+00  -2.13753e+01 0.00000e+00 0.00000e+00 2.87875e+02 291.718 1.19719e+02 291.718 0.9780 
1 1 1 9  8  44 o 8  5.71746e+01 9.86237e+00 2.89223e+01 97.057  -1.31912e-01 1.06560e+00  0.00000e+00 0.00000e+00 3.43569e+01 97.057  5.43461e+00 97.057  0.4719 
1 1 1 9  8  45 o 19 3.47031e+01 9.15091e+00 7.84006e+01 99.327  -3.03112e-01 1.84554e+00  0.00000e+00 0.00000e+00 2.36509e+01 279.327 1.02052e+02 279.327 0.6753 
1 1 1 9  8  46 o 5  2.04621e+02 3.93557e+00 1.63241e+02 164.552 -2.92634e+01 8.08689e+00  0.00000e+00 0.00000e+00 3.05036e+02 164.552 1.41795e+02 164.552 0.9834 
1 1 1 9  8  47 o 17 4.95270e+01 1.04121e+01 3.78999e+01 173.626 -1.69749e+00 1.89613e-01  0.00000e+00 0.00000e+00 3.59734e+01 173.626 1.92642e+00 353.626 0.6435 
1 1 1 9  8  48 o 3  1.59731e+02 4.49154e+00 1.49125e+02 304.028 1.36752e+01  -2.02528e+01 0.00000e+00 0.00000e+00 2.11968e+02 304.028 6.28434e+01 304.028 0.9793 
1 1 1 9  8  49 o 9  1.53127e+02 5.17527e+00 1.66705e+02 275.424 2.30687e+00  -2.42958e+01 0.00000e+00 0.00000e+00 1.78004e+02 275.424 1.12987e+01 275.424 0.9793 
1 1 1 9  8  50 o 16 4.48707e+01 9.88263e+00 5.15223e+01 21.090  2.37105e+00  9.14449e-01  0.00000e+00 0.00000e+00 2.75011e+01 21.090  2.40212e+01 201.090 0.7694 
1 1 1 9  8  51 o 7  5.60550e+01 1.02378e+01 9.34118e+01 47.716  3.04573e+00  3.34905e+00  0.00000e+00 0.00000e+00 1.91494e+01 47.716  7.42624e+01 227.716 0.8811 
1 1 1 9  8  52 o 19 7.60239e+01 6.69572e+00 1.06611e+02 73.893  3.02429e+00  1.04734e+01  0.00000e+00 0.00000e+00 5.77656e+01 73.893  4.88454e+01 253.893 0.9530 
1 1 1 9  8  53 o 2  4.36093e+01 9.45565e+00 2.70857e+01 56.030  7.83579e-01  1.16302e+00  0.00000e+00 0.00000e+00 2.91613e+01 56.030  2.07562e+00 56.030  0.5711 
1 1 1 9  8  54 o 5  3.45383e+01 9.44298e+00 9.72526e+00 304.389 2.45854e-01  -3.59212e-01 0.00000e+00 0.00000e+00 6.78676e+00 304.389 2.93850e+00 124.389 0.2126 
1 1 1 9  8  55 o 18 3.52272e+01 9.62382e+00 5.66396e+01 91.020  -5.13231e-02 2.88204e+00  0.00000e+00 0.00000e+00 6.49362e+00 91.020  5.01460e+01 271.020 0.8009 
1 1 1 9  8  56 o 16 5.08971e+01 9.96663e+00 5.79564e+01 302.089 2.16153e+00  -3.44728e+00 0.00000e+00 0.00000e+00 4.02158e+01 302.089 1.77406e+01 122.089 0.8661 
1 1 1 9  8  57 o 19 4.73325e+01 9.90099e+00 4.14705e+01 2.711   3.03652e+00  1.43769e-01  0.00000e+00 0.00000e+00 4.37991e+01 2.711   2.32861e+00 2.711   0.8129 
1 1 1 9  8  58 o 16 3.64882e+01 9.56171e+00 5.49177e+01 104.391 -8.46561e-01 3.29922e+00  0.00000e+00 0.00000e+00 1.23534e+01 104.391 4.25643e+01 284.391 0.8360 
1 1 1 9  8  59 o 16 6.65817e+01 7.18449e+00 8.50976e+01 114.500 -4.61480e+00 1.01261e+01  0.00000e+00 0.00000e+00 5.42619e+01 114.500 3.08357e+01 294.500 0.9540 
1 1 1 9  8  60 o 6  4.11422e+01 8.46114e+00 2.88570e+01 208.115 -2.20837e+00 -1.17988e+00 0.00000e+00 0.00000e+00 3.98824e+01 208.115 1.10254e+01 208.115 0.7654 
1 1 1 9  8  61 o 19 3.02604e+01 8.64667e+00 1.08271e+01 71.712  2.32759e-01  7.04310e-01  0.00000e+00 0.00000e+00 1.20082e+01 71.712  1.18118e+00 71.712  0.3475 
1 1 1 9  8  62 o 9  3.55715e+01 8.38262e+00 1.27851e+01 223.680 -7.60822e-01 -7.26550e-01 0.00000e+00 0.00000e+00 2.29057e+01 223.680 1.01205e+01 223.680 0.4645 
1 1 1 9  9  0  o 5  3.59962e+02 6.31803e+00 5.22269e+02 0.000   6.68186e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.97701e+02 0.000   1.24568e+02 180.000 1.0000 
1 1 1 9  9  1  o 6  3.64824e+02 4.70854e+00 3.67835e+02 90.000  5.83630e-16  9.53140e+00  0.00000e+00 0.00000e+00 5.64525e+02 90.000  1.96691e+02 90.000  1.0000 
1 1 1 9  9  2  f 0  3.56107e+01 1.66696e+01 2.52284e+01 0.000   6.22505e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.95712e+01 180.000 4.47996e+01 180.000 0.0622 
1 1 1 9  9  3  o 17 2.59763e+02 5.18950e+00 3.86084e+02 270.000 -5.30964e-16 -8.67130e+00 0.00000e+00 0.00000e+00 2.77548e+02 270.000 1.08536e+02 90.000  1.0000 
1 1 1 9  9  4  o 7  4.77174e+02 5.52366e+00 5.49765e+02 0.000   2.25769e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.68930e+02 0.000   1.19165e+02 0.000   1.0000 
1 1 1 9  9  5  o 5  2.24005e+02 5.02757e+00 3.10662e+02 270.000 -3.64951e-16 -5.96011e+00 0.00000e+00 0.00000e+00 2.61214e+02 270.000 4.94489e+01 90.000  1.0000 
1 1 1 9  9  6  o 6  2.87295e+02 4.66455e+00 4.64349e+02 0.000   1.13552e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.68766e+02 0.000   1.95583e+02 180.000 1.0000 
1 1 1 9  9  7  o 2  1.69776e+02 5.06427e+00 2.97336e+02 90.000  2.60980e-16  4.26213e+00  0.00000e+00 0.00000e+00 1.35480e+02 90.000  1.61856e+02 270.000 0.9996 
1 1 1 9  9  8  o 6  6.12726e+02 6.41368e+00 7.50385e+02 180.000 -3.84181e+01 0.00000e+00  0.00000e+00 0.00000e+00 8.11272e+02 180.000 6.08864e+01 180.000 1.0000 
1 1 1 9  9  9  o 18 4.80330e+02 7.19072e+00 5.72428e+02 90.000  1.18301e-15  1.93201e+01  0.00000e+00 0.00000e+00 6.50892e+02 90.000  7.84644e+01 90.000  1.0000 
1 1 1 9  9  10 o 8  4.70930e+02 6.28914e+00 6.43805e+02 180.000 -2.10770e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.54594e+02 180.000 8.92116e+01 0.000   1.0000 
1 1 1 9  9  11 o 18 4.81686e+01 1.71033e+01 3.49516e+01 90.000  6.92233e-18  1.13050e-01  0.00000e+00 0.00000e+00 2.11654e+01 270.000 5.61170e+01 270.000 0.1126 
1 1 1 9  9  12 o 3  1.02170e+02 9.18406e+00 6.02832e+01 180.000 -5.50064e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.96166e+01 180.000 9.33346e+00 180.000 0.5006 
1 1 1 9  9  13 o 9  3.30505e+02 4.99745e+00 2.47307e+02 90.000  4.42922e-16  7.23347e+00  0.00000e+00 0.00000e+00 5.91244e+02 90.000  3.43937e+02 90.000  1.0000 
1 1 1 9  9  14 o 13 9.03734e+02 9.41204e+00 1.10825e+03 0.000   8.65490e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.18202e+03 0.000   7.37738e+01 0.000   1.0000 
1 1 1 9  9  15 o 8  2.84226e+02 5.09947e+00 3.64136e+02 270.000 -5.21162e-16 -8.51123e+00 0.00000e+00 0.00000e+00 3.55257e+02 270.000 8.87922e+00 90.000  1.0000 
1 1 1 9  9  16 o 5  2.76773e+02 4.84631e+00 2.86098e+02 0.000   6.39224e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.13492e+02 0.000   1.27395e+02 0.000   1.0000 
1 1 1 9  9  17 o 8  3.82985e+02 5.18195e+00 4.95558e+02 270.000 -1.14216e-15 -1.86529e+01 0.00000e+00 0.00000e+00 4.71130e+02 270.000 2.44284e+01 90.000  1.0000 
1 1 1 9  9  18 o 6  1.05792e+02 6.98668e+00 2.80277e+02 180.000 -2.84741e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.54404e+01 0.000   2.95718e+02 0.000   0.9933 
1 1 1 9  9  19 o 18 4.05492e+02 5.04412e+00 4.78818e+02 90.000  1.27638e-15  2.08449e+01  0.00000e+00 0.00000e+00 5.41504e+02 90.000  6.26855e+01 90.000  1.0000 
1 1 1 9  9  20 o 16 9.07120e+01 7.86879e+00 1.80171e+02 180.000 -1.71201e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.33203e+01 180.000 1.46850e+02 0.000   0.9369 
1 1 1 9  9  21 o 18 2.82966e+02 4.37537e+00 1.33004e+02 270.000 -2.39440e-16 -3.91035e+00 0.00000e+00 0.00000e+00 5.75989e+02 270.000 4.42985e+02 270.000 0.9992 
1 1 1 9  9  22 o 11 4.69218e+02 5.11165e+00 4.83484e+02 180.000 -2.46257e+01 0.00000e+00  0.00000e+00 0.00000e+00 6.90941e+02 180.000 2.07457e+02 180.000 1.0000 
1 1 1 9  9  23 o 10 2.00193e+02 5.12411e+00 1.82342e+02 90.000  2.37190e-16  3.87361e+00  0.00000e+00 0.00000e+00 3.17327e+02 90.000  1.34986e+02 90.000  0.9991 
1 1 1 9  9  25 o 18 2.61754e+02 4.36193e+00 1.24888e+02 90.000  2.41905e-16  3.95061e+00  0.00000e+00 0.00000e+00 5.25813e+02 90.000  4.00925e+02 90.000  0.9993 
1 1 1 9  9  26 o 1  2.15696e+02 6.15466e+00 3.71723e+02 0.000   9.42245e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.63699e+02 0.000   2.08025e+02 180.000 1.0000 
1 1 1 9  9  27 o 16 8.85505e+01 1.01287e+01 5.64754e+01 90.000  3.97689e-17  6.49475e-01  0.00000e+00 0.00000e+00 6.88182e+01 90.000  1.23428e+01 90.000  0.5713 
1 1 1 9  9  29 o 2  3.31424e+02 4.87066e+00 2.90141e+02 90.000  9.21481e-16  1.50489e+01  0.00000e+00 0.00000e+00 5.26716e+02 90.000  2.36574e+02 90.000  1.0000 
1 1 1 9  9  30 o 17 5.11377e+01 1.74766e+01 3.30034e+01 180.000 -2.86132e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.01803e+00 180.000 3.09854e+01 0.000   0.2786 
1 1 1 9  9  31 o 16 5.29637e+01 1.72209e+01 9.35566e+01 90.000  4.83670e-17  7.89893e-01  0.00000e+00 0.00000e+00 8.06015e+00 270.000 1.01617e+02 270.000 0.6583 
1 1 1 9  9  33 o 8  3.71650e+02 5.01630e+00 3.50505e+02 90.000  1.62751e-15  2.65793e+01  0.00000e+00 0.00000e+00 5.55750e+02 90.000  2.05245e+02 90.000  1.0000 
1 1 1 9  9  34 o 15 1.35586e+02 6.79092e+00 1.58657e+02 180.000 -4.93092e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.70976e+02 180.000 1.23184e+01 180.000 0.9999 
1 1 1 9  9  35 o 10 2.99167e+02 4.80741e+00 1.85723e+02 90.000  7.67395e-16  1.25325e+01  0.00000e+00 0.00000e+00 5.39518e+02 90.000  3.53794e+02 90.000  1.0000 
1 1 1 9  9  36 o 10 1.19185e+02 7.38690e+00 2.27427e+02 180.000 -6.01446e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.06152e+01 180.000 1.66812e+02 0.000   1.0000 
1 1 1 9  9  37 o 16 3.61799e+01 1.80547e+01 5.93590e+01 270.000 -2.98063e-17 -4.86774e-01 0.00000e+00 0.00000e+00 1.99910e+01 90.000  7.93501e+01 90.000  0.4517 
1 1 1 9  9  38 o 3  5.85765e+01 1.56737e+01 1.67735e+02 180.000 -2.56018e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.87393e+01 0.000   1.96474e+02 0.000   0.9881 
1 1 1 9  9  39 o 9  4.95178e+02 5.51181e+00 6.17736e+02 270.000 -4.78035e-15 -7.80690e+01 0.00000e+00 0.00000e+00 5.67445e+02 270.000 5.02908e+01 90.000  1.0000 
1 1 1 9  9  40 o 2  1.33200e+02 6.51151e+00 1.38449e+02 0.000   6.21405e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.79272e+02 0.000   4.08230e+01 0.000   1.0000 
1 1 1 9  9  41 o 3  4.10322e+02 5.12372e+00 3.44088e+02 270.000 -3.00752e-15 -4.91166e+01 0.00000e+00 0.00000e+00 6.31239e+02 270.000 2.87150e+02 270.000 1.0000 
1 1 1 9  9  42 o 6  2.61548e+02 4.86351e+00 3.17871e+02 0.000   2.96115e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.01602e+02 0.000   1.62694e+01 180.000 1.0000 
1 1 1 9  9  43 o 17 1.28758e+02 6.46432e+00 5.28398e+01 270.000 -1.58790e-16 -2.59324e+00 0.00000e+00 0.00000e+00 2.47626e+02 270.000 1.94786e+02 270.000 0.9889 
1 1 1 9  9  44 o 19 5.68752e+01 1.47250e+01 7.76256e+01 0.000   1.48744e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.30970e+01 0.000   3.45286e+01 180.000 0.9029 
1 1 1 9  9  45 o 2  1.18540e+02 6.81185e+00 3.36198e+01 90.000  1.10116e-16  1.79832e+00  0.00000e+00 0.00000e+00 2.29181e+02 90.000  1.95561e+02 90.000  0.9466 
1 1 1 9  9  46 o 7  2.04838e+01 1.35908e+01 4.46319e+01 0.000   4.23560e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.55216e+01 180.000 7.01534e+01 180.000 0.3999 
1 1 1 9  9  47 o 14 2.39216e+01 1.49209e+01 6.73269e+01 90.000  4.57203e-17  7.46669e-01  0.00000e+00 0.00000e+00 3.21356e+01 270.000 9.94625e+01 270.000 0.6332 
1 1 1 9  9  48 o 3  3.17209e+01 1.82083e+01 2.66974e+01 180.000 -4.10446e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.84453e+00 180.000 2.48529e+01 0.000   0.3889 
1 1 1 9  9  49 o 3  3.05377e+01 1.78839e+01 2.69615e+00 270.000 -2.57428e-18 -4.20412e-02 0.00000e+00 0.00000e+00 2.60455e-01 270.000 2.43569e+00 90.000  0.0420 
1 1 1 9  9  50 o 3  1.46030e+02 9.02504e+00 1.80906e+02 180.000 -1.78146e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.54155e+02 180.000 2.67507e+01 0.000   1.0000 
1 1 1 9  9  51 o 5  1.73680e+01 1.25790e+01 8.59650e-02 90.000  5.86332e-20  9.57553e-04  0.00000e+00 0.00000e+00 4.79721e-02 270.000 1.33937e-01 270.000 0.0010 
1 1 1 9  9  52 o 8  3.37494e+01 1.77993e+01 4.27660e+01 180.000 -8.35070e-01 0.00000e+00  0.00000e+00 0.00000e+00 9.67458e+00 180.000 3.30914e+01 0.000   0.6832 
1 1 1 9  9  53 o 6  9.98844e+01 1.10818e+01 1.41633e+02 90.000  5.87735e-16  9.59843e+00  0.00000e+00 0.00000e+00 8.45141e+01 90.000  5.71191e+01 270.000 1.0000 
1 1 1 9  9  54 o 9  6.44590e+01 1.23502e+01 7.40836e+01 180.000 -3.55997e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.09506e+01 180.000 3.13297e+00 0.000   0.9984 
1 1 1 9  9  55 o 3  5.41667e+01 1.46081e+01 7.80209e+00 270.000 -1.77306e-17 -2.89562e-01 0.00000e+00 0.00000e+00 2.64286e+01 270.000 1.86265e+01 270.000 0.2817 
1 1 1 9  9  56 o 16 7.77404e+01 1.00563e+01 8.08146e+01 0.000   5.32852e+00  0.00000e+00  0.00000e+00 0.00000e+00 9.27231e+01 0.000   1.19085e+01 0.000   1.0000 
1 1 1 9  9  57 o 6  1.78323e+01 1.23959e+01 3.20187e+01 90.000  3.07225e-17  5.01737e-01  0.00000e+00 0.00000e+00 1.36580e+01 270.000 4.56767e+01 270.000 0.4635 
1 1 1 9  9  58 o 12 9.73057e+01 7.76985e+00 1.25627e+02 180.000 -1.26778e+01 0.00000e+00  0.00000e+00 0.00000e+00 8.94704e+01 180.000 3.61561e+01 0.000   1.0000 
1 1 1 9  9  59 o 1  3.29491e+01 1.70671e+01 1.96652e+01 270.000 -3.58908e-17 -5.86141e-01 0.00000e+00 0.00000e+00 1.85339e+01 270.000 1.13130e+00 90.000  0.5271 
1 1 1 9  9  60 o 8  3.68925e+01 1.74803e+01 7.95572e+01 180.000 -2.79876e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.72481e-01 180.000 7.89847e+01 0.000   0.9926 
1 1 1 9  9  61 o 3  1.15440e+02 6.73991e+00 1.20623e+02 270.000 -1.12867e-15 -1.84326e+01 0.00000e+00 0.00000e+00 1.30661e+02 270.000 1.00387e+01 270.000 1.0000 
1 1 1 10 0  0  o 6  4.36528e+02 6.60753e+00 3.53739e+02 0.000   6.33872e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.52120e+02 0.000   3.98380e+02 0.000   1.0000 
1 1 1 10 0  1  o 6  5.12262e+02 5.17053e+00 4.97996e+02 45.000  1.47903e+01  1.47903e+01  0.00000e+00 0.00000e+00 7.99671e+02 45.000  3.01675e+02 45.000  1.0000 
1 1 1 10 0  2  o 19 1.91278e+02 4.25534e+00 1.52084e+02 270.000 -1.45839e-16 -2.38173e+00 0.00000e+00 0.00000e+00 3.24200e+02 270.000 1.72116e+02 270.000 0.9831 
1 1 1 10 0  3  o 12 2.16845e+02 4.13077e+00 1.13561e+02 315.000 1.42028e+00  -1.42028e+00 0.00000e+00 0.00000e+00 4.16141e+02 315.000 3.02580e+02 315.000 0.9646 
1 1 1 10 0  4  o 11 4.11953e+02 4.55172e+00 5.84406e+02 180.000 -2.46867e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.58483e+02 180.000 1.25923e+02 0.000   1.0000 
1 1 1 10 0  5  o 6  2.16608e+02 4.10057e+00 2.48487e+02 225.000 -3.87589e+00 -3.87589e+00 0.00000e+00 0.00000e+00 2.99641e+02 225.000 5.11533e+01 225.000 1.0000 
1 1 1 10 0  6  o 15 5.90784e+01 1.07318e+01 5.81393e+01 90.000  2.09664e-17  3.42407e-01  0.00000e+00 0.00000e+00 8.88269e+00 270.000 6.70220e+01 270.000 0.3296 
1 1 1 10 0  7  o 4  1.37683e+01 9.85707e+00 1.42212e+02 315.000 1.36946e-01  -1.36946e-01 0.00000e+00 0.00000e+00 1.35554e+02 135.000 2.77766e+02 135.000 0.1913 
1 1 1 10 0  8  o 19 1.42748e+02 4.93600e+00 2.95814e+02 180.000 -4.16725e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.46429e+01 180.000 2.31172e+02 0.000   0.9995 
1 1 1 10 0  9  o 4  1.67376e+02 4.60396e+00 2.86956e+02 225.000 -2.92633e+00 -2.92633e+00 0.00000e+00 0.00000e+00 1.35368e+02 225.000 1.51588e+02 45.000  0.9995 
1 1 1 10 0  10 o 8  4.58660e+02 4.85978e+00 6.30476e+02 90.000  1.50604e-15  2.45955e+01  0.00000e+00 0.00000e+00 5.26455e+02 90.000  1.04021e+02 270.000 1.0000 
1 1 1 10 0  11 o 10 3.06399e+01 1.55041e+01 4.60836e+01 135.000 -8.19072e-02 8.19072e-02  0.00000e+00 0.00000e+00 3.71790e+01 315.000 8.32626e+01 315.000 0.1153 
1 1 1 10 0  12 o 2  2.53143e+02 4.13690e+00 4.05233e+02 0.000   8.49331e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.32090e+02 0.000   1.73143e+02 180.000 1.0000 
1 1 1 10 0  13 o 4  3.26917e+02 4.28268e+00 5.89702e+02 45.000  1.08503e+01  1.08503e+01  0.00000e+00 0.00000e+00 2.32467e+02 45.000  3.57235e+02 225.000 1.0000 
1 1 1 10 0  14 o 2  3.49661e+01 1.59728e+01 3.02975e+01 270.000 -4.96043e-18 -8.10100e-02 0.00000e+00 0.00000e+00 2.31975e+01 90.000  5.34950e+01 90.000  0.0808 
1 1 1 10 0  15 o 17 3.79439e+02 4.46537e+00 3.02148e+02 315.000 7.45766e+00  -7.45766e+00 0.00000e+00 0.00000e+00 6.49808e+02 315.000 3.47660e+02 315.000 1.0000 
1 1 1 10 0  16 o 9  7.67343e+02 7.55130e+00 7.76885e+02 180.000 -5.35300e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.14569e+03 180.000 3.68807e+02 180.000 1.0000 
1 1 1 10 0  17 o 14 1.84518e+02 4.52635e+00 3.35581e+02 225.000 -3.81316e+00 -3.81316e+00 0.00000e+00 0.00000e+00 1.26053e+02 225.000 2.09528e+02 45.000  1.0000 
1 1 1 10 0  18 o 9  3.19907e+02 4.29862e+00 4.41562e+02 90.000  7.35852e-16  1.20174e+01  0.00000e+00 0.00000e+00 3.57617e+02 90.000  8.39450e+01 270.000 1.0000 
1 1 1 10 0  19 o 18 6.83925e+02 7.42876e+00 8.00833e+02 135.000 -2.75492e+01 2.75492e+01  0.00000e+00 0.00000e+00 9.04996e+02 135.000 1.04163e+02 135.000 1.0000 
1 1 1 10 0  20 o 5  4.22021e+02 5.49668e+00 2.93524e+02 0.000   8.61514e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.57301e+02 0.000   4.63777e+02 0.000   1.0000 
1 1 1 10 0  21 o 6  5.66511e+01 1.52792e+01 2.88658e+01 45.000  9.40206e-02  9.40206e-02  0.00000e+00 0.00000e+00 1.02524e+01 225.000 3.91181e+01 225.000 0.1322 
1 1 1 10 0  22 o 14 4.32115e+02 5.61113e+00 5.05378e+02 270.000 -1.08238e-15 -1.76766e+01 0.00000e+00 0.00000e+00 5.66690e+02 270.000 6.13120e+01 270.000 1.0000 
1 1 1 10 0  23 o 16 7.56319e+02 8.13569e+00 8.85880e+02 315.000 3.16153e+01  -3.16153e+01 0.00000e+00 0.00000e+00 9.86891e+02 315.000 1.01012e+02 315.000 1.0000 
1 1 1 10 0  24 o 14 4.00327e+02 5.32790e+00 2.62225e+02 180.000 -9.05520e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.27043e+02 180.000 4.64818e+02 180.000 1.0000 
1 1 1 10 0  25 o 8  1.47408e+02 5.40112e+00 1.29457e+02 225.000 -1.08629e+00 -1.08629e+00 0.00000e+00 0.00000e+00 2.01867e+02 225.000 7.24102e+01 225.000 0.9115 
1 1 1 10 0  26 o 14 5.61101e+01 1.30082e+01 3.21255e+01 270.000 -8.50105e-18 -1.38833e-01 0.00000e+00 0.00000e+00 1.30805e+01 90.000  4.52060e+01 90.000  0.1379 
1 1 1 10 0  27 o 12 5.33287e+02 5.40364e+00 6.27979e+02 135.000 -2.22511e+01 2.22511e+01  0.00000e+00 0.00000e+00 6.81185e+02 135.000 5.32057e+01 135.000 1.0000 
1 1 1 10 0  28 o 4  4.96290e+01 1.43592e+01 1.14031e+02 0.000   5.74317e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.10074e+01 180.000 1.65039e+02 180.000 0.5185 
1 1 1 10 0  29 o 19 2.28240e+02 4.58665e+00 2.21644e+02 45.000  3.63634e+00  3.63634e+00  0.00000e+00 0.00000e+00 3.35922e+02 45.000  1.14278e+02 45.000  0.9999 
1 1 1 10 0  30 o 14 8.10563e+01 8.22548e+00 8.10407e+01 270.000 -4.21473e-17 -6.88318e-01 0.00000e+00 0.00000e+00 3.68604e+01 270.000 4.41802e+01 90.000  0.5969 
1 1 1 10 0  31 f 0  2.52783e+02 4.56915e+00 4.30236e+02 315.000 8.74623e+00  -8.74623e+00 0.00000e+00 0.00000e+00 1.84139e+02 315.000 2.46097e+02 135.000 1.0000 
1 1 1 10 0  32 o 11 2.60410e+02 5.17776e+00 2.46911e+02 180.000 -7.59705e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.84285e+02 180.000 1.37374e+02 180.000 1.0000 
1 1 1 10 0  33 o 12 4.47705e+02 5.77778e+00 4.25372e+02 45.000  1.53936e+01  1.53936e+01  0.00000e+00 0.00000e+00 6.56760e+02 45.000  2.31388e+02 45.000  1.0000 
1 1 1 10 0  34 o 10 2.10552e+02 5.82985e+00 1.30400e+02 270.000 -2.13243e-16 -3.48253e+00 0.00000e+00 0.00000e+00 3.76091e+02 270.000 2.45691e+02 270.000 0.9981 
1 1 1 10 0  35 o 16 5.55458e+01 2.68193e+01 4.00310e+01 315.000 2.14673e-01  -2.14673e-01 0.00000e+00 0.00000e+00 7.10333e-01 135.000 4.07413e+01 135.000 0.2946 
1 1 1 10 0  36 o 9  3.56703e+01 1.67594e+01 5.53661e+01 0.000   3.30428e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.81153e+01 180.000 8.34815e+01 180.000 0.3189 
1 1 1 10 0  37 o 4  2.46762e+02 4.55704e+00 2.53053e+02 225.000 -7.24919e+00 -7.24919e+00 0.00000e+00 0.00000e+00 3.36227e+02 225.000 8.31736e+01 225.000 1.0000 
1 1 1 10 0  39 o 14 2.66658e+02 4.53498e+00 3.68132e+02 315.000 1.36871e+01  -1.36871e+01 0.00000e+00 0.00000e+00 2.64499e+02 315.000 1.03633e+02 135.000 1.0000 
1 1 1 10 0  40 o 1  3.37042e+02 4.68086e+00 2.62145e+02 0.000   1.96129e+01  0.00000e+00  0.00000e+00 0.00000e+00 5.34747e+02 0.000   2.72602e+02 0.000   1.0000 
1 1 1 10 0  41 o 10 1.55674e+02 5.26251e+00 1.31385e+02 225.000 -3.11851e+00 -3.11851e+00 0.00000e+00 0.00000e+00 2.35293e+02 225.000 1.03908e+02 225.000 0.9997 
1 1 1 10 0  42 o 11 7.17228e+01 9.25187e+00 5.42486e+01 90.000  5.66234e-17  9.24731e-01  0.00000e+00 0.00000e+00 6.83563e+01 90.000  1.41077e+01 90.000  0.7281 
1 1 1 10 0  43 o 5  1.98517e+02 4.51349e+00 2.94357e+02 135.000 -1.12989e+01 1.12989e+01  0.00000e+00 0.00000e+00 1.69995e+02 135.000 1.24363e+02 315.000 1.0000 
1 1 1 10 0  44 f 0  1.17064e+02 5.87129e+00 6.66885e+01 0.000   1.93485e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.94961e+02 0.000   1.28272e+02 0.000   0.9591 
1 1 1 10 0  45 o 6  1.44536e+02 4.97517e+00 1.55211e+02 225.000 -5.21835e+00 -5.21835e+00 0.00000e+00 0.00000e+00 1.80316e+02 225.000 2.51053e+01 225.000 1.0000 
1 1 1 10 0  46 f 0  2.08822e+01 1.30635e+01 7.51966e+01 270.000 -3.12470e-17 -5.10302e-01 0.00000e+00 0.00000e+00 5.24934e+01 90.000  1.27690e+02 90.000  0.4702 
1 1 1 10 0  47 o 9  1.55773e+02 4.48688e+00 2.16121e+02 135.000 -8.18205e+00 8.18205e+00  0.00000e+00 0.00000e+00 1.42633e+02 135.000 7.34876e+01 315.000 1.0000 
1 1 1 10 0  48 o 10 2.00658e+02 4.16521e+00 1.54379e+02 180.000 -1.11775e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.05859e+02 180.000 1.51480e+02 180.000 1.0000 
1 1 1 10 0  49 o 9  1.21905e+02 4.51688e+00 1.21666e+02 45.000  4.71938e+00  4.71938e+00  0.00000e+00 0.00000e+00 1.56773e+02 45.000  3.51078e+01 45.000  1.0000 
1 1 1 10 0  50 o 16 2.15750e+01 1.20701e+01 8.79864e+00 90.000  4.32595e-18  7.06481e-02  0.00000e+00 0.00000e+00 5.33777e+00 270.000 1.41364e+01 270.000 0.0705 
1 1 1 10 0  51 o 14 7.59464e+01 1.33385e+01 1.35647e+02 315.000 3.40174e+00  -3.40174e+00 0.00000e+00 0.00000e+00 3.63068e+01 315.000 9.93403e+01 135.000 0.9999 
1 1 1 10 0  52 o 9  2.67381e+01 1.65601e+01 2.68726e+01 0.000   3.01573e-01  0.00000e+00  0.00000e+00 0.00000e+00 9.22587e+00 180.000 3.60985e+01 180.000 0.2928 
1 1 1 10 0  53 o 18 6.68810e+01 1.62773e+01 2.94293e+01 45.000  7.21298e-01  7.21298e-01  0.00000e+00 0.00000e+00 8.61288e+01 45.000  5.66995e+01 45.000  0.7699 
1 1 1 10 0  54 o 14 8.02356e+01 1.25915e+01 6.94135e+01 270.000 -2.12272e-16 -3.46666e+00 0.00000e+00 0.00000e+00 1.09475e+02 270.000 4.00610e+01 270.000 0.9981 
1 1 1 10 0  55 o 17 4.76656e+01 1.95242e+01 9.38554e+01 315.000 1.71472e+00  -1.71472e+00 0.00000e+00 0.00000e+00 1.04781e+01 315.000 8.33773e+01 135.000 0.9845 
1 1 1 10 0  56 o 6  1.54422e+02 8.60952e+00 2.11033e+02 180.000 -2.17952e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.30670e+02 180.000 8.03633e+01 0.000   1.0000 
1 1 1 10 0  57 o 8  1.65304e+02 8.19877e+00 1.61787e+02 45.000  1.48689e+01  1.48689e+01  0.00000e+00 0.00000e+00 2.02216e+02 45.000  4.04291e+01 45.000  1.0000 
1 1 1 10 0  58 o 13 8.47708e+01 1.59003e+01 8.91205e+01 90.000  3.10532e-16  5.07137e+00  0.00000e+00 0.00000e+00 9.66087e+01 90.000  7.48820e+00 90.000  0.9999 
1 1 1 10 0  59 o 12 1.28948e+02 9.51284e+00 9.52585e+01 315.000 7.40449e+00  -7.40449e+00 0.00000e+00 0.00000e+00 1.85861e+02 315.000 9.06022e+01 315.000 1.0000 
1 1 1 10 0  60 o 16 9.78555e+01 1.21583e+01 8.53391e+01 0.000   6.65349e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.26903e+02 0.000   4.15635e+01 0.000   1.0000 
1 1 1 10 0  61 o 12 8.06823e+01 1.53611e+01 7.05416e+01 225.000 -3.45418e+00 -3.45418e+00 0.00000e+00 0.00000e+00 1.03522e+02 225.000 3.29807e+01 225.000 0.9999 
1 1 1 10 0  62 o 8  1.08114e+02 1.35379e+01 1.17776e+02 270.000 -7.26135e-16 -1.18587e+01 0.00000e+00 0.00000e+00 1.14261e+02 270.000 3.51591e+00 90.000  1.0000 
1 1 1 10 0  63 o 2  2.98554e+01 1.86406e+01 5.23470e+00 135.000 -9.30386e-02 9.30386e-02  0.00000e+00 0.00000e+00 3.10285e+00 135.000 2.13186e+00 315.000 0.1308 
1 1 1 10 0  64 o 4  2.37001e+01 1.64316e+01 2.23264e+01 180.000 -5.32163e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.17902e+00 180.000 2.01474e+01 0.000   0.4870 
1 1 1 10 0  65 o 16 1.60927e+01 1.17402e+01 3.26222e+01 45.000  4.74197e-01  4.74197e-01  0.00000e+00 0.00000e+00 1.27334e+01 225.000 4.53557e+01 225.000 0.5854 
1 1 1 10 1  0  o 11 4.75696e+02 4.93007e+00 5.66582e+02 0.000   2.20176e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.38681e+02 0.000   7.20986e+01 0.000   1.0000 
1 1 1 10 1  1  o 6  1.21296e+02 3.75834e+00 2.70004e+02 249.936 -1.83357e+00 -5.02017e+00 0.00000e+00 0.00000e+00 6.82266e+00 249.936 2.63182e+02 69.936  0.9008 
1 1 1 10 1  2  o 11 1.49828e+02 3.28057e+00 2.48768e+02 28.362  5.34377e+00  2.88473e+00  0.00000e+00 0.00000e+00 9.79413e+01 28.362  1.50827e+02 208.362 0.9135 
1 1 1 10 1  3  o 18 5.36569e+02 3.77212e+00 6.72521e+02 142.929 -5.90336e+01 4.45999e+01  0.00000e+00 0.00000e+00 6.77230e+02 142.929 4.70969e+00 142.929 0.9932 
1 1 1 10 1  4  o 19 3.23285e+02 2.94710e+00 3.66119e+02 121.452 -1.26081e+01 2.06129e+01  0.00000e+00 0.00000e+00 4.35295e+02 121.452 6.91763e+01 121.452 0.9791 
1 1 1 10 1  5  o 6  1.77352e+02 3.09661e+00 2.17087e+02 156.536 -7.15589e+00 3.10605e+00  0.00000e+00 0.00000e+00 2.01938e+02 156.536 1.51488e+01 336.536 0.9335 
1 1 1 10 1  6  o 2  1.95258e+02 2.99836e+00 1.45315e+02 11.165  5.59206e+00  1.10374e+00  0.00000e+00 0.00000e+00 3.02913e+02 11.165  1.57598e+02 11.165  0.9074 
1 1 1 10 1  7  o 8  2.81149e+02 2.89909e+00 3.87053e+02 290.934 7.73353e+00  -2.02161e+01 0.00000e+00 0.00000e+00 3.07165e+02 290.934 7.98877e+01 110.934 0.9766 
1 1 1 10 1  8  o 10 1.95236e+02 3.02298e+00 3.21100e+02 283.725 2.92487e+00  -1.19753e+01 0.00000e+00 0.00000e+00 1.51750e+02 283.725 1.69350e+02 103.725 0.9585 
1 1 1 10 1  9  o 9  2.53468e+02 2.89735e+00 3.05151e+02 116.377 -5.90059e+00 1.18988e+01  0.00000e+00 0.00000e+00 3.10230e+02 116.377 5.07930e+00 116.377 0.9616 
1 1 1 10 1  10 o 10 3.67153e+02 3.23329e+00 4.58977e+02 211.214 -2.44285e+01 -1.48028e+01 0.00000e+00 0.00000e+00 4.50907e+02 211.214 8.06959e+00 31.214  0.9823 
1 1 1 10 1  11 o 11 1.95015e+02 3.16214e+00 1.15506e+02 3.534   3.76085e+00  2.32250e-01  0.00000e+00 0.00000e+00 3.04248e+02 3.534   1.88742e+02 3.534   0.8540 
1 1 1 10 1  12 o 3  1.24444e+02 3.84655e+00 1.31606e+02 4.021   2.63047e+00  1.84903e-01  0.00000e+00 0.00000e+00 1.12527e+02 4.021   1.90786e+01 184.021 0.7791 
1 1 1 10 1  13 o 12 4.80254e+02 3.68630e+00 5.69524e+02 297.590 2.00715e+01  -3.84092e+01 0.00000e+00 0.00000e+00 6.24428e+02 297.590 5.49044e+01 297.590 0.9884 
1 1 1 10 1  14 o 19 3.91548e+02 3.20015e+00 6.60099e+02 114.332 -1.66021e+01 3.67140e+01  0.00000e+00 0.00000e+00 3.11321e+02 114.332 3.48778e+02 294.332 0.9875 
1 1 1 10 1  15 o 1  4.46640e+02 3.41350e+00 6.72692e+02 261.870 -7.78447e+00 -5.44893e+01 0.00000e+00 0.00000e+00 4.37793e+02 261.870 2.34899e+02 81.870  0.9909 
1 1 1 10 1  16 o 6  3.27560e+02 3.05060e+00 2.89760e+02 179.818 -1.70558e+01 5.40219e-02  0.00000e+00 0.00000e+00 5.06621e+02 179.818 2.16861e+02 179.818 0.9702 
1 1 1 10 1  17 o 15 4.63192e+02 3.60340e+00 7.25809e+02 74.745  1.53355e+01  5.62290e+01  0.00000e+00 0.00000e+00 4.23244e+02 74.745  3.02565e+02 254.745 0.9914 
1 1 1 10 1  18 o 8  5.23339e+01 8.65597e+00 1.30837e+02 192.054 -1.11931e+00 -2.39013e-01 0.00000e+00 0.00000e+00 6.60773e+01 12.054  1.96914e+02 12.054  0.4953 
1 1 1 10 1  19 o 2  6.11725e+01 8.24598e+00 2.12290e+02 284.339 4.52568e-01  -1.77050e+00 0.00000e+00 0.00000e+00 1.10462e+02 104.339 3.22752e+02 104.339 0.6673 
1 1 1 10 1  20 o 13 1.69383e+02 4.15437e+00 1.70540e+02 317.749 2.96214e+00  -2.69074e+00 0.00000e+00 0.00000e+00 1.93741e+02 317.749 2.32016e+01 317.749 0.8636 
1 1 1 10 1  21 o 19 1.44676e+02 4.74461e+00 8.94226e+01 270.340 1.26873e-02  -2.13721e+00 0.00000e+00 0.00000e+00 1.69195e+02 270.340 7.97724e+01 270.340 0.7191 
1 1 1 10 1  22 o 17 4.82355e+02 4.23153e+00 4.71839e+02 351.684 3.08665e+01  -4.51176e+00 0.00000e+00 0.00000e+00 7.05700e+02 351.684 2.33861e+02 351.684 0.9838 
1 1 1 10 1  23 o 14 8.75288e+01 5.76667e+00 2.48594e+02 278.672 4.36308e-01  -2.86058e+00 0.00000e+00 0.00000e+00 7.47895e+01 98.672  3.23384e+02 98.672  0.8018 
1 1 1 10 1  24 o 2  2.21930e+02 3.26790e+00 2.69484e+02 258.380 -2.07212e+00 -1.00763e+01 0.00000e+00 0.00000e+00 2.51634e+02 258.380 1.78503e+01 78.380  0.9501 
1 1 1 10 1  25 o 11 1.80331e+02 3.46183e+00 3.51664e+02 145.334 -8.37180e+00 5.78964e+00  0.00000e+00 0.00000e+00 7.06367e+01 145.334 2.81028e+02 325.334 0.9495 
1 1 1 10 1  26 o 7  4.83186e+02 3.87128e+00 4.45029e+02 283.568 7.84724e+00  -3.25155e+01 0.00000e+00 0.00000e+00 7.26114e+02 283.568 2.81085e+02 283.568 0.9849 
1 1 1 10 1  27 o 19 2.38935e+02 3.09813e+00 3.39933e+02 58.861  7.87539e+00  1.30353e+01  0.00000e+00 0.00000e+00 2.27112e+02 58.861  1.12821e+02 238.861 0.9666 
1 1 1 10 1  28 o 9  6.92121e+02 4.67151e+00 8.00256e+02 44.109  8.21415e+01  7.96251e+01  0.00000e+00 0.00000e+00 8.87618e+02 44.109  8.73617e+01 44.109  0.9956 
1 1 1 10 1  29 o 10 5.30411e+02 4.24867e+00 5.80518e+02 40.335  4.74808e+01  4.03171e+01  0.00000e+00 0.00000e+00 7.05047e+02 40.335  1.24528e+02 40.335  0.9919 
1 1 1 10 1  30 o 19 4.63003e+02 3.75145e+00 5.13688e+02 90.234  -2.03735e-01 4.99504e+01  0.00000e+00 0.00000e+00 6.03390e+02 90.234  8.97027e+01 90.234  0.9899 
1 1 1 10 1  31 o 13 9.97711e+01 5.92297e+00 8.22355e+01 30.351  1.59519e+00  9.34075e-01  0.00000e+00 0.00000e+00 8.05624e+01 30.351  1.67317e+00 210.351 0.6713 
1 1 1 10 1  32 o 11 1.91011e+02 4.21885e+00 2.21340e+02 163.590 -9.54422e+00 2.81077e+00  0.00000e+00 0.00000e+00 2.17783e+02 163.590 3.55718e+00 343.590 0.9483 
1 1 1 10 1  33 o 2  2.78898e+02 3.54706e+00 3.93947e+02 340.366 2.70572e+01  -9.65267e+00 0.00000e+00 0.00000e+00 2.68423e+02 340.366 1.25524e+02 160.366 0.9824 
1 1 1 10 1  34 o 11 5.27330e+02 4.51331e+00 5.36562e+02 58.040  4.02660e+01  6.45401e+01  0.00000e+00 0.00000e+00 7.26150e+02 58.040  1.89588e+02 58.040  0.9934 
1 1 1 10 1  35 o 11 1.15389e+02 5.25339e+00 3.58566e+01 257.704 -2.69359e-01 -1.23578e+00 0.00000e+00 0.00000e+00 1.11781e+02 257.704 7.59249e+01 257.704 0.5324 
1 1 1 10 1  36 o 4  8.89089e+01 6.20080e+00 1.00432e+02 302.243 1.65816e+00  -2.62873e+00 0.00000e+00 0.00000e+00 7.37453e+01 302.243 2.66870e+01 122.243 0.8177 
1 1 1 10 1  37 o 15 1.07680e+02 5.17128e+00 1.49139e+02 90.780  -7.11789e-02 5.22669e+00  0.00000e+00 0.00000e+00 8.19120e+01 90.780  6.72270e+01 270.780 0.8984 
1 1 1 10 1  39 o 8  2.61270e+02 3.18149e+00 3.02505e+02 45.905  2.16438e+01  2.23384e+01  0.00000e+00 0.00000e+00 3.07382e+02 45.905  4.87709e+00 45.905  0.9838 
1 1 1 10 1  40 o 12 2.02463e+02 3.29568e+00 2.13356e+02 169.926 -1.88463e+01 3.34826e+00  0.00000e+00 0.00000e+00 2.52731e+02 169.926 3.93757e+01 169.926 0.9735 
1 1 1 10 1  41 o 6  2.55873e+02 3.89947e+00 2.87983e+02 250.959 -1.03392e+01 -2.99573e+01 0.00000e+00 0.00000e+00 3.05380e+02 250.959 1.73970e+01 250.959 0.9841 
1 1 1 10 1  42 o 12 2.30885e+02 3.15687e+00 1.50267e+02 42.860  1.22909e+01  1.14053e+01  0.00000e+00 0.00000e+00 3.75437e+02 42.860  2.25170e+02 42.860  0.9697 
1 1 1 10 1  43 o 13 1.77484e+02 3.88541e+00 1.94096e+02 175.519 -1.86899e+01 1.46470e+00  0.00000e+00 0.00000e+00 2.09888e+02 175.519 1.57911e+01 175.519 0.9730 
1 1 1 10 1  44 o 14 4.41567e+01 9.00245e+00 7.36911e+01 0.611   1.55271e+00  1.65494e-02  0.00000e+00 0.00000e+00 1.10245e+01 180.611 8.47156e+01 180.611 0.6089 
1 1 1 10 1  45 o 9  1.64455e+02 3.32338e+00 1.46871e+02 216.598 -1.27498e+01 -9.46818e+00 0.00000e+00 0.00000e+00 2.22728e+02 216.598 7.58572e+01 216.598 0.9680 
1 1 1 10 1  46 o 3  1.16801e+02 3.83502e+00 1.61878e+02 105.630 -3.49094e+00 1.24775e+01  0.00000e+00 0.00000e+00 9.75993e+01 105.630 6.42789e+01 285.630 0.9606 
1 1 1 10 1  47 o 13 1.00373e+02 4.11150e+00 1.08602e+02 328.099 6.31730e+00  -3.93233e+00 0.00000e+00 0.00000e+00 1.06447e+02 328.099 2.15485e+00 148.099 0.9302 
1 1 1 10 1  48 o 19 4.46222e+01 8.71473e+00 4.95553e+01 106.676 -4.33109e-01 1.44586e+00  0.00000e+00 0.00000e+00 1.17015e+01 106.676 3.78538e+01 286.676 0.5984 
1 1 1 10 1  49 o 11 7.30516e+01 4.86904e+00 4.67603e+01 274.758 2.51165e-01  -3.01740e+00 0.00000e+00 0.00000e+00 8.87489e+01 274.758 4.19887e+01 274.758 0.8120 
1 1 1 10 1  50 o 13 1.15560e+02 5.22979e+00 1.53372e+02 293.741 6.97436e+00  -1.58570e+01 0.00000e+00 0.00000e+00 1.01785e+02 293.741 5.15875e+01 113.741 0.9707 
1 1 1 10 1  51 o 16 4.75765e+01 9.18000e+00 7.15210e+00 110.883 -1.13694e-01 2.98004e-01  0.00000e+00 0.00000e+00 9.81671e+00 110.883 2.66461e+00 110.883 0.1575 
1 1 1 10 1  52 o 5  5.10557e+01 8.94681e+00 6.50088e+01 62.508  1.60988e+00  3.09356e+00  0.00000e+00 0.00000e+00 3.17402e+01 62.508  3.32686e+01 242.508 0.8404 
1 1 1 10 1  53 o 12 1.13295e+02 7.84029e+00 9.08242e+01 178.982 -1.16095e+01 2.06369e-01  0.00000e+00 0.00000e+00 1.52262e+02 178.982 6.14374e+01 178.982 0.9559 
1 1 1 10 1  54 o 17 9.74198e+01 7.76549e+00 1.10139e+02 268.538 -3.49605e-01 -1.36981e+01 0.00000e+00 0.00000e+00 9.94173e+01 268.538 1.07220e+01 88.538  0.9628 
1 1 1 10 1  55 o 9  3.97534e+01 1.13573e+01 1.04135e+02 106.861 -1.40457e+00 4.63444e+00  0.00000e+00 0.00000e+00 2.54935e+01 286.861 1.29628e+02 286.861 0.8896 
1 1 1 10 1  56 o 10 9.90430e+01 8.45780e+00 1.40652e+02 285.844 4.83493e+00  -1.70362e+01 0.00000e+00 0.00000e+00 7.22587e+01 285.844 6.83933e+01 105.844 0.9713 
1 1 1 10 1  57 o 18 9.88941e+01 7.66647e+00 1.23887e+02 114.227 -7.56744e+00 1.68172e+01  0.00000e+00 0.00000e+00 8.79217e+01 114.227 3.59650e+01 294.227 0.9725 
1 1 1 10 1  58 o 11 9.07547e+01 7.28071e+00 9.98481e+01 284.797 3.47932e+00  -1.31711e+01 0.00000e+00 0.00000e+00 9.15909e+01 284.797 8.25717e+00 104.797 0.9626 
1 1 1 10 1  59 f 0  9.87501e+01 6.95482e+00 1.10842e+02 109.561 -6.20563e+00 1.74650e+01  0.00000e+00 0.00000e+00 9.85820e+01 109.561 1.22604e+01 289.561 0.9726 
1 1 1 10 1  60 o 3  1.79849e+02 5.03125e+00 1.91635e+02 163.473 -5.74142e+01 1.70365e+01  0.00000e+00 0.00000e+00 1.95230e+02 163.473 3.59583e+00 163.473 0.9916 
1 1 1 10 1  61 o 9  1.03508e+02 7.06854e+00 7.47203e+01 308.686 9.48486e+00  -1.18448e+01 0.00000e+00 0.00000e+00 1.41155e+02 308.686 6.64344e+01 308.686 0.9665 
1 1 1 10 1  62 o 11 1.18302e+02 6.98545e+00 8.69239e+01 46.157  1.57682e+01  1.64183e+01  0.00000e+00 0.00000e+00 1.61373e+02 46.157  7.44494e+01 46.157  0.9778 
1 1 1 10 1  63 o 4  9.98294e+01 7.43862e+00 7.34956e+01 148.375 -1.33508e+01 8.22140e+00  0.00000e+00 0.00000e+00 1.32726e+02 148.375 5.92307e+01 148.375 0.9676 
1 1 1 10 1  64 o 4  5.81546e+01 1.17718e+01 4.68092e+01 8.879   5.36482e+00  8.38119e-01  0.00000e+00 0.00000e+00 6.46303e+01 8.879   1.78210e+01 8.879   0.9025 
1 1 1 10 1  65 o 7  4.16545e+01 1.14968e+01 6.28882e+01 78.979  1.09214e+00  5.60760e+00  0.00000e+00 0.00000e+00 1.69448e+01 78.979  4.59434e+01 258.979 0.9077 
1 1 1 10 2  0  o 17 1.19514e+02 5.44439e+00 1.73325e+02 0.000   2.10729e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.20792e+02 0.000   5.25331e+01 180.000 0.9709 
1 1 1 10 2  1  f 0  2.12215e+02 2.92201e+00 1.75783e+02 167.634 -7.41963e+00 1.62672e+00  0.00000e+00 0.00000e+00 3.25336e+02 167.634 1.49554e+02 167.634 0.9316 
1 1 1 10 2  2  o 13 6.00736e+01 6.69394e+00 1.92345e+01 289.143 7.62572e-02  -2.19684e-01 0.00000e+00 0.00000e+00 1.65124e+00 109.143 2.08857e+01 109.143 0.1155 
1 1 1 10 2  3  o 2  1.59959e+02 3.23110e+00 1.93608e+02 37.231  4.98631e+00  3.78906e+00  0.00000e+00 0.00000e+00 1.77750e+02 37.231  1.58578e+01 217.231 0.9163 
1 1 1 10 2  4  o 18 4.59436e+02 3.42591e+00 5.31672e+02 3.321   4.90250e+01  2.84518e+00  0.00000e+00 0.00000e+00 6.20174e+02 3.321   8.85020e+01 3.321   0.9898 
1 1 1 10 2  5  o 13 2.24548e+02 2.93385e+00 3.69574e+02 244.645 -7.10010e+00 -1.49833e+01 0.00000e+00 0.00000e+00 1.81566e+02 244.645 1.88009e+02 64.645  0.9694 
1 1 1 10 2  6  o 17 2.54536e+02 2.97919e+00 2.06323e+02 277.672 1.38903e+00  -1.03113e+01 0.00000e+00 0.00000e+00 4.06078e+02 277.672 1.99755e+02 277.672 0.9507 
1 1 1 10 2  7  o 15 2.70400e+02 2.91027e+00 3.45521e+02 143.402 -1.47189e+01 1.09305e+01  0.00000e+00 0.00000e+00 3.19510e+02 143.402 2.60112e+01 323.402 0.9723 
1 1 1 10 2  8  o 15 2.66206e+01 8.12776e+00 1.86990e+02 56.709  4.63106e-01  7.05247e-01  0.00000e+00 0.00000e+00 1.60862e+02 236.709 3.47851e+02 236.709 0.3883 
1 1 1 10 2  9  o 8  1.12713e+02 4.11788e+00 1.20344e+02 73.933  6.35913e-01  2.20800e+00  0.00000e+00 0.00000e+00 9.06462e+01 73.933  2.96978e+01 253.933 0.7411 
1 1 1 10 2  10 o 19 2.76113e+02 3.08105e+00 4.26758e+02 83.049  2.39069e+00  1.96080e+01  0.00000e+00 0.00000e+00 2.52236e+02 83.049  1.74522e+02 263.049 0.9743 
1 1 1 10 2  11 o 10 9.79548e+01 4.84359e+00 2.26497e+02 93.984  -2.54406e-01 3.65248e+00  0.00000e+00 0.00000e+00 1.67683e+01 273.984 2.43265e+02 273.984 0.8491 
1 1 1 10 2  12 o 5  4.49426e+02 3.44105e+00 5.34221e+02 265.850 -2.76701e+00 -3.81311e+01 0.00000e+00 0.00000e+00 5.83006e+02 265.850 4.87849e+01 265.850 0.9868 
1 1 1 10 2  13 o 18 2.15166e+02 3.13702e+00 1.85576e+02 134.844 -4.41518e+00 4.43936e+00  0.00000e+00 0.00000e+00 3.10505e+02 134.844 1.24929e+02 134.844 0.9162 
1 1 1 10 2  14 o 13 3.35275e+02 3.22342e+00 3.44551e+02 255.735 -5.25463e+00 -2.06676e+01 0.00000e+00 0.00000e+00 4.78134e+02 255.735 1.33583e+02 255.735 0.9763 
1 1 1 10 2  15 o 3  4.82048e+02 3.83227e+00 6.14036e+02 208.944 -4.68796e+01 -2.59258e+01 0.00000e+00 0.00000e+00 5.84692e+02 208.944 2.93435e+01 28.944  0.9906 
1 1 1 10 2  16 o 9  2.42140e+02 3.00686e+00 4.27424e+02 60.963  8.92915e+00  1.60841e+01  0.00000e+00 0.00000e+00 1.62867e+02 60.963  2.64558e+02 240.963 0.9724 
1 1 1 10 2  17 o 3  3.66845e+02 3.37255e+00 3.67835e+02 223.116 -1.68772e+01 -1.58022e+01 0.00000e+00 0.00000e+00 5.30424e+02 223.116 1.62589e+02 223.116 0.9781 
1 1 1 10 2  18 o 2  2.90702e+02 3.37734e+00 2.83812e+02 149.302 -1.02095e+01 6.06160e+00  0.00000e+00 0.00000e+00 4.11515e+02 149.302 1.27703e+02 149.302 0.9569 
1 1 1 10 2  19 o 11 2.36017e+02 3.41926e+00 3.55031e+02 43.838  8.49336e+00  8.15554e+00  0.00000e+00 0.00000e+00 2.08377e+02 43.838  1.46654e+02 223.838 0.9565 
1 1 1 10 2  20 o 18 4.33917e+02 3.78502e+00 4.30802e+02 69.473  1.09992e+01  2.93766e+01  0.00000e+00 0.00000e+00 6.32884e+02 69.473  2.02083e+02 69.473  0.9839 
1 1 1 10 2  21 o 15 3.34942e+02 3.43671e+00 4.23132e+02 25.586  2.09456e+01  1.00294e+01  0.00000e+00 0.00000e+00 3.91730e+02 25.586  3.14015e+01 205.586 0.9782 
1 1 1 10 2  22 o 17 2.07602e+02 3.40070e+00 2.71001e+02 150.106 -6.61910e+00 3.80526e+00  0.00000e+00 0.00000e+00 2.09306e+02 150.106 6.16956e+01 330.106 0.9320 
1 1 1 10 2  23 o 12 3.46809e+02 3.25374e+00 4.54117e+02 44.122  1.98105e+01  1.92127e+01  0.00000e+00 0.00000e+00 3.89413e+02 44.122  6.47036e+01 224.122 0.9817 
1 1 1 10 2  24 o 2  4.07038e+02 3.69820e+00 5.01440e+02 298.291 1.64462e+01  -3.05549e+01 0.00000e+00 0.00000e+00 4.90376e+02 298.291 1.10642e+01 118.291 0.9855 
1 1 1 10 2  25 o 5  2.81231e+02 3.44084e+00 4.02180e+02 285.842 4.90279e+00  -1.72780e+01 0.00000e+00 0.00000e+00 2.72110e+02 285.842 1.30070e+02 105.842 0.9717 
1 1 1 10 2  26 o 2  1.20047e+02 4.80882e+00 2.59919e+02 213.147 -4.98524e+00 -3.25561e+00 0.00000e+00 0.00000e+00 9.51143e+00 213.147 2.50408e+02 33.147  0.9116 
1 1 1 10 2  27 o 19 3.23005e+02 3.36619e+00 5.29224e+02 62.391  1.67262e+01  3.19822e+01  0.00000e+00 0.00000e+00 2.53102e+02 62.391  2.76122e+02 242.391 0.9860 
1 1 1 10 2  28 o 3  1.80518e+02 3.68177e+00 2.34903e+02 284.791 2.22120e+00  -8.41235e+00 0.00000e+00 0.00000e+00 1.81195e+02 284.791 5.37081e+01 104.791 0.9406 
1 1 1 10 2  29 o 1  1.15231e+02 4.95530e+00 1.72550e+02 53.481  2.36745e+00  3.19722e+00  0.00000e+00 0.00000e+00 7.04488e+01 53.481  1.02101e+02 233.481 0.8627 
1 1 1 10 2  30 o 18 7.70871e+02 5.62231e+00 7.49973e+02 269.505 -1.03503e+00 -1.19832e+02 0.00000e+00 0.00000e+00 1.12174e+03 269.505 3.71764e+02 269.505 0.9958 
1 1 1 10 2  32 o 9  6.54569e+02 5.13397e+00 6.61082e+02 78.190  2.06140e+01  9.85898e+01  0.00000e+00 0.00000e+00 9.18500e+02 78.190  2.57418e+02 78.190  0.9950 
1 1 1 10 2  33 o 2  2.21687e+02 3.72315e+00 2.37133e+02 290.951 4.87308e+00  -1.27273e+01 0.00000e+00 0.00000e+00 2.78943e+02 290.951 4.18101e+01 290.951 0.9626 
1 1 1 10 2  34 o 4  3.48614e+02 3.87823e+00 3.46159e+02 76.169  7.70722e+00  3.13059e+01  0.00000e+00 0.00000e+00 4.81368e+02 76.169  1.35209e+02 76.169  0.9844 
1 1 1 10 2  35 o 10 1.50743e+02 3.78137e+00 1.01688e+02 80.441  7.76190e-01  4.60911e+00  0.00000e+00 0.00000e+00 2.19146e+02 80.441  1.17457e+02 80.441  0.8852 
1 1 1 10 2  36 o 15 1.41631e+02 3.96145e+00 2.16858e+02 212.901 -8.99797e+00 -5.82132e+00 0.00000e+00 0.00000e+00 1.06375e+02 212.901 1.10483e+02 32.901  0.9521 
1 1 1 10 2  37 o 3  2.82694e+02 3.14506e+00 3.63411e+02 85.041  2.88898e+00  3.32967e+01  0.00000e+00 0.00000e+00 3.01878e+02 85.041  6.15327e+01 265.041 0.9849 
1 1 1 10 2  39 o 3  4.99654e+01 9.21291e+00 8.23708e+01 331.564 1.36770e+00  -7.40635e-01 0.00000e+00 0.00000e+00 1.00768e+01 151.564 9.24476e+01 151.564 0.6095 
1 1 1 10 2  40 f 0  2.55170e+02 3.35298e+00 2.33623e+02 95.224  -2.39068e+00 2.61488e+01  0.00000e+00 0.00000e+00 3.58427e+02 95.224  1.24804e+02 95.224  0.9808 
1 1 1 10 2  41 o 15 1.11035e+02 4.98223e+00 1.25310e+02 350.821 5.95236e+00  -9.61826e-01 0.00000e+00 0.00000e+00 1.13630e+02 350.821 1.16803e+01 170.821 0.9128 
1 1 1 10 2  42 o 14 5.22777e+01 8.26510e+00 1.14813e+02 134.731 -1.96529e+00 1.98380e+00  0.00000e+00 0.00000e+00 1.73829e+01 314.731 1.32196e+02 314.731 0.7934 
1 1 1 10 2  43 o 10 2.41403e+02 3.35116e+00 2.65639e+02 265.055 -2.99906e+00 -3.46643e+01 0.00000e+00 0.00000e+00 2.91171e+02 265.055 2.55324e+01 265.055 0.9855 
1 1 1 10 2  44 o 17 1.48095e+02 3.86058e+00 2.11877e+02 269.449 -1.48614e-01 -1.54584e+01 0.00000e+00 0.00000e+00 1.22070e+02 269.449 8.98076e+01 89.449  0.9671 
1 1 1 10 2  45 o 14 5.19078e+01 8.61410e+00 7.53852e+01 123.032 -1.39828e+00 2.15050e+00  0.00000e+00 0.00000e+00 1.76813e+01 123.032 5.77039e+01 303.032 0.7719 
1 1 1 10 2  46 o 8  9.75460e+01 5.11969e+00 1.08567e+02 34.514  5.89723e+00  4.05519e+00  0.00000e+00 0.00000e+00 1.00700e+02 34.514  7.86704e+00 214.514 0.9272 
1 1 1 10 2  47 o 9  1.37048e+02 4.41914e+00 1.85736e+02 288.030 5.91157e+00  -1.81612e+01 0.00000e+00 0.00000e+00 1.21691e+02 288.030 6.40450e+01 108.030 0.9735 
1 1 1 10 2  48 o 13 3.64716e+01 9.93687e+00 4.16130e+01 339.520 9.49199e-01  -3.54512e-01 0.00000e+00 0.00000e+00 3.85894e+00 159.520 4.54720e+01 159.520 0.4511 
1 1 1 10 2  49 o 8  5.33341e+01 9.32274e+00 3.21585e+01 16.049  1.36758e+00  3.93404e-01  0.00000e+00 0.00000e+00 3.81128e+01 16.049  5.95428e+00 16.049  0.5765 
1 1 1 10 2  50 o 2  8.75358e+01 6.63969e+00 8.28075e+01 116.206 -3.05889e+00 6.21473e+00  0.00000e+00 0.00000e+00 1.01393e+02 116.206 1.85854e+01 116.206 0.9247 
1 1 1 10 2  51 o 1  1.44449e+02 4.42859e+00 1.72901e+02 340.083 2.35319e+01  -8.52623e+00 0.00000e+00 0.00000e+00 1.47776e+02 340.083 2.51249e+01 160.083 0.9798 
1 1 1 10 2  52 o 8  1.52121e+02 4.61978e+00 1.35144e+02 31.484  1.97186e+01  1.20761e+01  0.00000e+00 0.00000e+00 2.00491e+02 31.484  6.53470e+01 31.484  0.9781 
1 1 1 10 2  54 o 2  3.83710e+01 9.99231e+00 6.14302e+01 321.665 2.22735e+00  -1.76128e+00 0.00000e+00 0.00000e+00 6.95789e+00 321.665 5.44723e+01 141.665 0.7974 
1 1 1 10 2  55 o 13 1.09619e+02 6.57777e+00 8.87565e+01 126.671 -7.33651e+00 9.85299e+00  0.00000e+00 0.00000e+00 1.44964e+02 126.671 5.62073e+01 126.671 0.9584 
1 1 1 10 2  56 o 11 1.32992e+02 4.32789e+00 9.23915e+01 111.300 -6.10674e+00 1.56632e+01  0.00000e+00 0.00000e+00 1.93162e+02 111.300 1.00771e+02 111.300 0.9698 
1 1 1 10 2  57 o 10 1.41293e+02 6.20419e+00 1.23743e+02 193.096 -2.64344e+01 -6.14971e+00 0.00000e+00 0.00000e+00 1.81774e+02 193.096 5.80308e+01 193.096 0.9814 
1 1 1 10 2  58 o 18 6.58375e+01 1.14544e+01 8.64098e+01 303.358 4.10254e+00  -6.23178e+00 0.00000e+00 0.00000e+00 4.78768e+01 303.358 3.85331e+01 123.358 0.9303 
1 1 1 10 2  59 o 17 9.78358e+01 7.62148e+00 1.14586e+02 264.749 -1.70130e+00 -1.85119e+01 0.00000e+00 0.00000e+00 9.30056e+01 264.749 2.15801e+01 84.749  0.9727 
1 1 1 10 2  60 o 12 4.03176e+01 1.12121e+01 5.39770e+01 235.878 -1.77868e+00 -2.62490e+00 0.00000e+00 0.00000e+00 1.79324e+01 235.878 3.60445e+01 55.878  0.8219 
1 1 1 10 2  61 o 16 1.19889e+02 9.30988e+00 1.41660e+02 79.151  5.80304e+00  3.02803e+01  0.00000e+00 0.00000e+00 1.12932e+02 79.151  2.87287e+01 259.151 0.9836 
1 1 1 10 2  62 o 19 4.42482e+01 1.18788e+01 4.68278e+01 315.658 2.68385e+00  -2.62288e+00 0.00000e+00 0.00000e+00 3.42524e+01 315.658 1.25753e+01 135.658 0.8533 
1 1 1 10 2  63 o 15 1.21143e+02 7.17950e+00 1.20454e+02 93.314  -2.00807e+00 3.46755e+01  0.00000e+00 0.00000e+00 1.34544e+02 93.314  1.40902e+01 93.314  0.9855 
1 1 1 10 2  64 o 16 8.27205e+01 1.17814e+01 7.54715e+01 72.819  3.62527e+00  1.17252e+01  0.00000e+00 0.00000e+00 9.29275e+01 72.819  1.74560e+01 72.819  0.9584 
1 1 1 10 3  0  o 17 1.33943e+02 5.18017e+00 3.33826e+02 180.000 -4.44377e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.83454e+00 180.000 3.27992e+02 0.000   0.9997 
1 1 1 10 3  1  o 1  9.81720e+01 4.53034e+00 5.65359e+01 62.946  5.00494e-01  9.79987e-01  0.00000e+00 0.00000e+00 6.31960e+01 62.946  6.66010e+00 62.946  0.4808 
1 1 1 10 3  2  f 0  1.53612e+02 3.37367e+00 2.43920e+02 261.945 -1.04090e+00 -7.35565e+00 0.00000e+00 0.00000e+00 1.18401e+02 261.945 1.25519e+02 81.945  0.9300 
1 1 1 10 3  3  o 1  1.76314e+02 3.04417e+00 3.26205e+02 40.685  8.61960e+00  7.40998e+00  0.00000e+00 0.00000e+00 1.00711e+02 40.685  2.25494e+02 220.684 0.9549 
1 1 1 10 3  4  o 11 1.25769e+02 3.74991e+00 1.59970e+02 305.754 2.30863e+00  -3.20638e+00 0.00000e+00 0.00000e+00 1.14714e+02 305.754 4.52552e+01 125.754 0.8616 
1 1 1 10 3  5  o 4  2.80612e+02 2.94176e+00 3.43099e+02 231.102 -1.04391e+01 -1.29382e+01 0.00000e+00 0.00000e+00 3.46196e+02 231.102 3.09678e+00 231.102 0.9694 
1 1 1 10 3  6  o 6  1.67543e+02 3.32502e+00 1.98937e+02 208.557 -5.01533e+00 -2.72954e+00 0.00000e+00 0.00000e+00 1.86180e+02 208.557 1.27566e+01 28.557  0.9076 
1 1 1 10 3  7  o 17 1.57865e+02 3.30841e+00 8.58060e+01 116.308 -1.01980e+00 2.06269e+00  0.00000e+00 0.00000e+00 2.10492e+02 116.308 1.24686e+02 116.308 0.7415 
1 1 1 10 3  8  o 7  1.08140e+02 4.22489e+00 1.67103e+02 90.076  -4.00124e-03 3.03609e+00  0.00000e+00 0.00000e+00 5.51872e+01 90.076  1.11916e+02 270.075 0.8126 
1 1 1 10 3  9  o 11 5.03364e+02 3.68280e+00 7.28110e+02 50.128  3.91011e+01  4.68110e+01  0.00000e+00 0.00000e+00 5.33779e+02 50.128  1.94331e+02 230.128 0.9918 
1 1 1 10 3  10 o 7  1.21397e+02 4.54249e+00 1.22872e+02 5.496   2.38214e+00  2.29211e-01  0.00000e+00 0.00000e+00 1.07958e+02 5.496   1.49140e+01 185.496 0.7529 
1 1 1 10 3  11 o 3  1.31256e+02 4.10205e+00 2.37358e+02 279.201 7.89105e-01  -4.87153e+00 0.00000e+00 0.00000e+00 5.80290e+01 279.201 1.79330e+02 99.201  0.8919 
1 1 1 10 3  12 o 13 1.08204e+02 4.28552e+00 6.89018e+01 346.859 1.13338e+00  -2.64596e-01 0.00000e+00 0.00000e+00 6.78755e+01 346.859 1.02638e+00 166.859 0.5014 
1 1 1 10 3  13 o 9  5.71280e+02 4.12992e+00 5.65002e+02 286.741 1.71057e+01  -5.68687e+01 0.00000e+00 0.00000e+00 8.61398e+02 286.741 2.96396e+02 286.741 0.9915 
1 1 1 10 3  14 o 12 1.02673e+02 4.76209e+00 2.77658e+02 67.641  1.95842e+00  4.76114e+00  0.00000e+00 0.00000e+00 4.60879e+01 247.641 3.23746e+02 247.641 0.8967 
1 1 1 10 3  15 o 4  5.16117e+02 3.86459e+00 6.22099e+02 246.448 -2.24816e+01 -5.15750e+01 0.00000e+00 0.00000e+00 6.62846e+02 246.448 4.07469e+01 246.448 0.9911 
1 1 1 10 3  16 o 3  3.47640e+02 3.36270e+00 3.07921e+02 29.315  1.60271e+01  8.99955e+00  0.00000e+00 0.00000e+00 5.40141e+02 29.315  2.32220e+02 29.315  0.9724 
1 1 1 10 3  17 o 11 6.91085e+02 5.26009e+00 1.07429e+03 16.872  1.18970e+02  3.60825e+01  0.00000e+00 0.00000e+00 6.49992e+02 16.872  4.24301e+02 196.872 0.9960 
1 1 1 10 3  18 f 0  1.42789e+02 4.22125e+00 2.38798e+02 282.448 1.03654e+00  -4.69578e+00 0.00000e+00 0.00000e+00 7.86357e+01 282.448 1.60162e+02 102.448 0.8888 
1 1 1 10 3  19 o 16 3.70480e+02 3.35498e+00 4.27116e+02 35.719  2.16973e+01  1.56020e+01  0.00000e+00 0.00000e+00 4.80632e+02 35.719  5.35163e+01 35.719  0.9811 
1 1 1 10 3  20 o 16 3.88052e+02 3.47558e+00 4.79880e+02 131.145 -2.02136e+01 2.31343e+01  0.00000e+00 0.00000e+00 4.71722e+02 131.145 8.15755e+00 311.145 0.9836 
1 1 1 10 3  21 o 15 1.39159e+02 3.96952e+00 1.18306e+02 332.355 1.99430e+00  -1.04460e+00 0.00000e+00 0.00000e+00 1.36255e+02 332.355 1.79490e+01 332.355 0.7350 
1 1 1 10 3  22 o 7  2.55966e+02 3.28103e+00 3.38574e+02 239.959 -5.78377e+00 -1.00013e+01 0.00000e+00 0.00000e+00 2.69111e+02 239.959 6.94631e+01 59.959  0.9557 
1 1 1 10 3  23 o 8  1.30394e+02 4.30910e+00 1.30306e+02 140.910 -2.26415e+00 1.83935e+00  0.00000e+00 0.00000e+00 1.29512e+02 140.910 7.94024e-01 320.910 0.8037 
1 1 1 10 3  24 o 7  5.70903e+02 4.31630e+00 7.31207e+02 217.089 -5.34376e+01 -4.03981e+01 0.00000e+00 0.00000e+00 6.70803e+02 217.089 6.04038e+01 37.089  0.9925 
1 1 1 10 3  25 o 19 5.35562e+02 4.14056e+00 6.96864e+02 155.984 -5.31327e+01 2.36739e+01  0.00000e+00 0.00000e+00 6.14072e+02 155.984 8.27922e+01 335.984 0.9914 
1 1 1 10 3  26 o 12 2.90179e+02 3.22416e+00 2.51962e+02 343.013 1.31555e+01  -4.01865e+00 0.00000e+00 0.00000e+00 4.36446e+02 343.013 1.84484e+02 343.013 0.9629 
1 1 1 10 3  27 o 16 1.28759e+02 4.33471e+00 6.33064e+01 49.233  1.10521e+00  1.28188e+00  0.00000e+00 0.00000e+00 1.39330e+02 49.233  7.60235e+01 49.233  0.6403 
1 1 1 10 3  28 o 3  1.61166e+02 3.83463e+00 2.83394e+02 312.152 6.24123e+00  -6.89471e+00 0.00000e+00 0.00000e+00 8.99243e+01 312.152 1.93470e+02 132.152 0.9446 
1 1 1 10 3  29 o 2  5.01627e+02 4.40283e+00 4.85076e+02 267.078 -2.61849e+00 -5.13026e+01 0.00000e+00 0.00000e+00 7.29996e+02 267.078 2.44919e+02 267.078 0.9902 
1 1 1 10 3  30 o 3  4.22492e+02 3.90243e+00 6.12814e+02 156.281 -5.40957e+01 2.37676e+01  0.00000e+00 0.00000e+00 4.09293e+02 156.281 2.03520e+02 336.281 0.9915 
1 1 1 10 3  31 o 2  4.88698e+02 3.99506e+00 5.65851e+02 118.098 -2.88613e+01 5.40565e+01  0.00000e+00 0.00000e+00 6.13681e+02 118.098 4.78298e+01 118.098 0.9918 
1 1 1 10 3  32 o 10 2.38301e+02 3.44486e+00 2.97721e+02 42.137  1.21237e+01  1.09688e+01  0.00000e+00 0.00000e+00 2.62648e+02 42.137  3.50726e+01 222.137 0.9689 
1 1 1 10 3  33 o 8  1.77238e+02 4.57907e+00 7.01367e+01 323.378 2.54654e+00  -1.89275e+00 0.00000e+00 0.00000e+00 2.82455e+02 323.378 2.12318e+02 323.378 0.8220 
1 1 1 10 3  35 o 1  2.17443e+02 3.81397e+00 2.31944e+02 147.546 -1.28172e+01 8.15100e+00  0.00000e+00 0.00000e+00 2.73701e+02 147.546 4.17569e+01 147.546 0.9665 
1 1 1 10 3  36 o 14 3.77926e+02 3.40927e+00 4.35958e+02 53.055  3.42107e+01  4.54894e+01  0.00000e+00 0.00000e+00 4.62554e+02 53.055  2.65963e+01 53.055  0.9912 
1 1 1 10 3  37 o 11 3.02693e+02 4.85028e+00 4.22476e+02 146.353 -3.95972e+01 2.63547e+01  0.00000e+00 0.00000e+00 2.93645e+02 146.353 1.28831e+02 326.353 0.9894 
1 1 1 10 3  38 o 6  5.06141e+01 9.83443e+00 5.98929e+01 180.974 -1.16056e+00 -1.97400e-02 0.00000e+00 0.00000e+00 4.77535e-01 180.974 5.94154e+01 0.974   0.5004 
1 1 1 10 3  39 o 1  1.30482e+02 4.58625e+00 5.93435e+01 111.450 -1.26406e+00 3.21730e+00  0.00000e+00 0.00000e+00 2.00651e+02 111.450 1.41308e+02 111.450 0.8388 
1 1 1 10 3  40 o 6  2.02157e+02 3.52184e+00 3.00105e+02 216.519 -2.12936e+01 -1.57672e+01 0.00000e+00 0.00000e+00 1.69360e+02 216.519 1.30745e+02 36.519  0.9809 
1 1 1 10 3  41 o 17 2.79304e+02 4.06385e+00 3.37904e+02 297.802 1.89647e+01  -3.59663e+01 0.00000e+00 0.00000e+00 3.12859e+02 297.802 2.50449e+01 117.802 0.9876 
1 1 1 10 3  42 o 3  1.26719e+02 4.46516e+00 9.73881e+01 246.655 -2.31527e+00 -5.36444e+00 0.00000e+00 0.00000e+00 1.73636e+02 246.655 7.62482e+01 246.655 0.9098 
1 1 1 10 3  43 o 2  2.50027e+02 3.46946e+00 2.71683e+02 337.045 3.15177e+01  -1.33493e+01 0.00000e+00 0.00000e+00 3.05287e+02 337.045 3.36040e+01 337.045 0.9853 
1 1 1 10 3  44 o 17 2.54866e+02 3.44522e+00 2.30825e+02 270.650 4.44914e-01  -3.92347e+01 0.00000e+00 0.00000e+00 3.56234e+02 270.650 1.25408e+02 270.650 0.9872 
1 1 1 10 3  45 o 6  6.97359e+01 6.78217e+00 1.24456e+02 36.900  4.61125e+00  3.46227e+00  0.00000e+00 0.00000e+00 2.28168e+01 36.900  1.01639e+02 216.900 0.9086 
1 1 1 10 3  46 o 7  2.80729e+02 3.55123e+00 2.84136e+02 56.884  3.03184e+01  4.64803e+01  0.00000e+00 0.00000e+00 3.59947e+02 56.884  7.58116e+01 56.884  0.9909 
1 1 1 10 3  47 o 11 1.34125e+02 4.47523e+00 1.25599e+02 285.759 3.40413e+00  -1.20632e+01 0.00000e+00 0.00000e+00 1.71088e+02 285.759 4.54883e+01 285.759 0.9592 
1 1 1 10 3  48 o 12 2.08076e+02 3.72503e+00 2.07897e+02 46.701  2.10178e+01  2.23043e+01  0.00000e+00 0.00000e+00 2.62106e+02 46.701  5.42090e+01 46.701  0.9835 
1 1 1 10 3  49 o 11 3.57156e+01 9.50013e+00 4.26089e+01 99.338  -1.83659e-01 1.11693e+00  0.00000e+00 0.00000e+00 2.48814e+00 279.338 4.50970e+01 279.338 0.4912 
1 1 1 10 3  50 o 3  4.93787e+01 1.07025e+01 7.69786e+01 253.094 -9.74856e-01 -3.20741e+00 0.00000e+00 0.00000e+00 1.66902e+01 253.094 6.02884e+01 73.094  0.8330 
1 1 1 10 3  51 o 15 3.87750e+01 1.01452e+01 3.20703e+01 67.487  4.18874e-01  1.01059e+00  0.00000e+00 0.00000e+00 1.00146e+01 67.487  2.20558e+01 247.487 0.4787 
1 1 1 10 3  52 o 13 4.61913e+01 1.03336e+01 5.28302e+01 173.954 -2.44768e+00 2.59263e-01  0.00000e+00 0.00000e+00 2.64892e+01 173.954 2.63410e+01 353.954 0.7607 
1 1 1 10 3  54 o 4  4.24245e+01 1.02046e+01 5.93985e+01 224.357 -2.21018e+00 -2.16115e+00 0.00000e+00 0.00000e+00 1.80821e+01 224.357 4.13164e+01 44.357  0.8165 
1 1 1 10 3  55 o 19 5.00811e+01 1.06275e+01 9.56725e+01 127.682 -3.34967e+00 4.33673e+00  0.00000e+00 0.00000e+00 5.05450e+00 127.682 9.06180e+01 307.682 0.9034 
1 1 1 10 3  56 o 1  1.26388e+02 5.27208e+00 1.02546e+02 356.558 1.82320e+01  -1.09642e+00 0.00000e+00 0.00000e+00 1.69705e+02 356.558 6.71598e+01 356.558 0.9722 
1 1 1 10 3  57 o 7  7.22307e+01 7.82535e+00 8.17064e+01 235.205 -5.00464e+00 -7.20203e+00 0.00000e+00 0.00000e+00 6.81763e+01 235.205 1.35301e+01 55.205  0.9411 
1 1 1 10 3  58 o 9  8.40057e+01 6.48470e+00 1.27837e+02 225.348 -1.12890e+01 -1.14270e+01 0.00000e+00 0.00000e+00 5.06340e+01 225.348 7.72027e+01 45.348  0.9684 
1 1 1 10 3  59 o 6  4.15630e+01 9.53900e+00 3.54387e+01 272.078 8.29243e-02  -2.28562e+00 0.00000e+00 0.00000e+00 3.16741e+01 272.078 3.76457e+00 92.078  0.7397 
1 1 1 10 3  60 o 13 5.05927e+01 8.33368e+00 5.20943e+01 171.714 -4.57305e+00 6.66008e-01  0.00000e+00 0.00000e+00 4.50102e+01 171.714 7.08410e+00 351.714 0.8838 
1 1 1 10 3  61 o 10 6.65477e+01 1.07403e+01 4.79404e+01 332.766 4.85373e+00  -2.49814e+00 0.00000e+00 0.00000e+00 8.18896e+01 332.766 3.39492e+01 332.766 0.9030 
1 1 1 10 3  62 o 7  8.66517e+01 8.79129e+00 8.96585e+01 128.895 -1.00410e+01 1.24463e+01  0.00000e+00 0.00000e+00 9.06342e+01 128.895 9.75650e-01 128.895 0.9682 
1 1 1 10 3  63 o 7  4.73607e+01 1.05387e+01 7.73160e+01 252.269 -2.29631e+00 -7.18171e+00 0.00000e+00 0.00000e+00 1.69397e+01 252.269 6.03763e+01 72.269  0.9311 
1 1 1 10 3  64 o 8  5.46334e+01 1.08487e+01 7.35763e+01 282.844 1.83042e+00  -8.02815e+00 0.00000e+00 0.00000e+00 3.52611e+01 282.844 3.83152e+01 102.844 0.9372 
1 1 1 10 4  0  o 6  3.08987e+02 4.55097e+00 4.91602e+02 180.000 -1.29655e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.92944e+02 180.000 1.98658e+02 0.000   1.0000 
1 1 1 10 4  1  o 10 1.41063e+02 3.36350e+00 7.92046e+01 103.612 -4.48499e-01 1.85218e+00  0.00000e+00 0.00000e+00 1.64938e+02 103.612 8.57330e+01 103.612 0.6817 
1 1 1 10 4  2  o 5  2.86884e+02 2.88194e+00 3.86632e+02 19.993  1.77561e+01  6.46007e+00  0.00000e+00 0.00000e+00 3.22124e+02 19.993  6.45078e+01 199.993 0.9732 
1 1 1 10 4  3  o 7  1.89160e+02 2.99824e+00 2.03699e+02 196.574 -6.27002e+00 -1.86612e+00 0.00000e+00 0.00000e+00 2.38014e+02 196.574 3.43153e+01 196.574 0.9200 
1 1 1 10 4  4  o 4  2.14653e+02 3.34926e+00 1.69375e+02 352.415 6.08867e+00  -8.10763e-01 0.00000e+00 0.00000e+00 3.28714e+02 352.415 1.59338e+02 352.415 0.9145 
1 1 1 10 4  5  o 16 1.81315e+02 3.22312e+00 2.56380e+02 251.571 -2.46940e+00 -7.41058e+00 0.00000e+00 0.00000e+00 1.72964e+02 251.571 8.34161e+01 71.571  0.9336 
1 1 1 10 4  6  o 12 8.06198e+01 5.59689e+00 5.96630e+01 110.848 -2.84462e-01 7.46971e-01  0.00000e+00 0.00000e+00 1.61217e+01 110.848 4.35413e+01 290.848 0.3708 
1 1 1 10 4  7  o 13 1.82329e+02 3.05085e+00 3.18243e+02 34.378  7.74869e+00  5.30130e+00  0.00000e+00 0.00000e+00 1.18385e+02 34.378  1.99858e+02 214.378 0.9451 
1 1 1 10 4  8  o 7  4.03760e+02 3.29189e+00 6.02145e+02 50.247  2.49028e+01  2.99387e+01  0.00000e+00 0.00000e+00 4.06999e+02 50.247  1.95146e+02 230.246 0.9871 
1 1 1 10 4  9  o 10 2.12593e+02 3.05430e+00 4.12482e+02 337.656 1.28553e+01  -5.28394e+00 0.00000e+00 0.00000e+00 1.05699e+02 337.656 3.06783e+02 157.656 0.9633 
1 1 1 10 4  10 o 15 4.06808e+02 3.61374e+00 6.64828e+02 201.305 -3.94420e+01 -1.53817e+01 0.00000e+00 0.00000e+00 3.51428e+02 201.305 3.13400e+02 21.305  0.9881 
1 1 1 10 4  11 o 8  3.09862e+02 3.12214e+00 4.19551e+02 6.148   2.39215e+01  2.57690e+00  0.00000e+00 0.00000e+00 3.46679e+02 6.148   7.28723e+01 186.148 0.9790 
1 1 1 10 4  12 o 19 6.32830e+02 4.46636e+00 7.83339e+02 162.551 -8.60265e+01 2.70396e+01  0.00000e+00 0.00000e+00 8.04644e+02 162.551 2.13047e+01 162.551 0.9944 
1 1 1 10 4  13 o 17 3.45857e+02 3.44894e+00 5.17987e+02 115.177 -1.36733e+01 2.90880e+01  0.00000e+00 0.00000e+00 3.40126e+02 115.177 1.77862e+02 295.177 0.9843 
1 1 1 10 4  14 o 2  4.02894e+02 3.74116e+00 4.35411e+02 279.831 5.20402e+00  -3.00299e+01 0.00000e+00 0.00000e+00 5.62177e+02 279.831 1.26766e+02 279.831 0.9835 
1 1 1 10 4  15 o 11 1.38520e+02 4.09135e+00 3.38927e+02 338.478 7.43795e+00  -2.93320e+00 0.00000e+00 0.00000e+00 1.31823e+01 158.478 3.52109e+02 158.478 0.9352 
1 1 1 10 4  16 o 7  4.05004e+01 9.87442e+00 9.89165e+01 189.398 -5.58911e-01 -9.25081e-02 0.00000e+00 0.00000e+00 7.12050e+01 9.398   1.70121e+02 9.398   0.2725 
1 1 1 10 4  17 o 16 1.69267e+02 3.76648e+00 3.06553e+02 2.253   7.28746e+00  2.86671e-01  0.00000e+00 0.00000e+00 8.76281e+01 2.253   2.18925e+02 182.253 0.9287 
1 1 1 10 4  18 f 0  4.48080e+02 3.58898e+00 6.22860e+02 96.648  -5.44117e+00 4.66825e+01  0.00000e+00 0.00000e+00 4.87064e+02 96.648  1.35797e+02 276.648 0.9893 
1 1 1 10 4  19 o 6  2.69005e+02 3.13541e+00 3.56791e+02 258.650 -3.11384e+00 -1.55128e+01 0.00000e+00 0.00000e+00 2.94073e+02 258.650 6.27180e+01 78.650  0.9679 
1 1 1 10 4  20 o 4  1.80863e+02 3.62146e+00 3.32192e+02 144.135 -6.65973e+00 4.81463e+00  0.00000e+00 0.00000e+00 9.07525e+01 144.135 2.41439e+02 324.135 0.9370 
1 1 1 10 4  21 o 14 2.09665e+02 3.56887e+00 3.80475e+02 276.600 1.22333e+00  -1.05721e+01 0.00000e+00 0.00000e+00 1.16671e+02 276.600 2.63804e+02 96.600  0.9518 
1 1 1 10 4  22 o 10 6.84828e+01 6.89924e+00 1.31939e+02 345.965 1.49904e+00  -3.74730e-01 0.00000e+00 0.00000e+00 2.85545e+01 165.965 1.60493e+02 165.965 0.6071 
1 1 1 10 4  23 o 18 6.38308e+02 4.52556e+00 7.19330e+02 112.619 -2.84263e+01 6.82274e+01  0.00000e+00 0.00000e+00 8.54074e+02 112.619 1.34744e+02 112.619 0.9932 
1 1 1 10 4  24 o 9  1.80571e+02 3.37104e+00 1.83351e+02 334.795 4.69587e+00  -2.21024e+00 0.00000e+00 0.00000e+00 2.18092e+02 334.795 3.47414e+01 334.795 0.8976 
1 1 1 10 4  25 o 1  1.95004e+02 3.69775e+00 2.60557e+02 65.869  3.92777e+00  8.76783e+00  0.00000e+00 0.00000e+00 1.95585e+02 65.869  6.49719e+01 245.869 0.9464 
1 1 1 10 4  26 o 8  1.65038e+02 4.07209e+00 4.06853e+00 346.543 1.36550e-01  -3.26748e-02 0.00000e+00 0.00000e+00 2.44340e+01 346.543 2.03654e+01 346.543 0.0700 
1 1 1 10 4  27 o 11 4.84824e+02 4.06774e+00 5.74686e+02 325.209 4.69337e+01  -3.26084e+01 0.00000e+00 0.00000e+00 6.07734e+02 325.209 3.30486e+01 325.209 0.9912 
1 1 1 10 4  28 o 18 1.71671e+02 4.21619e+00 2.02439e+02 18.011  7.03955e+00  2.28872e+00  0.00000e+00 0.00000e+00 1.89359e+02 18.011  1.30802e+01 198.011 0.9298 
1 1 1 10 4  29 o 1  3.21951e+02 3.33907e+00 3.56931e+02 150.005 -2.06344e+01 1.19111e+01  0.00000e+00 0.00000e+00 4.14681e+02 150.005 5.77497e+01 150.005 0.9788 
1 1 1 10 4  30 o 16 1.73101e+02 4.28280e+00 1.89566e+02 179.716 -7.33979e+00 3.64226e-02  0.00000e+00 0.00000e+00 2.03259e+02 179.716 1.36930e+01 179.716 0.9291 
1 1 1 10 4  31 o 13 3.18718e+02 3.34487e+00 3.36537e+02 287.202 7.39415e+00  -2.38832e+01 0.00000e+00 0.00000e+00 4.24165e+02 287.202 8.76277e+01 287.202 0.9798 
1 1 1 10 4  32 o 4  3.44198e+02 3.84937e+00 4.54176e+02 272.448 1.72769e+00  -4.04143e+01 0.00000e+00 0.00000e+00 3.71608e+02 272.448 8.25676e+01 92.448  0.9876 
1 1 1 10 4  34 o 5  2.05534e+02 3.62683e+00 2.15151e+02 107.788 -4.12366e+00 1.28528e+01  0.00000e+00 0.00000e+00 2.62573e+02 107.788 4.74212e+01 107.788 0.9622 
1 1 1 10 4  35 o 14 3.39500e+02 3.64547e+00 4.19627e+02 137.975 -3.70252e+01 3.33670e+01  0.00000e+00 0.00000e+00 3.89780e+02 137.975 2.98472e+01 317.975 0.9899 
1 1 1 10 4  36 o 12 4.23049e+02 4.12661e+00 2.96876e+02 63.670  1.81170e+01  3.66094e+01  0.00000e+00 0.00000e+00 7.06369e+02 63.670  4.09492e+02 63.670  0.9877 
1 1 1 10 4  38 o 5  4.44942e+01 1.09986e+01 3.45292e+01 343.510 5.49938e-01  -1.62798e-01 0.00000e+00 0.00000e+00 5.27524e+00 163.510 3.98045e+01 163.510 0.2756 
1 1 1 10 4  39 o 1  2.14755e+02 3.40689e+00 2.30566e+02 322.516 1.73906e+01  -1.33364e+01 0.00000e+00 0.00000e+00 2.68299e+02 322.516 3.77338e+01 322.516 0.9769 
1 1 1 10 4  40 f 0  2.16676e+02 3.42907e+00 1.92855e+02 210.342 -1.58239e+01 -9.26222e+00 0.00000e+00 0.00000e+00 3.06409e+02 210.342 1.13554e+02 210.342 0.9723 
1 1 1 10 4  41 f 0  1.95925e+02 3.92725e+00 1.69505e+02 186.050 -1.59235e+01 -1.68767e+00 0.00000e+00 0.00000e+00 2.78481e+02 186.050 1.08976e+02 186.050 0.9683 
1 1 1 10 4  42 o 4  6.38334e+01 7.67682e+00 1.67486e+01 48.234  3.77543e-01  4.22766e-01  0.00000e+00 0.00000e+00 2.41967e+01 48.234  7.44807e+00 48.234  0.2726 
1 1 1 10 4  43 o 15 5.86059e+01 8.29914e+00 6.87903e+01 154.408 -1.75031e+00 8.38326e-01  0.00000e+00 0.00000e+00 2.57113e+01 154.408 4.30790e+01 334.408 0.6878 
1 1 1 10 4  44 o 14 1.08150e+02 5.22555e+00 9.76712e+01 282.448 1.56031e+00  -7.06852e+00 0.00000e+00 0.00000e+00 1.36770e+02 282.448 3.90985e+01 282.448 0.9281 
1 1 1 10 4  45 o 5  2.52255e+02 3.27302e+00 2.80364e+02 350.225 4.80968e+01  -8.28576e+00 0.00000e+00 0.00000e+00 3.00515e+02 350.225 2.01509e+01 350.225 0.9897 
1 1 1 10 4  46 o 16 1.02647e+02 5.19372e+00 1.24586e+02 328.404 7.40958e+00  -4.55770e+00 0.00000e+00 0.00000e+00 9.91852e+01 328.404 2.54005e+01 148.404 0.9406 
1 1 1 10 4  47 o 13 7.03869e+01 7.11914e+00 5.79366e+01 292.968 1.11336e+00  -2.62696e+00 0.00000e+00 0.00000e+00 7.18018e+01 292.968 1.38653e+01 292.968 0.7985 
1 1 1 10 4  48 o 12 4.70438e+01 8.95765e+00 6.40702e+01 105.829 -6.92682e-01 2.44321e+00  0.00000e+00 0.00000e+00 1.91199e+01 105.829 4.49504e+01 285.829 0.7692 
1 1 1 10 4  49 o 1  1.63824e+02 4.17034e+00 1.91473e+02 144.816 -2.54950e+01 1.79743e+01  0.00000e+00 0.00000e+00 1.77503e+02 144.816 1.39694e+01 324.816 0.9838 
1 1 1 10 4  50 o 6  6.41540e+01 7.96215e+00 8.97802e+01 17.494  5.29800e+00  1.66980e+00  0.00000e+00 0.00000e+00 4.25432e+01 17.494  4.72370e+01 197.494 0.9048 
1 1 1 10 4  51 o 10 4.46113e+01 1.08203e+01 1.19896e+02 100.698 -1.00504e+00 5.32009e+00  0.00000e+00 0.00000e+00 2.85504e+01 280.698 1.48446e+02 280.698 0.9022 
1 1 1 10 4  52 f 0  4.41097e+01 1.09737e+01 3.88671e+01 97.649  -2.41026e-01 1.79479e+00  0.00000e+00 0.00000e+00 2.73267e+01 97.649  1.15404e+01 277.649 0.6641 
1 1 1 10 4  53 o 14 3.22270e+01 9.83632e+00 5.39404e+01 241.406 -1.01657e+00 -1.86498e+00 0.00000e+00 0.00000e+00 1.95624e+00 61.406  5.58966e+01 61.406  0.7171 
1 1 1 10 4  54 o 7  4.34768e+01 1.03377e+01 8.43621e+01 76.828  1.01345e+00  4.33051e+00  0.00000e+00 0.00000e+00 1.18022e+00 76.828  8.31819e+01 256.828 0.8788 
1 1 1 10 4  55 o 6  1.05672e+02 5.70493e+00 9.05216e+01 106.943 -3.78200e+00 1.24148e+01  0.00000e+00 0.00000e+00 1.35702e+02 106.943 4.51805e+01 106.943 0.9607 
1 1 1 10 4  56 o 4  4.23857e+01 1.03988e+01 5.65266e+01 216.323 -2.39883e+00 -1.76360e+00 0.00000e+00 0.00000e+00 1.94566e+01 216.323 3.70700e+01 36.323  0.8083 
1 1 1 10 4  57 o 6  1.69901e+02 4.59297e+00 1.77430e+02 297.440 2.22594e+01  -4.28688e+01 0.00000e+00 0.00000e+00 1.93648e+02 297.440 1.62180e+01 297.440 0.9896 
1 1 1 10 4  58 o 4  1.35845e+02 4.66622e+00 1.31963e+02 312.530 2.17963e+01  -2.37614e+01 0.00000e+00 0.00000e+00 1.61706e+02 312.530 2.97430e+01 312.530 0.9844 
1 1 1 10 4  59 o 14 2.02949e+02 3.96017e+00 1.56668e+02 231.491 -3.54120e+01 -4.45049e+01 0.00000e+00 0.00000e+00 2.82871e+02 231.491 1.26203e+02 231.491 0.9912 
1 1 1 10 4  60 o 12 6.06791e+01 8.93666e+00 6.05006e+01 85.013  5.44973e-01  6.24591e+00  0.00000e+00 0.00000e+00 6.03748e+01 85.013  1.25772e-01 265.013 0.9164 
1 1 1 10 4  61 o 12 5.87539e+01 9.45411e+00 4.44781e+01 317.338 3.62266e+00  -3.33849e+00 0.00000e+00 0.00000e+00 6.88136e+01 317.338 2.43355e+01 317.338 0.8916 
1 1 1 10 4  62 o 13 1.18441e+02 5.97975e+00 1.07114e+02 180.990 -2.86747e+01 -4.95503e-01 0.00000e+00 0.00000e+00 1.43183e+02 180.990 3.60688e+01 180.990 0.9824 
1 1 1 10 4  63 o 15 7.91726e+01 8.69753e+00 9.72903e+01 122.306 -9.55737e+00 1.51147e+01  0.00000e+00 0.00000e+00 6.72968e+01 122.306 2.99935e+01 302.306 0.9716 
1 1 1 10 4  64 o 8  7.15700e+01 8.60067e+00 7.73351e+01 60.912  6.83639e+00  1.22884e+01  0.00000e+00 0.00000e+00 6.94367e+01 60.912  7.89848e+00 240.912 0.9638 
1 1 1 10 5  0  o 8  1.67565e+01 1.13496e+01 4.75818e+01 0.000   6.35944e-02  0.00000e+00  0.00000e+00 0.00000e+00 4.48762e+01 180.000 9.24580e+01 180.000 0.0635 
1 1 1 10 5  1  o 2  5.65563e+02 3.95723e+00 7.03539e+02 193.782 -6.22216e+01 -1.52618e+01 0.00000e+00 0.00000e+00 7.22986e+02 193.782 1.94470e+01 193.782 0.9922 
1 1 1 10 5  2  o 4  1.36531e+02 3.54714e+00 2.54894e+02 307.000 3.36780e+00  -4.46918e+00 0.00000e+00 0.00000e+00 5.93892e+01 307.000 1.95505e+02 127.000 0.9056 
1 1 1 10 5  3  o 11 3.82019e+02 3.17497e+00 4.82257e+02 267.042 -1.52459e+00 -2.95051e+01 0.00000e+00 0.00000e+00 4.72015e+02 267.042 1.02417e+01 87.042  0.9829 
1 1 1 10 5  4  o 16 1.43773e+02 4.11733e+00 2.20788e+02 98.633  -7.59697e-01 5.00351e+00  0.00000e+00 0.00000e+00 1.06044e+02 98.633  1.14744e+02 278.633 0.8948 
1 1 1 10 5  5  o 18 2.75952e+02 4.33829e+00 3.01115e+02 287.792 4.02359e+00  -1.25382e+01 0.00000e+00 0.00000e+00 3.72534e+02 287.792 7.14191e+01 287.792 0.9612 
1 1 1 10 5  6  o 4  5.54122e+02 3.92502e+00 6.88783e+02 283.204 1.37311e+01  -5.85262e+01 0.00000e+00 0.00000e+00 7.06049e+02 283.204 1.72668e+01 283.204 0.9916 
1 1 1 10 5  7  o 1  4.98233e+02 3.65845e+00 6.91195e+02 113.913 -2.18227e+01 4.92158e+01  0.00000e+00 0.00000e+00 5.61014e+02 113.913 1.30181e+02 293.913 0.9907 
1 1 1 10 5  8  o 19 6.95003e+01 5.94480e+00 2.11722e+02 252.794 -8.02610e-01 -2.59179e+00 0.00000e+00 0.00000e+00 7.31662e+01 72.794  2.84888e+02 72.794  0.7863 
1 1 1 10 5  9  o 12 3.17985e+02 3.34383e+00 2.72805e+02 48.806  1.04784e+01  1.19719e+01  0.00000e+00 0.00000e+00 5.07058e+02 48.806  2.34253e+02 48.806  0.9680 
1 1 1 10 5  10 o 8  7.08350e+02 5.23349e+00 9.81176e+02 72.945  3.68021e+01  1.19961e+02  0.00000e+00 0.00000e+00 8.04779e+02 72.945  1.76397e+02 252.945 0.9960 
1 1 1 10 5  11 o 19 4.19298e+02 3.72510e+00 4.73833e+02 277.948 4.84323e+00  -3.46873e+01 0.00000e+00 0.00000e+00 5.71366e+02 277.948 9.75325e+01 277.948 0.9856 
1 1 1 10 5  12 f 0  3.02185e+02 3.35102e+00 4.24428e+02 178.293 -2.22610e+01 6.63453e-01  0.00000e+00 0.00000e+00 3.21729e+02 178.293 1.02700e+02 358.293 0.9773 
1 1 1 10 5  13 o 7  1.02945e+02 5.00643e+00 2.36469e+02 291.648 1.52916e+00  -3.85272e+00 0.00000e+00 0.00000e+00 1.07168e+01 111.648 2.47185e+02 111.648 0.8689 
1 1 1 10 5  14 o 18 1.91651e+02 3.39855e+00 2.33381e+02 217.341 -5.12837e+00 -3.91256e+00 0.00000e+00 0.00000e+00 2.10544e+02 217.341 2.28373e+01 37.341  0.9188 
1 1 1 10 5  15 o 2  7.34807e+01 6.79444e+00 2.28705e+02 340.941 2.23494e+00  -7.72141e-01 0.00000e+00 0.00000e+00 9.00548e+01 160.941 3.18760e+02 160.941 0.7494 
1 1 1 10 5  16 o 16 6.02473e+02 4.36386e+00 7.00305e+02 350.607 7.06423e+01  -1.16856e+01 0.00000e+00 0.00000e+00 8.03950e+02 350.607 1.03646e+02 350.607 0.9930 
1 1 1 10 5  17 o 6  1.50440e+02 3.64094e+00 2.13411e+02 18.566  5.07036e+00  1.70303e+00  0.00000e+00 0.00000e+00 1.26881e+02 18.566  8.65299e+01 198.566 0.9009 
1 1 1 10 5  18 o 14 1.42630e+02 3.72332e+00 2.43165e+02 247.016 -1.87864e+00 -4.42915e+00 0.00000e+00 0.00000e+00 7.46562e+01 247.016 1.68509e+02 67.016  0.8888 
1 1 1 10 5  19 o 9  3.71016e+02 3.71635e+00 4.16429e+02 341.516 1.98672e+01  -6.64140e+00 0.00000e+00 0.00000e+00 4.89800e+02 341.516 7.33714e+01 341.516 0.9758 
1 1 1 10 5  20 o 13 1.15725e+02 4.44481e+00 1.73369e+02 59.921  1.76360e+00  3.04489e+00  0.00000e+00 0.00000e+00 7.01415e+01 59.921  1.03228e+02 239.921 0.8421 
1 1 1 10 5  21 o 15 2.81007e+02 3.23500e+00 3.77931e+02 262.081 -2.50625e+00 -1.80173e+01 0.00000e+00 0.00000e+00 3.03475e+02 262.081 7.44557e+01 82.081  0.9721 
1 1 1 10 5  22 o 6  4.30730e+02 3.65669e+00 5.78161e+02 87.261  1.90899e+00  3.99028e+01  0.00000e+00 0.00000e+00 4.80767e+02 87.261  9.73944e+01 267.261 0.9874 
1 1 1 10 5  23 o 11 1.71181e+02 3.47970e+00 2.59410e+02 98.637  -1.29377e+00 8.51763e+00  0.00000e+00 0.00000e+00 1.40465e+02 98.637  1.18946e+02 278.637 0.9400 
1 1 1 10 5  24 o 5  2.60221e+02 3.45157e+00 2.45790e+02 20.058  1.13405e+01  4.14063e+00  0.00000e+00 0.00000e+00 3.72210e+02 20.058  1.26420e+02 20.058  0.9576 
1 1 1 10 5  25 o 3  3.00783e+02 3.40098e+00 4.10595e+02 211.760 -2.19766e+01 -1.36047e+01 0.00000e+00 0.00000e+00 3.19212e+02 211.760 9.13825e+01 31.760  0.9805 
1 1 1 10 5  26 o 6  3.76667e+02 3.54868e+00 4.60368e+02 276.820 4.22949e+00  -3.53647e+01 0.00000e+00 0.00000e+00 4.56575e+02 276.820 3.79329e+00 96.820  0.9859 
1 1 1 10 5  27 o 16 1.71498e+02 4.14111e+00 1.30151e+02 231.256 -2.98066e+00 -3.71466e+00 0.00000e+00 0.00000e+00 2.44856e+02 231.256 1.14705e+02 231.256 0.8876 
1 1 1 10 5  28 o 2  2.83579e+02 4.04337e+00 3.50128e+02 258.548 -4.09286e+00 -2.02029e+01 0.00000e+00 0.00000e+00 3.29728e+02 258.548 2.03999e+01 78.548  0.9754 
1 1 1 10 5  29 o 18 4.95294e+01 1.08005e+01 1.66080e+02 61.118  8.68481e-01  1.57439e+00  0.00000e+00 0.00000e+00 8.57318e+01 241.118 2.51812e+02 241.118 0.6617 
1 1 1 10 5  30 o 5  1.82318e+02 4.48909e+00 2.09955e+02 47.662  6.02179e+00  6.60913e+00  0.00000e+00 0.00000e+00 2.10183e+02 47.662  2.27370e-01 47.662  0.9423 
1 1 1 10 5  31 o 17 1.90405e+02 3.91878e+00 3.38423e+02 288.981 5.45234e+00  -1.58521e+01 0.00000e+00 0.00000e+00 1.11922e+02 288.981 2.26500e+02 108.981 0.9697 
1 1 1 10 5  32 o 17 1.62629e+02 2.20867e+01 2.33997e+02 68.326  3.27144e+00  8.23177e+00  0.00000e+00 0.00000e+00 1.38547e+02 68.326  9.54496e+01 248.326 0.9417 
1 1 1 10 5  33 o 10 1.24317e+02 4.49268e+00 2.08005e+02 187.158 -7.86731e+00 -9.88007e-01 0.00000e+00 0.00000e+00 7.38357e+01 187.158 1.34170e+02 7.158   0.9346 
1 1 1 10 5  34 o 7  2.49434e+02 3.27359e+00 3.12764e+02 6.305   2.73728e+01  3.02448e+00  0.00000e+00 0.00000e+00 2.79479e+02 6.305   3.32843e+01 186.305 0.9817 
1 1 1 10 5  35 o 10 4.31630e+02 3.54798e+00 4.13307e+02 80.129  1.00513e+01  5.77616e+01  0.00000e+00 0.00000e+00 6.18645e+02 80.129  2.05338e+02 80.129  0.9914 
1 1 1 10 5  37 o 9  1.78380e+02 3.68476e+00 1.12983e+02 334.342 7.19299e+00  -3.45529e+00 0.00000e+00 0.00000e+00 2.86754e+02 334.342 1.73771e+02 334.342 0.9351 
1 1 1 10 5  38 f 0  2.72892e+02 3.25499e+00 2.99120e+02 191.577 -3.57726e+01 -7.32787e+00 0.00000e+00 0.00000e+00 3.43779e+02 191.577 4.46591e+01 191.577 0.9862 
1 1 1 10 5  39 o 1  2.72980e+02 4.07857e+00 3.78287e+02 230.932 -2.82717e+01 -3.48284e+01 0.00000e+00 0.00000e+00 2.64363e+02 230.932 1.13924e+02 50.932  0.9888 
1 1 1 10 5  40 f 0  1.85977e+02 4.01681e+00 1.12572e+02 148.602 -8.71093e+00 5.31684e+00  0.00000e+00 0.00000e+00 3.06501e+02 148.602 1.93928e+02 148.602 0.9497 
1 1 1 10 5  41 o 18 8.92199e+01 6.82179e+00 5.42263e+01 90.378  -1.72717e-02 2.61463e+00  0.00000e+00 0.00000e+00 1.09673e+02 90.378  5.54470e+01 90.378  0.7769 
1 1 1 10 5  42 o 16 2.20447e+02 4.02415e+00 2.18555e+02 316.618 1.75941e+01  -1.66273e+01 0.00000e+00 0.00000e+00 2.89989e+02 316.618 7.14338e+01 316.618 0.9791 
1 1 1 10 5  43 o 6  1.86032e+02 4.25299e+00 1.77321e+02 252.994 -6.40850e+00 -2.09540e+01 0.00000e+00 0.00000e+00 2.49293e+02 252.994 7.19718e+01 252.994 0.9769 
1 1 1 10 5  44 o 9  1.24775e+02 5.47825e+00 1.87942e+02 216.365 -1.29969e+01 -9.56979e+00 0.00000e+00 0.00000e+00 9.46715e+01 216.365 9.32709e+01 36.365  0.9685 
1 1 1 10 5  45 o 18 1.19229e+02 5.48595e+00 1.26202e+02 6.067   1.02874e+01  1.09333e+00  0.00000e+00 0.00000e+00 1.37778e+02 6.067   1.15765e+01 6.067   0.9504 
1 1 1 10 5  46 f 0  1.05276e+02 5.84848e+00 1.35425e+02 44.072  7.55029e+00  7.30961e+00  0.00000e+00 0.00000e+00 9.69432e+01 44.072  3.84823e+01 224.072 0.9512 
1 1 1 10 5  47 o 13 1.40891e+02 4.77207e+00 1.08589e+02 59.126  7.10078e+00  1.18770e+01  0.00000e+00 0.00000e+00 2.05052e+02 59.126  9.64629e+01 59.126  0.9632 
1 1 1 10 5  48 o 15 4.52141e+01 9.73836e+00 6.97267e+01 11.818  2.29423e+00  4.80049e-01  0.00000e+00 0.00000e+00 8.00618e+00 11.818  6.17205e+01 191.818 0.7469 
1 1 1 10 5  49 o 9  1.18139e+02 5.64242e+00 1.19049e+02 80.594  2.22098e+00  1.34068e+01  0.00000e+00 0.00000e+00 1.41587e+02 80.594  2.25385e+01 80.594  0.9625 
1 1 1 10 5  50 o 4  6.98409e+01 7.16667e+00 6.03013e+01 305.254 2.26547e+00  -3.20514e+00 0.00000e+00 0.00000e+00 7.68803e+01 305.254 1.65790e+01 305.254 0.8606 
1 1 1 10 5  51 o 2  5.35129e+01 9.19038e+00 5.90156e+01 222.548 -2.41965e+00 -2.22097e+00 0.00000e+00 0.00000e+00 4.17976e+01 222.548 1.72180e+01 42.548  0.8290 
1 1 1 10 5  53 o 13 6.40355e+01 6.69862e+00 1.10135e+02 336.257 8.67404e+00  -3.81543e+00 0.00000e+00 0.00000e+00 2.62504e+01 336.257 8.38844e+01 156.257 0.9457 
1 1 1 10 5  54 o 3  1.27987e+02 4.64108e+00 1.32808e+02 108.852 -7.16049e+00 2.09715e+01  0.00000e+00 0.00000e+00 1.47568e+02 108.852 1.47595e+01 108.852 0.9772 
1 1 1 10 5  55 f 0  8.11434e+01 6.51988e+00 7.56454e+01 113.746 -3.42991e+00 7.79641e+00  0.00000e+00 0.00000e+00 9.44254e+01 113.746 1.87800e+01 113.746 0.9393 
1 1 1 10 5  56 o 8  5.72402e+01 9.03464e+00 3.84851e+01 267.869 -1.18594e-01 -3.18660e+00 0.00000e+00 0.00000e+00 6.61311e+01 267.869 2.76460e+01 267.869 0.8230 
1 1 1 10 5  57 o 12 7.93580e+01 8.07482e+00 8.16733e+01 197.039 -8.99690e+00 -2.75738e+00 0.00000e+00 0.00000e+00 8.40995e+01 197.039 2.42623e+00 197.039 0.9453 
1 1 1 10 5  58 o 2  8.12629e+01 9.12968e+00 8.93513e+01 213.286 -9.61717e+00 -6.31386e+00 0.00000e+00 0.00000e+00 8.13882e+01 213.286 7.96310e+00 33.286  0.9555 
1 1 1 10 5  59 o 14 4.83229e+01 1.06662e+01 2.55114e+01 167.151 -1.78853e+00 4.07949e-01  0.00000e+00 0.00000e+00 4.51785e+01 167.151 1.96671e+01 167.151 0.6686 
1 1 1 10 5  60 o 3  3.36283e+01 1.02090e+01 2.48727e+01 184.729 -1.46633e+00 -1.21302e-01 0.00000e+00 0.00000e+00 1.82381e+01 184.729 6.63464e+00 4.729   0.5890 
1 1 1 10 5  61 o 17 4.97811e+01 1.06081e+01 4.76184e+01 209.045 -3.98311e+00 -2.21197e+00 0.00000e+00 0.00000e+00 4.74499e+01 209.045 1.68479e-01 29.045  0.8820 
1 1 1 10 5  62 o 16 3.83810e+01 1.02415e+01 7.09642e+01 91.572  -1.57008e-01 5.72168e+00  0.00000e+00 0.00000e+00 4.08496e+00 91.572  6.68792e+01 271.572 0.9078 
1 1 1 10 5  63 o 19 1.07697e+02 5.22756e+00 9.35276e+01 15.570  2.49946e+01  6.96442e+00  0.00000e+00 0.00000e+00 1.32700e+02 15.570  3.91723e+01 15.570  0.9805 
1 1 1 10 6  0  o 7  3.23760e+02 4.23071e+00 5.07575e+02 180.000 -1.52312e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.16822e+02 180.000 1.90754e+02 0.000   1.0000 
1 1 1 10 6  1  o 1  4.52019e+02 3.43514e+00 4.02431e+02 39.532  2.59728e+01  2.14350e+01  0.00000e+00 0.00000e+00 7.31285e+02 39.532  3.28854e+02 39.532  0.9850 
1 1 1 10 6  2  o 3  3.12904e+02 3.22016e+00 3.73358e+02 116.378 -9.59346e+00 1.93445e+01  0.00000e+00 0.00000e+00 4.04588e+02 116.378 3.12303e+01 116.378 0.9766 
1 1 1 10 6  3  o 7  3.63191e+02 3.65311e+00 4.37062e+02 138.298 -2.18195e+01 1.94421e+01  0.00000e+00 0.00000e+00 4.71423e+02 138.298 3.43614e+01 138.298 0.9827 
1 1 1 10 6  4  o 14 5.47445e+02 4.30321e+00 7.55111e+02 268.757 -1.64207e+00 -7.56596e+01 0.00000e+00 0.00000e+00 6.28664e+02 268.757 1.26448e+02 88.757  0.9934 
1 1 1 10 6  5  o 4  5.60761e+02 4.63025e+00 7.32657e+02 196.489 -7.16639e+01 -2.12135e+01 0.00000e+00 0.00000e+00 6.84106e+02 196.489 4.85516e+01 16.490  0.9933 
1 1 1 10 6  6  o 5  3.55693e+02 3.61491e+00 5.45664e+02 170.526 -3.46550e+01 5.78335e+00  0.00000e+00 0.00000e+00 3.45674e+02 170.526 1.99990e+02 350.526 0.9857 
1 1 1 10 6  7  o 8  4.43101e+02 4.00481e+00 5.73585e+02 226.578 -3.09148e+01 -3.26663e+01 0.00000e+00 0.00000e+00 5.39723e+02 226.578 3.38615e+01 46.578  0.9888 
1 1 1 10 6  8  o 8  7.46553e+02 5.75377e+00 9.56824e+02 32.669  1.04926e+02  6.72805e+01  0.00000e+00 0.00000e+00 9.31277e+02 32.669  2.55468e+01 212.669 0.9960 
1 1 1 10 6  9  o 17 1.53657e+02 4.15934e+00 1.36747e+02 37.553  2.88385e+00  2.21711e+00  0.00000e+00 0.00000e+00 1.93877e+02 37.553  5.71292e+01 37.553  0.8480 
1 1 1 10 6  10 o 15 4.79445e+02 3.75267e+00 6.53631e+02 218.813 -4.17761e+01 -3.36048e+01 0.00000e+00 0.00000e+00 5.50545e+02 218.813 1.03086e+02 38.813  0.9906 
1 1 1 10 6  11 o 13 2.08995e+02 3.14595e+00 4.03922e+02 41.308  9.20548e+00  8.08955e+00  0.00000e+00 0.00000e+00 1.03394e+02 41.308  3.00528e+02 221.308 0.9583 
1 1 1 10 6  12 o 13 4.84434e+02 4.03306e+00 6.86436e+02 333.569 4.25452e+01  -2.11481e+01 0.00000e+00 0.00000e+00 5.26478e+02 333.569 1.59958e+02 153.569 0.9894 
1 1 1 10 6  13 o 14 3.40492e+02 3.38328e+00 3.03450e+02 185.006 -1.44900e+01 -1.26932e+00 0.00000e+00 0.00000e+00 5.27121e+02 185.006 2.23671e+02 185.006 0.9650 
1 1 1 10 6  14 o 14 4.23426e+02 3.48167e+00 5.23013e+02 17.429  3.58074e+01  1.12414e+01  0.00000e+00 0.00000e+00 5.31747e+02 17.429  8.73386e+00 17.429  0.9866 
1 1 1 10 6  15 o 9  2.34463e+02 3.06849e+00 3.56894e+02 292.582 5.35592e+00  -1.28780e+01 0.00000e+00 0.00000e+00 2.12751e+02 292.582 1.44143e+02 112.582 0.9635 
1 1 1 10 6  16 o 18 4.14969e+02 3.37242e+00 6.47308e+02 252.592 -1.11729e+01 -3.56361e+01 0.00000e+00 0.00000e+00 3.83642e+02 252.592 2.63666e+02 72.592  0.9865 
1 1 1 10 6  17 o 15 3.56526e+02 3.20052e+00 3.54539e+02 218.400 -1.34979e+01 -1.06985e+01 0.00000e+00 0.00000e+00 5.15614e+02 218.400 1.61075e+02 218.400 0.9705 
1 1 1 10 6  18 o 6  2.21341e+02 3.20433e+00 2.53493e+02 189.539 -9.79200e+00 -1.64543e+00 0.00000e+00 0.00000e+00 2.73513e+02 189.539 2.00195e+01 189.539 0.9482 
1 1 1 10 6  19 o 15 1.69796e+02 3.53989e+00 2.42401e+02 80.664  1.15385e+00  7.01845e+00  0.00000e+00 0.00000e+00 1.52100e+02 80.664  9.03012e+01 260.664 0.9268 
1 1 1 10 6  20 o 19 2.56199e+02 3.85594e+00 2.73128e+02 206.500 -1.01604e+01 -5.06588e+00 0.00000e+00 0.00000e+00 3.39152e+02 206.500 6.60239e+01 206.500 0.9549 
1 1 1 10 6  21 o 4  2.28123e+02 3.96265e+00 1.50325e+02 351.695 5.37029e+00  -7.83939e-01 0.00000e+00 0.00000e+00 3.63996e+02 351.695 2.13671e+02 351.695 0.9024 
1 1 1 10 6  22 f 0  3.91488e+02 3.76862e+00 3.01008e+02 46.250  1.56207e+01  1.63176e+01  0.00000e+00 0.00000e+00 6.53390e+02 46.250  3.52382e+02 46.250  0.9776 
1 1 1 10 6  23 o 13 3.49092e+02 3.58007e+00 3.90164e+02 323.987 2.34374e+01  -1.70364e+01 0.00000e+00 0.00000e+00 4.63555e+02 323.987 7.33907e+01 323.987 0.9826 
1 1 1 10 6  24 o 5  1.92574e+02 3.86541e+00 3.30493e+02 347.978 1.29230e+01  -2.75203e+00 0.00000e+00 0.00000e+00 1.29355e+02 347.978 2.01138e+02 167.978 0.9614 
1 1 1 10 6  25 o 11 2.07260e+02 3.61932e+00 6.54143e+01 168.054 -2.70512e+00 5.72331e-01  0.00000e+00 0.00000e+00 3.40928e+02 168.054 2.75514e+02 168.054 0.7910 
1 1 1 10 6  26 o 9  3.94515e+02 3.52572e+00 3.80196e+02 210.150 -2.75650e+01 -1.60109e+01 0.00000e+00 0.00000e+00 5.80067e+02 210.150 1.99871e+02 210.150 0.9842 
1 1 1 10 6  27 f 0  3.26038e+02 3.30167e+00 2.92953e+02 87.724  8.73711e-01  2.19833e+01  0.00000e+00 0.00000e+00 4.93042e+02 87.724  2.00089e+02 87.724  0.9770 
1 1 1 10 6  28 o 3  3.71951e+01 9.58507e+00 8.47966e+01 358.529 6.91911e-01  -1.77713e-02 0.00000e+00 0.00000e+00 5.48676e+01 178.529 1.39664e+02 178.529 0.3269 
1 1 1 10 6  29 o 9  1.25129e+02 4.81613e+00 1.20857e+02 231.093 -2.21221e+00 -2.74090e+00 0.00000e+00 0.00000e+00 1.37942e+02 231.093 1.70852e+01 231.093 0.8423 
1 1 1 10 6  30 o 7  2.77987e+02 3.61250e+00 2.85230e+02 38.208  1.62081e+01  1.27583e+01  0.00000e+00 0.00000e+00 3.78944e+02 38.208  9.37137e+01 38.208  0.9755 
1 1 1 10 6  32 o 1  1.10287e+02 5.10792e+00 1.00273e+02 331.240 2.97013e+00  -1.63012e+00 0.00000e+00 0.00000e+00 1.24093e+02 331.240 2.38201e+01 331.240 0.8350 
1 1 1 10 6  33 o 18 1.46980e+02 4.54825e+00 1.42526e+02 89.803  2.53958e-02  7.38052e+00  0.00000e+00 0.00000e+00 1.89401e+02 89.803  4.68755e+01 89.803  0.9296 
1 1 1 10 6  34 o 18 9.62020e+01 6.07855e+00 1.39189e+02 23.109  4.02133e+00  1.71596e+00  0.00000e+00 0.00000e+00 6.50630e+01 23.109  7.41264e+01 203.109 0.8764 
1 1 1 10 6  36 o 5  2.55377e+02 3.61096e+00 2.60820e+02 35.074  2.16939e+01  1.52320e+01  0.00000e+00 0.00000e+00 3.42383e+02 35.074  8.15626e+01 35.074  0.9810 
1 1 1 10 6  37 o 2  1.09487e+02 4.97169e+00 2.67018e+02 159.514 -1.22256e+01 4.56762e+00  0.00000e+00 0.00000e+00 1.44949e+01 339.514 2.81513e+02 339.514 0.9609 
1 1 1 10 6  38 o 5  2.35427e+02 3.21956e+00 3.07101e+02 231.289 -1.98309e+01 -2.47430e+01 0.00000e+00 0.00000e+00 2.47216e+02 231.289 5.98855e+01 51.289  0.9841 
1 1 1 10 6  39 o 16 2.25420e+02 3.42853e+00 2.21055e+02 52.610  1.31299e+01  1.71796e+01  0.00000e+00 0.00000e+00 3.03904e+02 52.610  8.28487e+01 52.610  0.9766 
1 1 1 10 6  40 f 0  5.82520e+01 8.94361e+00 3.27700e+01 218.430 -7.96782e-01 -6.32210e-01 0.00000e+00 0.00000e+00 2.98621e+01 218.430 2.90781e+00 38.430  0.4524 
1 1 1 10 6  41 o 17 1.27308e+02 4.60878e+00 1.89201e+02 80.900  1.92403e+00  1.20126e+01  0.00000e+00 0.00000e+00 9.96222e+01 80.900  8.95786e+01 260.900 0.9580 
1 1 1 10 6  42 o 4  2.20224e+02 3.55880e+00 1.82687e+02 283.812 6.46254e+00  -2.62867e+01 0.00000e+00 0.00000e+00 3.27295e+02 283.812 1.44608e+02 283.812 0.9814 
1 1 1 10 6  43 f 0  1.32163e+02 4.50025e+00 9.90941e+01 151.743 -7.90262e+00 4.24742e+00  0.00000e+00 0.00000e+00 1.93770e+02 151.743 9.46756e+01 151.743 0.9425 
1 1 1 10 6  44 o 19 4.34633e+01 1.00356e+01 5.13536e+01 164.976 -1.41493e+00 3.79776e-01  0.00000e+00 0.00000e+00 8.44265e+00 164.976 4.29110e+01 344.976 0.5874 
1 1 1 10 6  45 o 11 1.76815e+02 3.68819e+00 1.37618e+02 162.442 -1.75857e+01 5.56428e+00  0.00000e+00 0.00000e+00 2.63606e+02 162.442 1.25987e+02 162.442 0.9725 
1 1 1 10 6  46 o 5  3.86343e+01 9.73309e+00 4.86535e+01 240.848 -6.16403e-01 -1.10510e+00 0.00000e+00 0.00000e+00 8.32438e-01 60.848  4.94859e+01 60.848  0.5326 
1 1 1 10 6  47 f 0  2.06726e+02 3.52850e+00 2.57532e+02 210.863 -3.69636e+01 -2.20896e+01 0.00000e+00 0.00000e+00 2.15426e+02 210.863 4.21058e+01 30.863  0.9883 
1 1 1 10 6  48 o 7  1.55299e+02 4.47370e+00 1.90093e+02 334.634 2.64106e+01  -1.25214e+01 0.00000e+00 0.00000e+00 1.61757e+02 334.634 2.83367e+01 154.634 0.9827 
1 1 1 10 6  49 o 16 1.20396e+02 5.06346e+00 9.80314e+01 210.904 -9.81789e+00 -5.87686e+00 0.00000e+00 0.00000e+00 1.66003e+02 210.904 6.79720e+01 210.904 0.9553 
1 1 1 10 6  50 o 11 7.08485e+01 6.80035e+00 4.24969e+01 152.778 -2.94941e+00 1.51723e+00  0.00000e+00 0.00000e+00 9.20803e+01 152.778 4.95834e+01 152.778 0.8309 
1 1 1 10 6  52 o 11 5.97417e+01 8.34979e+00 6.91012e+01 168.529 -5.13704e+00 1.04247e+00  0.00000e+00 0.00000e+00 5.25593e+01 168.529 1.65419e+01 348.529 0.8987 
1 1 1 10 6  53 o 13 5.30838e+01 8.53764e+00 4.10190e+01 281.576 5.36094e-01  -2.61721e+00 0.00000e+00 0.00000e+00 5.26724e+01 281.576 1.16533e+01 281.576 0.7824 
1 1 1 10 6  54 o 5  1.05463e+02 4.48986e+00 1.11691e+02 157.674 -1.51015e+01 6.20148e+00  0.00000e+00 0.00000e+00 1.17740e+02 157.674 6.04957e+00 157.674 0.9689 
1 1 1 10 6  55 o 14 9.00338e+01 5.71533e+00 8.20989e+01 57.488  6.32392e+00  9.92184e+00  0.00000e+00 0.00000e+00 1.10360e+02 57.488  2.82609e+01 57.488  0.9565 
1 1 1 10 6  56 o 5  3.85910e+01 9.03147e+00 3.86145e+01 158.538 -2.01221e+00 7.91104e-01  0.00000e+00 0.00000e+00 2.34145e+01 158.538 1.51999e+01 338.538 0.7227 
1 1 1 10 6  57 o 13 4.11427e+01 1.11722e+01 6.00363e+01 102.156 -7.78833e-01 3.61579e+00  0.00000e+00 0.00000e+00 1.74437e+01 102.156 4.25926e+01 282.156 0.8508 
1 1 1 10 6  58 o 17 3.56598e+01 1.06577e+01 3.35311e+00 30.835  1.54551e-01  9.22586e-02  0.00000e+00 0.00000e+00 3.68642e+00 30.835  3.33309e-01 30.835  0.0896 
1 1 1 10 6  59 o 3  3.30069e+01 1.03531e+01 3.53302e+01 171.732 -2.04076e+00 2.96543e-01  0.00000e+00 0.00000e+00 1.58580e+01 171.732 1.94722e+01 351.732 0.7077 
1 1 1 10 6  60 o 17 1.07856e+02 5.29952e+00 9.21341e+01 272.559 9.60630e-01  -2.14965e+01 0.00000e+00 0.00000e+00 1.37468e+02 272.559 4.53341e+01 272.559 0.9765 
1 1 1 10 6  61 o 2  6.48408e+01 8.44435e+00 4.21915e+01 113.109 -2.24347e+00 5.25755e+00  0.00000e+00 0.00000e+00 8.54520e+01 113.109 4.32605e+01 113.109 0.9077 
1 1 1 10 6  62 o 14 8.76585e+01 6.24708e+00 6.25292e+01 24.203  1.28372e+01  5.77013e+00  0.00000e+00 0.00000e+00 1.19724e+02 24.203  5.71952e+01 24.203  0.9638 
1 1 1 10 6  63 o 5  6.10610e+01 8.76017e+00 7.60466e+01 328.349 1.00101e+01  -6.17063e+00 0.00000e+00 0.00000e+00 4.92673e+01 328.349 2.67793e+01 148.349 0.9565 
1 1 1 10 7  0  o 13 2.22202e+02 5.89270e+00 1.64556e+02 180.000 -3.17254e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.00301e+02 180.000 2.35745e+02 180.000 0.9965 
1 1 1 10 7  1  o 17 1.97794e+02 3.88220e+00 2.79056e+02 316.325 6.92650e+00  -6.61332e+00 0.00000e+00 0.00000e+00 1.98384e+02 316.325 8.06722e+01 136.325 0.9463 
1 1 1 10 7  2  o 15 1.26803e+02 4.71264e+00 2.53811e+02 331.025 4.86774e+00  -2.69546e+00 0.00000e+00 0.00000e+00 3.88879e+01 331.025 2.14923e+02 151.025 0.9050 
1 1 1 10 7  3  o 19 4.32366e+02 3.91104e+00 4.16487e+02 66.215  1.25341e+01  2.84382e+01  0.00000e+00 0.00000e+00 6.68178e+02 66.215  2.51691e+02 66.215  0.9838 
1 1 1 10 7  4  f 0  6.55552e+01 6.83295e+00 1.24658e+02 204.805 -1.26568e+00 -5.84959e-01 0.00000e+00 0.00000e+00 2.95839e+01 24.805  1.54242e+02 24.805  0.5689 
1 1 1 10 7  5  o 16 1.56893e+02 3.41515e+00 2.65849e+02 237.359 -3.84546e+00 -6.00357e+00 0.00000e+00 0.00000e+00 1.04754e+02 237.359 1.61096e+02 57.359  0.9270 
1 1 1 10 7  6  o 9  2.17412e+02 3.03473e+00 3.68894e+02 333.763 1.04979e+01  -5.17405e+00 0.00000e+00 0.00000e+00 1.60658e+02 333.763 2.08236e+02 153.763 0.9563 
1 1 1 10 7  7  o 7  8.51129e+01 5.16968e+00 1.22097e+02 32.944  1.25796e+00  8.15171e-01  0.00000e+00 0.00000e+00 7.01123e+00 32.944  1.15086e+02 212.944 0.5959 
1 1 1 10 7  8  o 8  1.95414e+02 3.14266e+00 2.74765e+02 102.082 -1.61074e+00 7.52468e+00  0.00000e+00 0.00000e+00 1.88840e+02 102.082 8.59242e+01 282.082 0.9326 
1 1 1 10 7  9  o 6  3.80794e+02 3.71713e+00 5.55997e+02 326.813 2.51073e+01  -1.64215e+01 0.00000e+00 0.00000e+00 3.95759e+02 326.813 1.60238e+02 146.813 0.9832 
1 1 1 10 7  10 o 3  3.57736e+02 3.22454e+00 4.62191e+02 162.455 -2.70426e+01 8.54960e+00  0.00000e+00 0.00000e+00 4.30312e+02 162.455 3.18789e+01 342.455 0.9822 
1 1 1 10 7  11 o 4  2.35401e+02 3.14212e+00 2.69970e+02 148.143 -9.14417e+00 5.68230e+00  0.00000e+00 0.00000e+00 2.98959e+02 148.143 2.89892e+01 148.143 0.9524 
1 1 1 10 7  12 o 19 2.79805e+02 3.51461e+00 2.73987e+02 348.177 1.25340e+01  -2.62369e+00 0.00000e+00 0.00000e+00 4.07098e+02 348.177 1.33112e+02 348.177 0.9601 
1 1 1 10 7  13 o 17 4.37703e+02 4.23174e+00 6.80398e+02 177.179 -4.15712e+01 2.04817e+00  0.00000e+00 0.00000e+00 4.14687e+02 177.179 2.65711e+02 357.179 0.9879 
1 1 1 10 7  14 o 16 2.33185e+02 3.47805e+00 3.94022e+02 144.085 -1.02379e+01 7.41518e+00  0.00000e+00 0.00000e+00 1.71999e+02 144.085 2.22023e+02 324.085 0.9596 
1 1 1 10 7  15 o 15 4.33692e+02 4.15105e+00 4.45748e+02 205.448 -2.35778e+01 -1.12198e+01 0.00000e+00 0.00000e+00 6.28738e+02 205.448 1.82990e+02 205.448 0.9807 
1 1 1 10 7  16 o 16 4.57478e+02 4.14390e+00 4.68737e+02 94.261  -2.79899e+00 3.75712e+01  0.00000e+00 0.00000e+00 6.70065e+02 94.261  2.01328e+02 94.261  0.9866 
1 1 1 10 7  17 o 10 3.83034e+02 3.75199e+00 3.70422e+02 359.201 2.44366e+01  -3.40973e-01 0.00000e+00 0.00000e+00 5.74649e+02 359.201 2.04227e+02 359.201 0.9793 
1 1 1 10 7  18 o 11 2.65052e+02 3.46734e+00 6.08414e+02 324.025 2.11782e+01  -1.53726e+01 0.00000e+00 0.00000e+00 4.54907e+01 324.025 5.62924e+02 144.025 0.9807 
1 1 1 10 7  19 f 0  1.22422e+02 4.55790e+00 1.38168e+02 349.373 2.63401e+00  -4.94224e-01 0.00000e+00 0.00000e+00 1.02658e+02 349.373 3.55105e+01 169.373 0.7832 
1 1 1 10 7  20 o 10 4.84975e+02 3.79799e+00 7.11239e+02 74.084  1.82135e+01  6.38711e+01  0.00000e+00 0.00000e+00 4.95593e+02 74.084  2.15646e+02 254.084 0.9924 
1 1 1 10 7  21 o 6  5.60657e+02 4.15412e+00 6.54141e+02 38.448  6.14401e+01  4.87810e+01  0.00000e+00 0.00000e+00 7.40189e+02 38.448  8.60476e+01 38.448  0.9936 
1 1 1 10 7  22 o 16 4.74618e+01 9.31575e+00 3.93629e+01 300.283 1.93648e-01  -3.31614e-01 0.00000e+00 0.00000e+00 1.70053e+01 120.283 5.63683e+01 120.283 0.1886 
1 1 1 10 7  23 o 11 1.27241e+02 4.34519e+00 1.11137e+02 45.083  2.05595e+00  2.06189e+00  0.00000e+00 0.00000e+00 1.43711e+02 45.083  3.25743e+01 45.083  0.8032 
1 1 1 10 7  24 o 12 4.54754e+02 3.68742e+00 4.45814e+02 271.668 1.26974e+00  -4.36075e+01 0.00000e+00 0.00000e+00 6.72760e+02 271.668 2.26946e+02 271.668 0.9885 
1 1 1 10 7  25 o 5  3.62026e+02 3.38917e+00 4.38748e+02 197.073 -3.18978e+01 -9.79642e+00 0.00000e+00 0.00000e+00 4.46651e+02 197.073 7.90287e+00 197.073 0.9849 
1 1 1 10 7  26 o 12 3.08420e+02 7.09321e+00 4.55022e+02 13.867  3.07224e+01  7.58408e+00  0.00000e+00 0.00000e+00 2.96982e+02 13.867  1.58040e+02 193.867 0.9841 
1 1 1 10 7  27 o 7  4.28387e+02 3.65206e+00 5.78491e+02 322.835 4.69865e+01  -3.56192e+01 0.00000e+00 0.00000e+00 4.71485e+02 322.835 1.07006e+02 142.835 0.9915 
1 1 1 10 7  28 o 5  3.24329e+02 3.63022e+00 3.06838e+02 246.481 -1.05370e+01 -2.42118e+01 0.00000e+00 0.00000e+00 4.77726e+02 246.481 1.70887e+02 246.481 0.9809 
1 1 1 10 7  29 o 4  1.97875e+02 3.51909e+00 1.39847e+02 50.040  4.88566e+00  5.83083e+00  0.00000e+00 0.00000e+00 3.13726e+02 50.040  1.73879e+02 50.040  0.9317 
1 1 1 10 7  30 o 4  1.50720e+02 1.03084e+01 1.32501e+02 113.215 -2.04241e+00 4.76186e+00  0.00000e+00 0.00000e+00 1.99412e+02 113.215 6.69105e+01 113.215 0.8974 
1 1 1 10 7  31 o 5  3.05537e+02 3.37024e+00 3.17189e+02 73.124  8.62870e+00  2.84441e+01  0.00000e+00 0.00000e+00 4.17907e+02 73.124  1.00718e+02 73.124  0.9830 
1 1 1 10 7  32 o 13 2.16986e+02 3.99381e+00 2.15157e+02 177.842 -1.64178e+01 6.18685e-01  0.00000e+00 0.00000e+00 2.98081e+02 177.842 8.29246e+01 177.842 0.9691 
1 1 1 10 7  33 o 3  2.98857e+02 3.38684e+00 4.22055e+02 342.469 3.95781e+01  -1.25023e+01 0.00000e+00 0.00000e+00 2.96535e+02 342.469 1.25519e+02 162.469 0.9879 
1 1 1 10 7  35 o 2  2.85203e+02 3.47220e+00 2.29031e+02 314.946 1.83683e+01  -1.84031e+01 0.00000e+00 0.00000e+00 4.47678e+02 314.946 2.18648e+02 314.946 0.9806 
1 1 1 10 7  36 o 2  9.86910e+01 5.81325e+00 1.23799e+02 48.612  3.59176e+00  4.07584e+00  0.00000e+00 0.00000e+00 9.10714e+01 48.612  3.27281e+01 228.612 0.9025 
1 1 1 10 7  37 o 14 1.63000e+02 4.00443e+00 1.20417e+02 302.042 4.56032e+00  -7.28615e+00 0.00000e+00 0.00000e+00 2.47996e+02 302.042 1.27579e+02 302.042 0.9399 
1 1 1 10 7  38 o 1  1.49868e+02 4.26771e+00 1.91250e+02 128.046 -8.68016e+00 1.10918e+01  0.00000e+00 0.00000e+00 1.54983e+02 128.046 3.62672e+01 308.046 0.9638 
1 1 1 10 7  39 o 18 9.04491e+01 6.73798e+00 6.79523e+01 69.187  1.19324e+00  3.13914e+00  0.00000e+00 0.00000e+00 1.12121e+02 69.187  4.41686e+01 69.187  0.8333 
1 1 1 10 7  40 o 17 2.54614e+02 4.53559e+00 2.68376e+02 17.977  3.29657e+01  1.06968e+01  0.00000e+00 0.00000e+00 3.29023e+02 17.977  6.06468e+01 17.977  0.9855 
1 1 1 10 7  41 o 13 1.04372e+02 6.19934e+00 1.28470e+02 95.307  -8.21265e-01 8.84158e+00  0.00000e+00 0.00000e+00 1.04770e+02 95.307  2.36999e+01 275.307 0.9419 
1 1 1 10 7  42 o 5  1.96331e+02 3.64888e+00 2.53452e+02 201.310 -3.21026e+01 -1.25227e+01 0.00000e+00 0.00000e+00 2.03912e+02 201.310 4.95404e+01 21.310  0.9854 
1 1 1 10 7  43 o 11 1.88015e+02 4.28124e+00 2.16564e+02 163.586 -2.75282e+01 8.10934e+00  0.00000e+00 0.00000e+00 2.18511e+02 163.586 1.94721e+00 163.586 0.9824 
1 1 1 10 7  44 o 10 2.60233e+02 3.33014e+00 2.23199e+02 89.676  2.51153e-01  4.44119e+01  0.00000e+00 0.00000e+00 3.80559e+02 89.676  1.57359e+02 89.676  0.9887 
1 1 1 10 7  45 o 16 6.41016e+01 8.03731e+00 1.91621e+02 143.455 -6.84787e+00 5.07542e+00  0.00000e+00 0.00000e+00 5.08601e+01 323.455 2.42481e+02 323.455 0.9394 
1 1 1 10 7  46 o 2  1.24258e+02 4.54645e+00 1.83659e+02 52.223  1.13050e+01  1.45865e+01  0.00000e+00 0.00000e+00 9.77222e+01 52.223  8.59372e+01 232.223 0.9725 
1 1 1 10 7  47 o 18 4.03246e+01 9.98389e+00 2.01280e+01 136.762 -5.40248e-01 5.07999e-01  0.00000e+00 0.00000e+00 1.23637e+01 136.762 7.76433e+00 316.762 0.3474 
1 1 1 10 7  48 o 3  3.48034e+01 9.63119e+00 4.44986e+01 261.569 -2.13391e-01 -1.43966e+00 0.00000e+00 0.00000e+00 2.51932e+00 261.569 4.19792e+01 81.569  0.5849 
1 1 1 10 7  49 o 7  4.55982e+01 9.39750e+00 1.24116e+02 261.102 -9.22748e-01 -5.89387e+00 0.00000e+00 0.00000e+00 2.84866e+01 81.102  1.52603e+02 81.102  0.9118 
1 1 1 10 7  50 f 0  8.79683e+01 1.00732e+01 9.41784e+01 259.815 -1.59506e+00 -8.87828e+00 0.00000e+00 0.00000e+00 9.57706e+01 259.815 1.59221e+00 259.815 0.9428 
1 1 1 10 7  51 o 13 3.00917e+01 9.05213e+00 3.41383e+01 187.483 -1.28139e+00 -1.68316e-01 0.00000e+00 0.00000e+00 2.94747e+00 187.483 3.11908e+01 7.483   0.5405 
1 1 1 10 7  52 o 9  2.66192e+01 8.47086e+00 1.00924e+01 351.042 3.41259e-01  -5.37942e-02 0.00000e+00 0.00000e+00 1.93398e-01 351.042 9.89898e+00 171.042 0.1702 
1 1 1 10 7  53 o 15 4.91549e+01 9.77431e+00 8.72777e+01 209.224 -4.68463e+00 -2.62077e+00 0.00000e+00 0.00000e+00 1.28403e+01 209.224 7.44374e+01 29.224  0.9013 
1 1 1 10 7  54 o 11 4.76788e+01 1.06475e+01 4.66423e+01 193.129 -2.69934e+00 -6.29617e-01 0.00000e+00 0.00000e+00 3.82585e+01 193.129 8.38388e+00 13.129  0.7916 
1 1 1 10 7  55 o 17 2.98666e+01 9.10716e+00 4.79145e+01 93.823  -1.39432e-01 2.08659e+00  0.00000e+00 0.00000e+00 2.89660e-01 273.823 4.82042e+01 273.823 0.7122 
1 1 1 10 7  56 o 1  8.18394e+01 6.50917e+00 7.45725e+01 219.523 -8.25184e+00 -6.80790e+00 0.00000e+00 0.00000e+00 9.90420e+01 219.523 2.44695e+01 219.523 0.9520 
1 1 1 10 7  57 o 14 4.17482e+01 1.00261e+01 1.95117e+01 353.371 1.24286e+00  -1.44438e-01 0.00000e+00 0.00000e+00 2.94005e+01 353.371 9.88889e+00 353.371 0.5284 
1 1 1 10 7  58 o 15 3.29735e+01 9.07515e+00 3.04317e+01 198.164 -1.64238e+00 -5.38839e-01 0.00000e+00 0.00000e+00 1.66957e+01 198.164 1.37360e+01 18.164  0.6478 
1 1 1 10 7  59 o 1  4.01191e+01 9.10899e+00 3.54824e+01 326.138 2.28797e+00  -1.53527e+00 0.00000e+00 0.00000e+00 3.41088e+01 326.138 1.37355e+00 146.138 0.7901 
1 1 1 10 7  60 o 15 5.47573e+01 1.09334e+01 8.37426e+01 321.189 6.78719e+00  -5.45916e+00 0.00000e+00 0.00000e+00 2.87623e+01 321.189 5.49803e+01 141.189 0.9407 
1 1 1 10 7  61 o 12 9.04706e+01 8.30847e+00 9.22723e+01 339.756 1.79234e+01  -6.61022e+00 0.00000e+00 0.00000e+00 9.90798e+01 339.756 6.80752e+00 339.756 0.9735 
1 1 1 10 7  62 o 12 3.25042e+01 9.72816e+00 5.76860e+01 216.889 -3.25934e+00 -2.44624e+00 0.00000e+00 0.00000e+00 3.17465e+00 216.889 5.45113e+01 36.889  0.8664 
1 1 1 10 8  0  o 19 6.11051e+02 8.10405e+00 7.08934e+02 180.000 -3.72324e+01 0.00000e+00  0.00000e+00 0.00000e+00 8.53203e+02 180.000 1.44270e+02 180.000 1.0000 
1 1 1 10 8  1  o 10 4.12430e+02 3.34950e+00 5.55783e+02 165.564 -3.83173e+01 9.86402e+00  0.00000e+00 0.00000e+00 4.85130e+02 165.564 7.06534e+01 345.564 0.9873 
1 1 1 10 8  2  o 14 2.21324e+02 3.23577e+00 2.30699e+02 107.719 -2.67801e+00 8.38149e+00  0.00000e+00 0.00000e+00 3.01824e+02 107.719 7.11258e+01 107.719 0.9413 
1 1 1 10 8  3  o 18 4.91852e+02 3.83427e+00 4.61109e+02 308.087 2.40140e+01  -3.06408e+01 0.00000e+00 0.00000e+00 7.79562e+02 308.087 3.18453e+02 308.087 0.9871 
1 1 1 10 8  4  o 10 1.68219e+02 3.71758e+00 1.90821e+02 318.975 4.14021e+00  -3.60220e+00 0.00000e+00 0.00000e+00 1.97496e+02 318.975 6.67521e+00 318.975 0.9036 
1 1 1 10 8  5  o 15 4.29062e+02 3.70953e+00 5.72295e+02 96.388  -4.64607e+00 4.14974e+01  0.00000e+00 0.00000e+00 5.10209e+02 96.388  6.20852e+01 276.388 0.9880 
1 1 1 10 8  6  o 13 2.38228e+02 3.95134e+00 2.42177e+02 323.553 7.83780e+00  -5.78847e+00 0.00000e+00 0.00000e+00 3.33797e+02 323.553 9.16207e+01 323.553 0.9472 
1 1 1 10 8  7  o 2  2.40685e+02 3.34970e+00 2.90544e+02 201.400 -1.09231e+01 -4.28062e+00 0.00000e+00 0.00000e+00 2.96681e+02 201.400 6.13740e+00 201.400 0.9564 
1 1 1 10 8  8  o 12 3.33769e+02 4.09537e+00 4.90875e+02 164.786 -2.23262e+01 6.07160e+00  0.00000e+00 0.00000e+00 3.41448e+02 164.786 1.49427e+02 344.786 0.9781 
1 1 1 10 8  9  o 7  4.35005e+02 4.66349e+00 4.58840e+02 243.003 -1.26493e+01 -2.48285e+01 0.00000e+00 0.00000e+00 6.29291e+02 243.003 1.70451e+02 243.003 0.9819 
1 1 1 10 8  10 o 7  3.13294e+02 3.97329e+00 4.01413e+02 84.024  1.80852e+00  1.72769e+01  0.00000e+00 0.00000e+00 3.72764e+02 84.024  2.86484e+01 264.024 0.9708 
1 1 1 10 8  11 o 6  3.27401e+02 3.66639e+00 4.10676e+02 113.976 -7.45475e+00 1.67621e+01  0.00000e+00 0.00000e+00 3.98940e+02 113.976 1.17360e+01 293.977 0.9724 
1 1 1 10 8  12 o 1  2.87738e+02 3.63367e+00 2.61295e+02 181.197 -1.34134e+01 -2.80235e-01 0.00000e+00 0.00000e+00 4.41950e+02 181.197 1.80655e+02 181.197 0.9620 
1 1 1 10 8  13 o 19 2.42861e+02 3.59806e+00 3.52713e+02 203.673 -1.37817e+01 -6.04205e+00 0.00000e+00 0.00000e+00 2.42801e+02 203.673 1.09911e+02 23.673  0.9662 
1 1 1 10 8  14 o 14 3.19819e+02 3.36483e+00 3.32549e+02 352.674 1.82310e+01  -2.34371e+00 0.00000e+00 0.00000e+00 4.55806e+02 352.674 1.23257e+02 352.674 0.9724 
1 1 1 10 8  15 o 19 1.71200e+02 3.74915e+00 3.38758e+02 136.931 -6.91689e+00 6.46569e+00  0.00000e+00 0.00000e+00 7.11122e+01 136.931 2.67646e+02 316.931 0.9456 
1 1 1 10 8  16 f 0  5.20930e+02 4.07811e+00 6.83507e+02 128.904 -3.58145e+01 4.43783e+01  0.00000e+00 0.00000e+00 6.22013e+02 128.904 6.14938e+01 308.904 0.9912 
1 1 1 10 8  17 o 18 3.68832e+02 3.54740e+00 4.09312e+02 261.725 -4.24240e+00 -2.91689e+01 0.00000e+00 0.00000e+00 5.05981e+02 261.725 9.66686e+01 261.725 0.9829 
1 1 1 10 8  18 o 7  2.35207e+02 3.32233e+00 3.71435e+02 140.462 -1.28946e+01 1.06440e+01  0.00000e+00 0.00000e+00 2.03507e+02 140.462 1.67928e+02 320.462 0.9696 
1 1 1 10 8  19 o 2  2.62750e+02 3.28774e+00 2.60307e+02 44.148  1.04814e+01  1.01741e+01  0.00000e+00 0.00000e+00 3.77972e+02 44.148  1.17665e+02 44.148  0.9651 
1 1 1 10 8  20 o 12 1.13225e+02 4.77542e+00 1.07052e+02 10.642  2.50665e+00  4.71021e-01  0.00000e+00 0.00000e+00 1.12125e+02 10.642  5.07237e+00 10.642  0.7704 
1 1 1 10 8  21 o 4  9.20781e+01 5.70927e+00 1.07929e+02 14.306  1.97676e+00  5.04106e-01  0.00000e+00 0.00000e+00 5.47221e+01 14.306  5.32068e+01 194.306 0.7042 
1 1 1 10 8  22 o 16 2.94360e+02 3.40426e+00 3.06905e+02 57.767  1.04039e+01  1.65004e+01  0.00000e+00 0.00000e+00 4.10926e+02 57.767  1.04021e+02 57.767  0.9740 
1 1 1 10 8  23 o 2  7.66746e+02 5.28310e+00 8.89787e+02 299.232 7.00342e+01  -1.25147e+02 0.00000e+00 0.00000e+00 1.01947e+03 299.232 1.29678e+02 299.232 0.9965 
1 1 1 10 8  24 o 1  4.08464e+02 9.52482e+00 6.18496e+02 280.985 1.08048e+01  -5.56643e+01 0.00000e+00 0.00000e+00 3.91084e+02 280.985 2.27413e+02 100.985 0.9911 
1 1 1 10 8  25 o 4  3.24191e+02 3.60245e+00 3.01693e+02 133.239 -1.60854e+01 1.71056e+01  0.00000e+00 0.00000e+00 4.87679e+02 133.239 1.85986e+02 133.239 0.9785 
1 1 1 10 8  26 o 7  4.37008e+02 3.90595e+00 5.35076e+02 224.770 -4.44896e+01 -4.41340e+01 0.00000e+00 0.00000e+00 5.41323e+02 224.770 6.24748e+00 224.770 0.9920 
1 1 1 10 8  27 o 18 1.79732e+02 4.11383e+00 1.47015e+02 129.445 -4.38587e+00 5.33096e+00  0.00000e+00 0.00000e+00 2.64596e+02 129.445 1.17581e+02 129.445 0.9244 
1 1 1 10 8  29 o 13 3.53183e+02 3.61601e+00 3.36421e+02 291.615 1.36258e+01  -3.43885e+01 0.00000e+00 0.00000e+00 5.22463e+02 291.615 1.86042e+02 291.615 0.9864 
1 1 1 10 8  30 o 6  2.02332e+02 3.94040e+00 1.79502e+02 349.422 1.27795e+01  -2.38664e+00 0.00000e+00 0.00000e+00 2.98522e+02 349.422 1.19019e+02 349.422 0.9607 
1 1 1 10 8  31 o 12 3.95652e+02 3.60876e+00 4.83529e+02 24.739  5.82112e+01  2.68218e+01  0.00000e+00 0.00000e+00 4.79272e+02 24.739  4.25663e+00 204.739 0.9922 
1 1 1 10 8  33 o 14 3.01007e+01 9.27169e+00 1.43910e+01 225.972 -1.18035e-01 -1.22110e-01 0.00000e+00 0.00000e+00 8.17882e+00 45.972  2.25699e+01 45.972  0.0846 
1 1 1 10 8  34 o 5  1.12902e+02 5.50358e+00 1.18964e+02 318.012 4.54071e+00  -4.08676e+00 0.00000e+00 0.00000e+00 1.32018e+02 318.012 1.30537e+01 318.012 0.9140 
1 1 1 10 8  35 o 5  1.13550e+02 5.48139e+00 1.20571e+02 300.257 3.06834e+00  -5.25987e+00 0.00000e+00 0.00000e+00 1.31020e+02 300.257 1.04495e+01 300.257 0.9137 
1 1 1 10 8  36 o 7  1.99788e+02 3.83294e+00 2.05677e+02 125.222 -1.05459e+01 1.49375e+01  0.00000e+00 0.00000e+00 2.63908e+02 125.222 5.82314e+01 125.222 0.9723 
1 1 1 10 8  37 o 10 2.43944e+02 3.58957e+00 2.24001e+02 118.219 -1.27106e+01 2.36865e+01  0.00000e+00 0.00000e+00 3.52833e+02 118.219 1.28832e+02 118.219 0.9812 
1 1 1 10 8  38 o 6  1.03624e+02 5.79944e+00 7.46333e+01 130.578 -2.76675e+00 3.23057e+00  0.00000e+00 0.00000e+00 1.42571e+02 130.578 6.79381e+01 130.578 0.8726 
1 1 1 10 8  39 o 18 1.33252e+02 4.71908e+00 2.00995e+02 319.269 1.02770e+01  -8.84912e+00 0.00000e+00 0.00000e+00 1.06030e+02 319.269 9.49655e+01 139.269 0.9624 
1 1 1 10 8  40 o 14 1.35798e+02 4.58247e+00 9.90844e+01 336.290 8.27620e+00  -3.63467e+00 0.00000e+00 0.00000e+00 2.06442e+02 336.290 1.07357e+02 336.290 0.9429 
1 1 1 10 8  41 o 9  1.65937e+02 4.04409e+00 2.40151e+02 56.284  1.56345e+01  2.34288e+01  0.00000e+00 0.00000e+00 1.47321e+02 56.284  9.28308e+01 236.284 0.9821 
1 1 1 10 8  42 o 17 2.99909e+02 3.50532e+00 3.17635e+02 159.939 -6.35142e+01 2.31941e+01  0.00000e+00 0.00000e+00 3.87624e+02 159.939 6.99893e+01 159.939 0.9926 
1 1 1 10 8  43 o 12 1.05220e+02 5.31748e+00 1.34494e+02 144.699 -8.71869e+00 6.17347e+00  0.00000e+00 0.00000e+00 1.01950e+02 144.699 3.25438e+01 324.699 0.9520 
1 1 1 10 8  44 o 5  5.03199e+01 9.48604e+00 1.16886e+02 93.241  -2.26710e-01 4.00358e+00  0.00000e+00 0.00000e+00 1.46558e+01 273.241 1.31542e+02 273.241 0.8639 
1 1 1 10 8  45 o 12 2.98011e+02 3.75760e+00 3.24699e+02 302.032 4.19246e+01  -6.70101e+01 0.00000e+00 0.00000e+00 3.69003e+02 302.032 4.43040e+01 302.032 0.9937 
1 1 1 10 8  46 o 14 4.84302e+01 1.02246e+01 2.21692e+01 115.084 -4.15205e-01 8.87014e-01  0.00000e+00 0.00000e+00 2.74462e+01 115.084 5.27702e+00 115.084 0.4390 
1 1 1 10 8  47 o 5  6.77209e+01 9.09232e+00 2.60742e+01 226.214 -1.16588e+00 -1.21638e+00 0.00000e+00 0.00000e+00 7.44402e+01 226.214 4.83660e+01 226.214 0.6386 
1 1 1 10 8  48 o 4  1.08711e+02 6.57630e+00 9.32332e+01 283.154 2.58528e+00  -1.10621e+01 0.00000e+00 0.00000e+00 1.47046e+02 283.154 5.38128e+01 283.154 0.9549 
1 1 1 10 8  49 o 13 1.39383e+02 7.30719e+00 1.32937e+02 163.604 -2.07022e+01 6.09129e+00  0.00000e+00 0.00000e+00 1.80798e+02 163.604 4.78611e+01 163.604 0.9765 
1 1 1 10 8  50 o 9  1.06334e+02 5.66663e+00 1.38288e+02 345.707 1.94288e+01  -4.94990e+00 0.00000e+00 0.00000e+00 9.95966e+01 345.707 3.86909e+01 165.707 0.9747 
1 1 1 10 8  51 o 18 1.02443e+02 6.11728e+00 1.38994e+02 280.661 3.58989e+00  -1.90704e+01 0.00000e+00 0.00000e+00 8.89889e+01 280.661 5.00050e+01 100.661 0.9739 
1 1 1 10 8  52 o 8  1.09769e+02 5.52303e+00 8.59657e+01 23.161  1.20418e+01  5.15135e+00  0.00000e+00 0.00000e+00 1.54029e+02 23.161  6.80637e+01 23.161  0.9610 
1 1 1 10 8  53 o 7  2.76119e+01 8.79534e+00 2.64393e+01 237.813 -5.13906e-01 -8.16489e-01 0.00000e+00 0.00000e+00 6.85440e-01 237.813 2.57538e+01 57.813  0.4338 
1 1 1 10 8  54 o 9  9.20554e+01 7.68865e+00 1.22246e+02 97.663  -2.29850e+00 1.70840e+01  0.00000e+00 0.00000e+00 7.91627e+01 97.663  4.30833e+01 277.663 0.9705 
1 1 1 10 8  55 o 1  4.79203e+01 1.10813e+01 3.91393e+01 41.140  2.15258e+00  1.88047e+00  0.00000e+00 0.00000e+00 4.67625e+01 41.140  7.62321e+00 41.140  0.7989 
1 1 1 10 8  56 o 17 6.23312e+01 9.45191e+00 3.68280e+01 307.248 2.19127e+00  -2.88188e+00 0.00000e+00 0.00000e+00 8.10838e+01 307.248 4.42558e+01 307.248 0.8472 
1 1 1 10 8  57 o 18 5.60964e+01 1.02563e+01 3.18030e+01 72.400  8.96672e-01  2.82667e+00  0.00000e+00 0.00000e+00 6.88434e+01 72.400  3.70404e+01 72.400  0.8074 
1 1 1 10 8  58 o 16 1.50499e+02 4.42751e+00 1.61183e+02 313.264 3.75488e+01  -3.98952e+01 0.00000e+00 0.00000e+00 1.68543e+02 313.264 7.36050e+00 313.264 0.9908 
1 1 1 10 8  59 o 7  5.39380e+01 8.92891e+00 6.59562e+01 38.066  5.82182e+00  4.55937e+00  0.00000e+00 0.00000e+00 4.43658e+01 38.066  2.15904e+01 218.066 0.9297 
1 1 1 10 8  60 f 0  4.93188e+01 9.21116e+00 4.43580e+01 257.697 -1.03410e+00 -4.74157e+00 0.00000e+00 0.00000e+00 5.16997e+01 257.697 7.34168e+00 257.697 0.8899 
1 1 1 10 8  61 o 10 8.66454e+01 5.93609e+00 9.88537e+01 119.230 -1.06679e+01 1.90644e+01  0.00000e+00 0.00000e+00 8.54354e+01 119.230 1.34183e+01 299.230 0.9768 
1 1 1 10 9  0  o 2  2.69157e+01 1.59897e+01 2.63451e+02 0.000   4.80162e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.32662e+02 180.000 4.96113e+02 180.000 0.4464 
1 1 1 10 9  1  o 11 3.08209e+02 3.69172e+00 4.89290e+02 281.644 4.20298e+00  -2.03949e+01 0.00000e+00 0.00000e+00 2.81308e+02 281.644 2.07982e+02 101.644 0.9757 
1 1 1 10 9  2  o 7  5.92252e+02 5.51204e+00 7.02032e+02 89.087  9.10413e-01  5.71321e+01  0.00000e+00 0.00000e+00 8.02111e+02 89.087  1.00080e+02 89.087  0.9912 
1 1 1 10 9  3  f 0  4.23196e+02 4.14097e+00 5.59381e+02 110.380 -1.13218e+01 3.04757e+01  0.00000e+00 0.00000e+00 5.07903e+02 110.380 5.14780e+01 290.380 0.9845 
1 1 1 10 9  4  o 2  1.69774e+02 4.80778e+00 3.56101e+02 65.538  3.42007e+00  7.51797e+00  0.00000e+00 0.00000e+00 5.14326e+01 65.538  3.04669e+02 245.538 0.9373 
1 1 1 10 9  5  o 3  2.10416e+02 3.78614e+00 3.51383e+02 166.677 -1.29852e+01 3.07517e+00  0.00000e+00 0.00000e+00 1.66668e+02 166.677 1.84715e+02 346.677 0.9618 
1 1 1 10 9  6  o 11 1.83402e+02 3.89409e+00 2.06972e+02 312.700 4.61286e+00  -4.99890e+00 0.00000e+00 0.00000e+00 2.26281e+02 312.700 1.93091e+01 312.700 0.9233 
1 1 1 10 9  7  o 14 7.18371e+02 4.82873e+00 7.75228e+02 177.074 -9.86680e+01 5.04393e+00  0.00000e+00 0.00000e+00 1.05251e+03 177.074 2.77278e+02 177.074 0.9949 
1 1 1 10 9  8  o 2  2.66685e+02 3.24099e+00 3.78229e+02 324.863 1.45396e+01  -1.02326e+01 0.00000e+00 0.00000e+00 2.83856e+02 324.863 9.43730e+01 144.863 0.9715 
1 1 1 10 9  9  o 15 6.96665e+02 5.08104e+00 8.93992e+02 139.519 -8.23474e+01 7.02851e+01  0.00000e+00 0.00000e+00 8.76861e+02 139.519 1.71316e+01 319.519 0.9954 
1 1 1 10 9  10 o 4  7.26411e+02 5.24920e+00 9.41028e+02 135.149 -8.00928e+01 7.96776e+01  0.00000e+00 0.00000e+00 9.04283e+02 135.149 3.67457e+01 315.149 0.9956 
1 1 1 10 9  11 o 5  4.79402e+02 4.00289e+00 6.06111e+02 307.230 2.87561e+01  -3.78439e+01 0.00000e+00 0.00000e+00 6.03114e+02 307.230 2.99701e+00 127.230 0.9894 
1 1 1 10 9  12 o 12 1.76448e+02 4.35857e+00 2.04351e+02 61.770  2.74996e+00  5.12224e+00  0.00000e+00 0.00000e+00 2.04295e+02 61.770  5.57442e-02 241.770 0.9094 
1 1 1 10 9  13 o 1  2.67917e+02 3.64409e+00 2.25876e+02 86.390  7.52706e-01  1.19310e+01  0.00000e+00 0.00000e+00 4.26557e+02 86.390  2.00681e+02 86.390  0.9572 
1 1 1 10 9  14 o 9  3.77873e+02 3.48404e+00 3.56549e+02 6.071   2.60585e+01  2.77144e+00  0.00000e+00 0.00000e+00 5.85157e+02 6.071   2.28607e+02 6.071   0.9807 
1 1 1 10 9  15 o 6  2.17841e+02 3.53314e+00 3.03181e+02 256.435 -3.37195e+00 -1.39752e+01 0.00000e+00 0.00000e+00 2.30091e+02 256.435 7.30903e+01 76.435  0.9646 
1 1 1 10 9  16 o 11 2.61974e+02 3.23279e+00 4.27798e+02 122.098 -1.27657e+01 2.03521e+01  0.00000e+00 0.00000e+00 2.22211e+02 122.098 2.05587e+02 302.098 0.9790 
1 1 1 10 9  17 o 4  4.47616e+02 3.57693e+00 5.44191e+02 43.850  3.73084e+01  3.58398e+01  0.00000e+00 0.00000e+00 5.77684e+02 43.850  3.34926e+01 43.850  0.9903 
1 1 1 10 9  18 o 15 4.07108e+02 3.71887e+00 4.01945e+02 135.368 -2.42582e+01 2.39488e+01  0.00000e+00 0.00000e+00 6.11652e+02 135.368 2.09707e+02 135.368 0.9852 
1 1 1 10 9  19 o 9  1.53795e+02 3.92865e+00 1.79399e+02 13.804  5.85347e+00  1.43818e+00  0.00000e+00 0.00000e+00 1.74794e+02 13.804  4.60541e+00 193.804 0.9128 
1 1 1 10 9  20 o 11 9.74919e+01 5.39194e+00 2.40719e+02 256.878 -1.13712e+00 -4.87802e+00 0.00000e+00 0.00000e+00 2.12854e+01 76.878  2.62004e+02 76.878  0.8936 
1 1 1 10 9  21 o 1  3.61512e+02 5.47938e+00 3.19875e+02 195.797 -2.58698e+01 -7.31879e+00 0.00000e+00 0.00000e+00 5.72033e+02 195.797 2.52158e+02 195.797 0.9812 
1 1 1 10 9  22 o 8  4.63764e+02 3.71086e+00 4.05692e+02 238.718 -2.23576e+01 -3.67979e+01 0.00000e+00 0.00000e+00 7.44626e+02 238.718 3.38934e+02 238.718 0.9883 
1 1 1 10 9  23 o 14 4.35457e+02 3.87588e+00 5.19628e+02 232.458 -3.30563e+01 -4.30142e+01 0.00000e+00 0.00000e+00 5.61024e+02 232.458 4.13960e+01 232.458 0.9907 
1 1 1 10 9  24 o 7  2.22988e+02 3.70234e+00 2.98656e+02 104.692 -4.53548e+00 1.72985e+01  0.00000e+00 0.00000e+00 2.42948e+02 104.692 5.57083e+01 284.692 0.9716 
1 1 1 10 9  25 o 17 2.72072e+02 3.51303e+00 2.69317e+02 275.818 2.07462e+00  -2.03612e+01 0.00000e+00 0.00000e+00 3.92572e+02 275.818 1.23255e+02 275.818 0.9753 
1 1 1 10 9  27 o 17 4.96518e+02 4.43010e+00 4.55688e+02 105.629 -1.90633e+01 6.81459e+01  0.00000e+00 0.00000e+00 7.68585e+02 105.629 3.12897e+02 105.629 0.9929 
1 1 1 10 9  28 o 19 2.52317e+02 3.63838e+00 3.34956e+02 238.589 -1.59224e+01 -2.60740e+01 0.00000e+00 0.00000e+00 2.79828e+02 238.589 5.51273e+01 58.589  0.9835 
1 1 1 10 9  29 o 6  5.37388e+02 4.29137e+00 5.84333e+02 22.697  9.78627e+01  4.09302e+01  0.00000e+00 0.00000e+00 7.37471e+02 22.697  1.53138e+02 22.697  0.9953 
1 1 1 10 9  31 o 17 3.32501e+02 4.27856e+00 3.59556e+02 202.542 -4.53397e+01 -1.88191e+01 0.00000e+00 0.00000e+00 4.49561e+02 202.542 9.00053e+01 202.542 0.9898 
1 1 1 10 9  32 o 8  1.85706e+02 4.18055e+00 1.61050e+02 245.630 -4.94672e+00 -1.09204e+01 0.00000e+00 0.00000e+00 2.74863e+02 245.630 1.13813e+02 245.630 0.9573 
1 1 1 10 9  33 o 10 1.90441e+02 4.12262e+00 1.72081e+02 38.116  1.17082e+01  9.18566e+00  0.00000e+00 0.00000e+00 2.77631e+02 38.116  1.05550e+02 38.116  0.9658 
1 1 1 10 9  34 o 3  3.00675e+02 3.58134e+00 3.41214e+02 29.860  3.95897e+01  2.27286e+01  0.00000e+00 0.00000e+00 3.83758e+02 29.860  4.25438e+01 29.860  0.9890 
1 1 1 10 9  35 o 17 2.85187e+02 3.61238e+00 3.88633e+02 66.320  1.96670e+01  4.48451e+01  0.00000e+00 0.00000e+00 2.97473e+02 66.320  9.11594e+01 246.320 0.9897 
1 1 1 10 9  36 o 12 2.95346e+02 3.59263e+00 2.98646e+02 57.126  2.34011e+01  3.62093e+01  0.00000e+00 0.00000e+00 4.08723e+02 57.126  1.10077e+02 57.126  0.9883 
1 1 1 10 9  37 o 17 4.55652e+01 9.61461e+00 6.52446e+01 286.205 4.10949e-01  -1.41403e+00 0.00000e+00 0.00000e+00 3.82299e-01 106.205 6.56269e+01 106.205 0.5893 
1 1 1 10 9  38 o 17 2.24033e+02 3.72502e+00 3.03382e+02 115.190 -1.99625e+01 4.24410e+01  0.00000e+00 0.00000e+00 2.30286e+02 115.190 7.30963e+01 295.190 0.9893 
1 1 1 10 9  39 o 3  4.92111e+01 1.04979e+01 1.07263e+01 330.223 3.00105e-01  -1.71708e-01 0.00000e+00 0.00000e+00 9.39186e+00 330.223 1.33442e+00 150.224 0.1703 
1 1 1 10 9  40 o 16 1.43153e+02 4.58705e+00 1.33092e+02 191.646 -1.31039e+01 -2.70087e+00 0.00000e+00 0.00000e+00 1.96240e+02 191.646 6.31485e+01 191.646 0.9619 
1 1 1 10 9  41 o 19 2.25771e+02 3.70564e+00 2.89422e+02 239.091 -2.37545e+01 -3.96760e+01 0.00000e+00 0.00000e+00 2.42834e+02 239.091 4.65877e+01 59.091  0.9891 
1 1 1 10 9  42 f 0  8.10442e+01 6.91651e+00 1.30274e+02 320.457 6.03318e+00  -4.98090e+00 0.00000e+00 0.00000e+00 4.94389e+01 320.457 8.08352e+01 140.457 0.9337 
1 1 1 10 9  43 o 4  1.18615e+02 5.27301e+00 7.66675e+01 229.576 -5.41239e+00 -6.35426e+00 0.00000e+00 0.00000e+00 1.86608e+02 229.576 1.09941e+02 229.576 0.9380 
1 1 1 10 9  44 o 11 9.46511e+01 6.38508e+00 8.30471e+01 249.963 -2.14569e+00 -5.88349e+00 0.00000e+00 0.00000e+00 1.21392e+02 249.963 3.83450e+01 249.963 0.9163 
1 1 1 10 9  45 o 9  4.06279e+01 9.94390e+00 5.08438e+01 143.284 -1.52040e+00 1.13393e+00  0.00000e+00 0.00000e+00 1.40380e+01 143.284 3.68058e+01 323.284 0.6801 
1 1 1 10 9  46 o 19 9.72983e+01 6.49335e+00 1.05344e+02 64.782  4.21696e+00  8.95440e+00  0.00000e+00 0.00000e+00 1.10424e+02 64.782  5.08028e+00 64.782  0.9481 
1 1 1 10 9  47 o 10 8.01649e+01 7.43927e+00 5.63946e+01 239.076 -2.56886e+00 -4.28820e+00 0.00000e+00 0.00000e+00 1.10451e+02 239.076 5.40567e+01 239.076 0.8934 
1 1 1 10 9  49 o 14 3.92319e+01 9.83311e+00 8.81578e+01 83.725  4.69225e-01  4.26729e+00  0.00000e+00 0.00000e+00 8.94078e+00 263.725 9.70986e+01 263.725 0.8739 
1 1 1 10 9  50 o 19 6.13743e+01 8.82068e+00 6.51093e+01 249.150 -1.82933e+00 -4.80317e+00 0.00000e+00 0.00000e+00 6.14823e+01 249.150 3.62703e+00 69.150  0.8965 
1 1 1 10 9  51 o 5  6.84909e+01 9.19876e+00 1.05233e+02 290.256 3.20198e+00  -8.67646e+00 0.00000e+00 0.00000e+00 4.29155e+01 290.256 6.23178e+01 110.256 0.9443 
1 1 1 10 9  52 o 2  4.67255e+01 1.02198e+01 6.16772e+01 74.170  1.00200e+00  3.53393e+00  0.00000e+00 0.00000e+00 2.88618e+01 74.170  3.28154e+01 254.170 0.8497 
1 1 1 10 9  53 o 2  4.92001e+01 1.03512e+01 4.52634e+01 321.119 2.46137e+00  -1.98469e+00 0.00000e+00 0.00000e+00 4.64686e+01 321.119 1.20521e+00 321.119 0.8213 
1 1 1 10 9  54 o 13 8.97988e+01 6.26453e+00 9.40264e+01 25.393  1.36355e+01  6.47244e+00  0.00000e+00 0.00000e+00 1.02056e+02 25.393  8.02911e+00 25.393  0.9663 
1 1 1 10 9  55 f 0  4.52694e+01 1.08735e+01 5.24788e+01 172.453 -3.54924e+00 4.70202e-01  0.00000e+00 0.00000e+00 3.35766e+01 172.453 1.89021e+01 352.453 0.8452 
1 1 1 10 9  56 o 7  3.40755e+01 1.03282e+01 2.12420e+00 119.661 -5.96491e-02 1.04743e-01  0.00000e+00 0.00000e+00 2.46446e+00 119.661 3.40262e-01 119.661 0.0602 
1 1 1 10 9  57 o 7  3.38383e+01 1.04435e+01 3.50578e+01 1.573   2.19907e+00  6.03826e-02  0.00000e+00 0.00000e+00 1.98171e+01 1.573   1.52407e+01 181.573 0.7280 
1 1 1 10 9  58 o 4  4.08449e+01 1.00034e+01 1.42096e+01 78.344  2.34037e-01  1.13453e+00  0.00000e+00 0.00000e+00 3.10308e+01 78.344  1.68212e+01 78.344  0.4997 
1 1 1 10 9  59 o 6  3.02567e+01 9.31085e+00 5.05639e+01 124.723 -1.93484e+00 2.79186e+00  0.00000e+00 0.00000e+00 5.18791e+00 124.723 4.53759e+01 304.723 0.8355 
1 1 1 10 9  60 o 18 5.69128e+01 9.92332e+00 5.82887e+01 123.211 -3.96300e+00 6.05344e+00  0.00000e+00 0.00000e+00 5.75994e+01 123.211 6.89218e-01 303.212 0.9281 
1 1 1 10 10 0  o 13 4.78933e+02 7.54516e+00 5.33840e+02 0.000   1.05170e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.96823e+02 0.000   1.62983e+02 0.000   1.0000 
1 1 1 10 10 1  o 5  5.25390e+01 1.91834e+01 1.35040e+02 270.000 -3.44821e-17 -5.63135e-01 0.00000e+00 0.00000e+00 6.61501e+01 90.000  2.01190e+02 90.000  0.5103 
1 1 1 10 10 2  o 12 1.92578e+02 6.30480e+00 1.03730e+02 180.000 -1.63751e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.54977e+02 180.000 2.51247e+02 180.000 0.9271 
1 1 1 10 10 3  o 7  4.92897e+02 5.86196e+00 4.81602e+02 270.000 -1.18862e-15 -1.94117e+01 0.00000e+00 0.00000e+00 7.84452e+02 270.000 3.02850e+02 270.000 1.0000 
1 1 1 10 10 4  o 9  4.38764e+02 5.55751e+00 6.39308e+02 180.000 -2.28509e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.87360e+02 180.000 1.51949e+02 0.000   1.0000 
1 1 1 10 10 5  o 4  5.48102e+01 1.87759e+01 4.53396e+01 270.000 -1.19308e-17 -1.94845e-01 0.00000e+00 0.00000e+00 1.82689e+01 90.000  6.36085e+01 90.000  0.1924 
1 1 1 10 10 6  o 17 5.72840e+02 5.90929e+00 6.27156e+02 0.000   3.58981e+01  0.00000e+00  0.00000e+00 0.00000e+00 8.42527e+02 0.000   2.15371e+02 0.000   1.0000 
1 1 1 10 10 7  o 16 2.61712e+01 1.62631e+01 1.10767e+02 270.000 -1.71023e-17 -2.79302e-01 0.00000e+00 0.00000e+00 9.24966e+01 90.000  2.03264e+02 90.000  0.2723 
1 1 1 10 10 8  o 12 8.14305e+01 1.17937e+01 7.51975e+01 180.000 -5.94089e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.59863e+01 180.000 3.92112e+01 0.000   0.5328 
1 1 1 10 10 9  o 17 3.63186e+02 5.36114e+00 4.55735e+02 90.000  9.87191e-16  1.61221e+01  0.00000e+00 0.00000e+00 4.74250e+02 90.000  1.85155e+01 90.000  1.0000 
1 1 1 10 10 10 o 14 2.06697e+02 5.09642e+00 2.10887e+02 180.000 -4.78121e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.17880e+02 180.000 1.06993e+02 180.000 0.9999 
1 1 1 10 10 11 o 14 2.08503e+02 5.68304e+00 8.99183e+01 90.000  1.24462e-16  2.03263e+00  0.00000e+00 0.00000e+00 4.25079e+02 90.000  3.35160e+02 90.000  0.9663 
1 1 1 10 10 12 o 1  2.31085e+01 1.49919e+01 5.04931e+01 0.000   1.21830e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.33390e+01 180.000 9.38321e+01 180.000 0.1212 
1 1 1 10 10 13 o 19 4.67344e+02 5.55168e+00 5.69583e+02 270.000 -1.73861e-15 -2.83936e+01 0.00000e+00 0.00000e+00 6.22579e+02 270.000 5.29962e+01 270.000 1.0000 
1 1 1 10 10 14 o 14 7.81821e+01 9.88117e+00 1.39535e+02 180.000 -1.13652e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.24659e+01 180.000 1.17069e+02 0.000   0.8132 
1 1 1 10 10 15 o 13 3.57550e+02 5.00499e+00 5.04979e+02 90.000  1.14507e-15  1.87004e+01  0.00000e+00 0.00000e+00 4.04905e+02 90.000  1.00075e+02 270.000 1.0000 
1 1 1 10 10 16 o 12 2.71443e+01 1.67300e+01 1.97321e+01 180.000 -5.64312e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.58434e+01 0.000   3.55755e+01 0.000   0.0564 
1 1 1 10 10 17 o 3  5.84410e+02 6.91576e+00 7.83261e+02 90.000  2.99806e-15  4.89620e+01  0.00000e+00 0.00000e+00 6.99830e+02 90.000  8.34305e+01 270.000 1.0000 
1 1 1 10 10 19 o 4  1.15188e+02 8.18377e+00 2.03575e+02 270.000 -1.64505e-16 -2.68657e+00 0.00000e+00 0.00000e+00 8.51457e+01 270.000 1.18429e+02 90.000  0.9908 
1 1 1 10 10 20 o 18 2.84918e+02 5.22095e+00 4.41505e+02 180.000 -1.52355e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.78095e+02 180.000 1.63410e+02 0.000   1.0000 
1 1 1 10 10 21 o 12 8.48238e+01 1.09057e+01 2.21119e+02 270.000 -1.53754e-16 -2.51099e+00 0.00000e+00 0.00000e+00 1.00649e+01 90.000  2.31184e+02 90.000  0.9869 
1 1 1 10 10 22 o 11 4.03588e+02 4.95483e+00 3.11647e+02 0.000   1.67675e+01  0.00000e+00  0.00000e+00 0.00000e+00 7.03982e+02 0.000   3.92334e+02 0.000   1.0000 
1 1 1 10 10 24 o 4  1.08228e+02 9.25635e+00 2.46468e+02 180.000 -4.21696e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.46907e+01 180.000 2.21777e+02 0.000   0.9996 
1 1 1 10 10 25 o 14 3.21989e+02 4.74818e+00 4.07561e+02 270.000 -1.25910e-15 -2.05627e+01 0.00000e+00 0.00000e+00 3.97811e+02 270.000 9.74936e+00 90.000  1.0000 
1 1 1 10 10 26 o 18 9.47887e+01 8.63351e+00 2.05844e+02 0.000   3.49146e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.02862e+01 0.000   1.75557e+02 180.000 0.9981 
1 1 1 10 10 27 o 8  2.19501e+02 6.67738e+00 2.47752e+02 90.000  5.62874e-16  9.19242e+00  0.00000e+00 0.00000e+00 2.98815e+02 90.000  5.10629e+01 90.000  1.0000 
1 1 1 10 10 29 o 1  2.75725e+02 5.19073e+00 1.79416e+02 90.000  6.27138e-16  1.02419e+01  0.00000e+00 0.00000e+00 5.03842e+02 90.000  3.24426e+02 90.000  1.0000 
1 1 1 10 10 30 o 8  1.66836e+02 6.25448e+00 7.05976e+00 0.000   2.37591e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.91143e+01 0.000   8.20545e+01 0.000   0.2332 
1 1 1 10 10 31 o 6  1.54610e+02 6.47868e+00 1.62899e+02 90.000  3.52501e-16  5.75677e+00  0.00000e+00 0.00000e+00 2.18246e+02 90.000  5.53469e+01 90.000  1.0000 
1 1 1 10 10 32 o 18 2.22775e+02 5.41584e+00 2.23430e+02 0.000   1.11794e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.24274e+02 0.000   1.00843e+02 0.000   1.0000 
1 1 1 10 10 33 f 0  2.21106e+02 6.40902e+00 1.45417e+02 90.000  4.38350e-16  7.15879e+00  0.00000e+00 0.00000e+00 3.96663e+02 90.000  2.51246e+02 90.000  1.0000 
1 1 1 10 10 34 o 13 2.97657e+02 5.09548e+00 3.25287e+02 0.000   2.39739e+01  0.00000e+00  0.00000e+00 0.00000e+00 4.02365e+02 0.000   7.70773e+01 0.000   1.0000 
1 1 1 10 10 35 o 17 7.90418e+01 1.09001e+01 1.89623e+02 270.000 -2.50189e-16 -4.08590e+00 0.00000e+00 0.00000e+00 2.91963e+00 270.000 1.86703e+02 90.000  0.9994 
1 1 1 10 10 36 o 19 1.10276e+02 8.07273e+00 1.20712e+02 180.000 -3.38482e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.46631e+02 180.000 2.59185e+01 180.000 0.9977 
1 1 1 10 10 37 o 4  1.09075e+02 8.15616e+00 6.96518e+01 270.000 -1.56693e-16 -2.55899e+00 0.00000e+00 0.00000e+00 1.91409e+02 270.000 1.21758e+02 270.000 0.9881 
1 1 1 10 10 38 o 9  2.82343e+01 1.70955e+01 5.44541e+01 180.000 -4.95757e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.31797e+01 0.000   7.76338e+01 0.000   0.4588 
1 1 1 10 10 39 o 9  1.82978e+02 6.21098e+00 1.29565e+02 270.000 -5.20743e-16 -8.50437e+00 0.00000e+00 0.00000e+00 3.10755e+02 270.000 1.81191e+02 270.000 1.0000 
1 1 1 10 10 40 o 10 1.16976e+02 8.51529e+00 1.26320e+02 0.000   5.63775e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.54209e+02 0.000   2.78896e+01 0.000   1.0000 
1 1 1 10 10 41 o 1  1.65086e+02 6.55106e+00 1.69093e+02 270.000 -6.29049e-16 -1.02732e+01 0.00000e+00 0.00000e+00 2.25439e+02 270.000 5.63459e+01 270.000 1.0000 
1 1 1 10 10 42 o 2  1.12404e+02 7.59173e+00 1.16352e+02 0.000   5.97399e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.51314e+02 0.000   3.49619e+01 0.000   1.0000 
1 1 1 10 10 43 o 6  7.85031e+01 1.03619e+01 9.30145e+01 90.000  2.20229e-16  3.59661e+00  0.00000e+00 0.00000e+00 9.29622e+01 90.000  5.23541e-02 270.000 0.9985 
1 1 1 10 10 44 o 6  2.22358e+02 5.18434e+00 1.97648e+02 0.000   2.32824e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.27943e+02 0.000   1.30295e+02 0.000   1.0000 
1 1 1 10 10 45 o 11 1.88699e+01 1.29476e+01 6.09772e+01 270.000 -3.24218e-17 -5.29488e-01 0.00000e+00 0.00000e+00 3.94280e+01 90.000  1.00405e+02 90.000  0.4850 
1 1 1 10 10 46 o 9  8.73517e+01 9.89602e+00 5.12845e+01 180.000 -2.69101e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.51717e+02 180.000 1.00433e+02 180.000 0.9908 
1 1 1 10 10 48 o 16 2.25361e+01 1.47127e+01 2.64783e+01 180.000 -3.64126e-01 0.00000e+00  0.00000e+00 0.00000e+00 8.18845e+00 0.000   3.46667e+01 0.000   0.3488 
1 1 1 10 10 49 o 9  1.91267e+01 1.31786e+01 5.56340e+01 270.000 -3.99117e-17 -6.51808e-01 0.00000e+00 0.00000e+00 3.02482e+01 90.000  8.58823e+01 90.000  0.5729 
1 1 1 10 10 50 o 15 1.13704e+02 8.57729e+00 1.18234e+02 0.000   9.29031e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.44069e+02 0.000   2.58346e+01 0.000   1.0000 
1 1 1 10 10 51 o 3  1.57233e+02 1.02249e+01 2.00125e+02 90.000  1.51587e-15  2.47561e+01  0.00000e+00 0.00000e+00 1.61019e+02 90.000  3.91065e+01 270.000 1.0000 
1 1 1 10 10 52 o 3  7.81006e+01 1.20954e+01 8.48841e+01 180.000 -4.98793e+00 0.00000e+00  0.00000e+00 0.00000e+00 9.36910e+01 180.000 8.80693e+00 180.000 0.9999 
1 1 1 10 10 53 o 13 1.72066e+02 7.17451e+00 1.59553e+02 90.000  1.54948e-15  2.53049e+01  0.00000e+00 0.00000e+00 2.32130e+02 90.000  7.25771e+01 90.000  1.0000 
1 1 1 10 10 54 o 13 2.33329e+01 1.51241e+01 5.87751e+01 180.000 -1.04220e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.76028e+01 0.000   7.63779e+01 0.000   0.7788 
1 1 1 10 10 55 o 5  2.66842e+01 1.65385e+01 4.61866e+00 270.000 -5.96074e-18 -9.73463e-02 0.00000e+00 0.00000e+00 1.22115e+00 270.000 3.39751e+00 90.000  0.0970 
1 1 1 10 10 56 f 0  2.12809e+01 1.41818e+01 3.03078e+01 180.000 -6.10289e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.30824e+00 0.000   3.46161e+01 0.000   0.5443 
1 1 1 10 10 57 o 15 7.14024e+01 1.68689e+01 7.43745e+01 90.000  2.97366e-16  4.85635e+00  0.00000e+00 0.00000e+00 8.50874e+01 90.000  1.07129e+01 90.000  0.9999 
1 1 1 10 10 58 o 13 1.67559e+01 1.21690e+01 6.61317e+00 180.000 -1.27408e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.89399e+00 0.000   8.50716e+00 0.000   0.1267 
1 1 1 10 10 59 o 8  7.75793e+01 1.12147e+01 6.20377e+01 90.000  3.52816e-16  5.76192e+00  0.00000e+00 0.00000e+00 1.09511e+02 90.000  4.74734e+01 90.000  1.0000 
1 1 1 11 0  1  o 5  5.06669e+01 1.42941e+01 1.36092e+01 315.000 4.00458e-02  -4.00458e-02 0.00000e+00 0.00000e+00 6.32638e+00 135.000 1.99356e+01 135.000 0.0566 
1 1 1 11 0  2  o 2  1.29914e+02 5.58329e+00 2.69596e+01 180.000 -2.92426e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.68926e+01 180.000 3.99330e+01 180.000 0.2844 
1 1 1 11 0  3  o 9  3.20561e+01 1.59228e+01 6.46650e+01 45.000  1.19212e-01  1.19212e-01  0.00000e+00 0.00000e+00 5.10669e+01 225.000 1.15732e+02 225.000 0.1670 
1 1 1 11 0  4  o 6  2.43659e+02 4.29700e+00 2.79436e+02 270.000 -3.38022e-16 -5.52032e+00 0.00000e+00 0.00000e+00 3.39230e+02 270.000 5.97946e+01 270.000 1.0000 
1 1 1 11 0  5  o 12 2.12185e+02 4.70423e+00 2.43592e+02 315.000 2.94462e+00  -2.94462e+00 0.00000e+00 0.00000e+00 2.94708e+02 315.000 5.11162e+01 315.000 0.9995 
1 1 1 11 0  6  o 9  1.84898e+02 4.66270e+00 3.00798e+02 0.000   4.44944e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.68150e+02 0.000   1.32648e+02 180.000 0.9997 
1 1 1 11 0  7  o 13 9.26621e+01 7.43705e+00 1.26437e+02 45.000  6.55122e-01  6.55122e-01  0.00000e+00 0.00000e+00 4.48276e+01 45.000  8.16099e+01 225.000 0.7289 
1 1 1 11 0  8  o 7  5.33951e+02 5.43216e+00 7.26609e+02 90.000  1.86611e-15  3.04758e+01  0.00000e+00 0.00000e+00 6.26363e+02 90.000  1.00246e+02 270.000 1.0000 
1 1 1 11 0  9  o 14 2.11269e+02 4.49887e+00 3.90079e+00 135.000 -5.42861e-02 5.42861e-02  0.00000e+00 0.00000e+00 3.70871e+01 135.000 3.31864e+01 135.000 0.0766 
1 1 1 11 0  10 o 9  4.87820e+02 5.57560e+00 5.76033e+02 0.000   2.58206e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.58131e+02 0.000   8.20983e+01 0.000   1.0000 
1 1 1 11 0  11 o 6  1.48931e+02 5.70623e+00 2.32778e+02 225.000 -2.22221e+00 -2.22221e+00 0.00000e+00 0.00000e+00 1.42270e+02 225.000 9.05079e+01 45.000  0.9963 
1 1 1 11 0  12 o 11 2.62072e+02 4.70666e+00 2.52994e+02 270.000 -3.63255e-16 -5.93240e+00 0.00000e+00 0.00000e+00 4.08770e+02 270.000 1.55775e+02 270.000 1.0000 
1 1 1 11 0  13 f 0  2.68625e+02 4.71283e+00 3.73056e+02 135.000 -6.14766e+00 6.14766e+00  0.00000e+00 0.00000e+00 3.04534e+02 135.000 6.85217e+01 315.000 1.0000 
1 1 1 11 0  14 o 10 5.36272e+02 5.87378e+00 5.89932e+02 180.000 -2.69232e+01 0.00000e+00  0.00000e+00 0.00000e+00 7.61206e+02 180.000 1.71274e+02 180.000 1.0000 
1 1 1 11 0  15 o 15 3.56322e+02 4.53644e+00 4.47510e+02 45.000  8.10464e+00  8.10464e+00  0.00000e+00 0.00000e+00 4.49121e+02 45.000  1.61105e+00 45.000  1.0000 
1 1 1 11 0  16 o 17 3.47532e+02 4.78857e+00 2.86898e+02 90.000  4.30181e-16  7.02538e+00  0.00000e+00 0.00000e+00 5.86446e+02 90.000  2.99548e+02 90.000  1.0000 
1 1 1 11 0  17 o 11 4.95085e+02 5.24003e+00 7.32689e+02 135.000 -2.16655e+01 2.16655e+01  0.00000e+00 0.00000e+00 5.09684e+02 135.000 2.23005e+02 315.000 1.0000 
1 1 1 11 0  18 o 18 1.72471e+02 6.02979e+00 2.89553e+02 0.000   4.12766e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.42372e+02 0.000   1.47181e+02 180.000 0.9995 
1 1 1 11 0  19 o 12 3.46504e+02 5.12827e+00 1.44398e+02 45.000  2.43382e+00  2.43382e+00  0.00000e+00 0.00000e+00 7.20655e+02 45.000  5.76257e+02 45.000  0.9980 
1 1 1 11 0  20 o 3  3.62720e+02 7.99831e+00 3.00987e+02 270.000 -4.47602e-16 -7.30990e+00 0.00000e+00 0.00000e+00 6.04878e+02 270.000 3.03891e+02 270.000 1.0000 
1 1 1 11 0  21 o 16 2.23746e+02 4.79814e+00 1.02836e+02 315.000 1.41376e+00  -1.41376e+00 0.00000e+00 0.00000e+00 4.34877e+02 315.000 3.32041e+02 315.000 0.9640 
1 1 1 11 0  22 o 13 4.13475e+02 5.16478e+00 2.29607e+02 180.000 -7.72536e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.99283e+02 180.000 5.69676e+02 180.000 1.0000 
1 1 1 11 0  23 o 15 5.15234e+02 6.71375e+00 5.20905e+02 225.000 -1.49991e+01 -1.49991e+01 0.00000e+00 0.00000e+00 7.58715e+02 225.000 2.37809e+02 225.000 1.0000 
1 1 1 11 0  24 o 5  8.37269e+01 9.88334e+00 2.59675e+01 90.000  1.26265e-17  2.06207e-01  0.00000e+00 0.00000e+00 1.62283e+01 90.000  9.73921e+00 270.000 0.2033 
1 1 1 11 0  25 o 16 2.75996e+02 5.11346e+00 2.12601e+02 315.000 4.39146e+00  -4.39146e+00 0.00000e+00 0.00000e+00 4.70015e+02 315.000 2.57415e+02 315.000 1.0000 
1 1 1 11 0  26 o 1  2.30631e+02 6.06617e+00 3.23578e+02 0.000   7.68632e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.45590e+02 0.000   7.79875e+01 180.000 1.0000 
1 1 1 11 0  27 f 0  6.58157e+01 1.26074e+01 2.30404e+01 225.000 -1.06588e-01 -1.06588e-01 0.00000e+00 0.00000e+00 1.20405e+00 225.000 2.18363e+01 45.000  0.1496 
1 1 1 11 0  28 o 7  6.22351e+02 6.58554e+00 8.04720e+02 270.000 -3.21554e-15 -5.25137e+01 0.00000e+00 0.00000e+00 7.24024e+02 270.000 8.06965e+01 90.000  1.0000 
1 1 1 11 0  30 o 11 3.47051e+02 4.97982e+00 4.32511e+02 180.000 -1.77703e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.15729e+02 180.000 1.67818e+01 0.000   1.0000 
1 1 1 11 0  31 o 17 5.40813e+02 6.02754e+00 5.37866e+02 225.000 -2.70206e+01 -2.70206e+01 0.00000e+00 0.00000e+00 7.80483e+02 225.000 2.42617e+02 225.000 1.0000 
1 1 1 11 0  32 o 14 2.95301e+02 4.54903e+00 2.72984e+02 90.000  6.71423e-16  1.09652e+01  0.00000e+00 0.00000e+00 4.44923e+02 90.000  1.71940e+02 90.000  1.0000 
1 1 1 11 0  33 o 7  5.12280e+02 8.50055e+00 4.57971e+02 135.000 -2.55346e+01 2.55346e+01  0.00000e+00 0.00000e+00 7.83947e+02 135.000 3.25976e+02 135.000 1.0000 
1 1 1 11 0  34 o 13 1.41944e+02 5.83961e+00 7.14062e+01 180.000 -1.80107e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.53500e+02 180.000 1.82094e+02 180.000 0.9469 
1 1 1 11 0  35 o 3  1.67264e+02 5.38414e+00 1.42337e+02 225.000 -2.79056e+00 -2.79056e+00 0.00000e+00 0.00000e+00 2.60487e+02 225.000 1.18151e+02 225.000 0.9993 
1 1 1 11 0  37 o 16 4.20081e+02 6.15568e+00 4.48797e+02 315.000 2.65522e+01  -2.65522e+01 0.00000e+00 0.00000e+00 5.57377e+02 315.000 1.08580e+02 315.000 1.0000 
1 1 1 11 0  38 o 15 3.36901e+02 5.29715e+00 4.44465e+02 0.000   3.36921e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.59870e+02 0.000   8.45945e+01 180.000 1.0000 
1 1 1 11 0  39 o 17 2.61055e+02 6.02762e+00 4.08716e+02 225.000 -1.65080e+01 -1.65080e+01 0.00000e+00 0.00000e+00 2.12475e+02 225.000 1.96241e+02 45.000  1.0000 
1 1 1 11 0  40 o 13 2.96067e+02 5.26029e+00 3.83917e+02 270.000 -1.50995e-15 -2.46593e+01 0.00000e+00 0.00000e+00 3.18187e+02 270.000 6.57293e+01 90.000  1.0000 
1 1 1 11 0  41 o 3  7.07712e+01 1.40587e+01 7.51467e+01 315.000 8.57780e-01  -8.57780e-01 0.00000e+00 0.00000e+00 6.49374e+01 315.000 1.02092e+01 135.000 0.8376 
1 1 1 11 0  42 o 15 9.20621e+01 8.88142e+00 9.78764e+01 180.000 -2.24956e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.14137e+02 180.000 1.62601e+01 180.000 0.9780 
1 1 1 11 0  43 o 3  3.69363e+01 1.74916e+01 8.60168e+00 45.000  6.79310e-02  6.79310e-02  0.00000e+00 0.00000e+00 3.02203e-01 225.000 8.90389e+00 225.000 0.0958 
1 1 1 11 0  44 o 9  3.12914e+01 1.66845e+01 5.41226e+01 270.000 -3.23602e-17 -5.28483e-01 0.00000e+00 0.00000e+00 1.87077e+01 90.000  7.28304e+01 90.000  0.4842 
1 1 1 11 0  45 o 1  1.88921e+01 1.27470e+01 1.90911e+01 135.000 -8.26417e-02 8.26417e-02  0.00000e+00 0.00000e+00 1.39734e+01 315.000 3.30644e+01 315.000 0.1163 
1 1 1 11 0  46 o 12 2.06343e+02 6.62681e+00 2.16749e+02 180.000 -1.67636e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.61808e+02 180.000 4.50592e+01 180.000 1.0000 
1 1 1 11 0  47 f 0  2.00413e+02 6.62388e+00 2.67102e+02 45.000  1.34505e+01  1.34505e+01  0.00000e+00 0.00000e+00 1.95842e+02 45.000  7.12603e+01 225.000 1.0000 
1 1 1 11 0  48 o 17 2.30534e+01 1.41464e+01 6.29584e+01 270.000 -3.30760e-17 -5.40172e-01 0.00000e+00 0.00000e+00 3.68062e+01 90.000  9.97646e+01 90.000  0.4931 
1 1 1 11 0  49 o 11 4.99865e+01 1.48272e+01 8.89690e+01 135.000 -1.40554e+00 1.40554e+00  0.00000e+00 0.00000e+00 2.13251e+01 135.000 6.76439e+01 315.000 0.9632 
1 1 1 11 0  50 o 5  1.10346e+02 5.86272e+00 1.40436e+02 0.000   7.53640e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.11278e+02 0.000   2.91582e+01 180.000 1.0000 
1 1 1 11 0  51 o 2  3.51549e+01 1.49166e+01 6.39576e+01 45.000  8.05224e-01  8.05224e-01  0.00000e+00 0.00000e+00 1.03545e+00 45.000  6.29222e+01 225.000 0.8140 
1 1 1 11 0  53 o 6  1.16285e+02 4.84913e+00 1.63143e+02 315.000 9.21954e+00  -9.21954e+00 0.00000e+00 0.00000e+00 9.86071e+01 315.000 6.45360e+01 135.000 1.0000 
1 1 1 11 0  54 o 11 6.77815e+01 1.61315e+01 3.39131e+01 180.000 -1.29889e+00 0.00000e+00  0.00000e+00 0.00000e+00 9.69126e+01 180.000 6.29994e+01 180.000 0.8614 
1 1 1 11 0  55 o 11 9.87085e+01 1.27928e+01 1.09478e+02 45.000  4.79710e+00  4.79710e+00  0.00000e+00 0.00000e+00 1.10647e+02 45.000  1.16818e+00 45.000  1.0000 
1 1 1 11 0  56 o 18 1.34800e+02 7.99959e+00 1.62644e+02 90.000  -1.51440e-06 1.73227e+01  0.00000e+00 0.00000e+00 1.36532e+02 90.000  2.61117e+01 270.000 1.0000 
1 1 1 11 0  57 o 2  6.53618e+01 1.79790e+01 1.92187e+01 135.000 -5.60591e-01 5.60591e-01  0.00000e+00 0.00000e+00 7.60566e+01 135.000 5.68379e+01 135.000 0.6600 
1 1 1 11 0  58 o 12 1.63771e+01 1.18829e+01 5.20401e+01 180.000 -6.95457e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.03921e+01 0.000   8.24322e+01 0.000   0.6015 
1 1 1 11 0  59 f 0  8.13195e+01 1.39375e+01 8.61609e+01 225.000 -3.80381e+00 -3.80381e+00 0.00000e+00 0.00000e+00 9.16462e+01 225.000 5.48530e+00 225.000 1.0000 
1 1 1 11 0  60 o 6  3.82702e+01 1.99640e+01 6.40367e+01 270.000 1.59932e-07  -1.82941e+00 0.00000e+00 0.00000e+00 1.50351e+01 270.000 4.90016e+01 90.000  0.9498 
1 1 1 11 0  61 o 4  1.23448e+02 9.99210e+00 1.26898e+02 315.000 1.22864e+01  -1.22864e+01 0.00000e+00 0.00000e+00 1.40255e+02 315.000 1.33578e+01 315.000 1.0000 
1 1 1 11 0  62 o 15 7.38258e+01 1.79080e+01 6.98316e+01 0.000   4.45495e+00  0.00000e+00  0.00000e+00 0.00000e+00 8.90462e+01 0.000   1.92147e+01 0.000   0.9997 
1 1 1 11 0  63 o 9  3.17300e+01 1.92611e+01 7.09226e+01 225.000 -1.44621e+00 -1.44621e+00 0.00000e+00 0.00000e+00 5.22234e+00 45.000  7.61450e+01 45.000  0.9671 
1 1 1 11 0  64 o 11 2.25723e+01 1.59773e+01 5.20266e+01 90.000  7.94820e-17  1.29804e+00  0.00000e+00 0.00000e+00 1.06324e+01 270.000 6.26590e+01 270.000 0.8612 
1 1 1 11 1  0  o 4  3.01421e+02 4.64602e+00 3.97374e+02 180.000 -9.99929e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.68615e+02 180.000 2.87587e+01 0.000   1.0000 
1 1 1 11 1  1  o 6  3.24671e+01 9.03077e+00 1.52705e+02 265.671 -6.15240e-02 -8.12745e-01 0.00000e+00 0.00000e+00 1.21596e+02 85.671  2.74301e+02 85.671  0.3771 
1 1 1 11 1  2  o 15 3.19808e+02 3.15645e+00 4.58700e+02 133.221 -1.63532e+01 1.74015e+01  0.00000e+00 0.00000e+00 3.36674e+02 133.221 1.22026e+02 313.221 0.9788 
1 1 1 11 1  3  o 5  5.30012e+02 3.81549e+00 6.49530e+02 12.612  5.44543e+01  1.21837e+01  0.00000e+00 0.00000e+00 6.84726e+02 12.612  3.51967e+01 12.612  0.9910 
1 1 1 11 1  4  o 13 1.15311e+02 4.30275e+00 1.47896e+02 128.165 -1.69891e+00 2.16163e+00  0.00000e+00 0.00000e+00 8.33243e+01 128.165 6.45721e+01 308.165 0.7896 
1 1 1 11 1  5  o 2  5.32507e+01 8.28364e+00 1.38994e+02 288.777 3.77995e-01  -1.11182e+00 0.00000e+00 0.00000e+00 7.07624e+01 108.777 2.09757e+02 108.777 0.5048 
1 1 1 11 1  6  o 14 1.26832e+02 4.06291e+00 2.29022e+02 140.594 -3.57350e+00 2.93592e+00  0.00000e+00 0.00000e+00 5.54241e+01 140.594 1.73598e+02 320.594 0.8839 
1 1 1 11 1  7  o 14 3.46775e+02 3.13749e+00 5.16907e+02 101.101 -5.45796e+00 2.78163e+01  0.00000e+00 0.00000e+00 3.46823e+02 101.101 1.70085e+02 281.101 0.9822 
1 1 1 11 1  8  o 15 2.73409e+02 3.04158e+00 4.53175e+02 33.505  1.61905e+01  1.07184e+01  0.00000e+00 0.00000e+00 2.21627e+02 33.505  2.31548e+02 213.505 0.9739 
1 1 1 11 1  9  o 19 3.84108e+02 3.25900e+00 5.43449e+02 218.383 -3.03630e+01 -2.40511e+01 0.00000e+00 0.00000e+00 4.16625e+02 218.383 1.26824e+02 38.383  0.9870 
1 1 1 11 1  10 o 8  1.94846e+02 3.76784e+00 1.37455e+02 187.672 -4.86087e+00 -6.54805e-01 0.00000e+00 0.00000e+00 3.01890e+02 187.672 1.64434e+02 187.672 0.8911 
1 1 1 11 1  11 o 8  4.76836e+02 3.86056e+00 4.89173e+02 281.042 8.07206e+00  -4.13666e+01 0.00000e+00 0.00000e+00 7.01894e+02 281.042 2.12722e+02 281.042 0.9881 
1 1 1 11 1  12 o 6  4.38491e+02 3.71327e+00 4.12549e+02 128.887 -1.99504e+01 2.47366e+01  0.00000e+00 0.00000e+00 6.77303e+02 128.887 2.64754e+02 128.887 0.9841 
1 1 1 11 1  13 o 6  2.90846e+02 3.46642e+00 1.96403e+02 42.929  7.22685e+00  6.72242e+00  0.00000e+00 0.00000e+00 4.99116e+02 42.929  3.02713e+02 42.929  0.9479 
1 1 1 11 1  14 o 2  6.08391e+02 4.52487e+00 7.20048e+02 251.627 -2.33955e+01 -7.04384e+01 0.00000e+00 0.00000e+00 8.02651e+02 251.627 8.26030e+01 251.627 0.9932 
1 1 1 11 1  15 o 2  7.89304e+02 5.74471e+00 9.10816e+02 61.462  4.89863e+01  9.00777e+01  0.00000e+00 0.00000e+00 1.06592e+03 61.462  1.55109e+02 61.462  0.9951 
1 1 1 11 1  16 o 16 3.02622e+02 3.22396e+00 4.70790e+02 242.372 -9.27774e+00 -1.77259e+01 0.00000e+00 0.00000e+00 2.70545e+02 242.372 2.00246e+02 62.372  0.9747 
1 1 1 11 1  17 o 19 4.39543e+02 3.69925e+00 5.89965e+02 4.251   4.35326e+01  3.23546e+00  0.00000e+00 0.00000e+00 5.00478e+02 4.251   8.94871e+01 184.251 0.9885 
1 1 1 11 1  18 o 6  2.79440e+02 3.30912e+00 4.04708e+02 57.898  9.91575e+00  1.58059e+01  0.00000e+00 0.00000e+00 2.76532e+02 57.898  1.28176e+02 237.898 0.9728 
1 1 1 11 1  19 o 15 4.63625e+02 3.70452e+00 3.90368e+02 27.551  2.19938e+01  1.14741e+01  0.00000e+00 0.00000e+00 7.45992e+02 27.551  3.55624e+02 27.551  0.9796 
1 1 1 11 1  20 o 6  3.83758e+02 3.62481e+00 5.87896e+02 342.380 2.87836e+01  -9.14146e+00 0.00000e+00 0.00000e+00 3.54642e+02 342.380 2.33254e+02 162.380 0.9833 
1 1 1 11 1  21 o 10 6.06165e+02 4.69231e+00 8.73620e+02 215.813 -7.41864e+01 -5.35304e+01 0.00000e+00 0.00000e+00 6.29489e+02 215.813 2.44132e+02 35.813  0.9945 
1 1 1 11 1  22 o 17 1.20511e+02 4.80334e+00 2.52111e+02 81.042  7.65619e-01  4.85704e+00  0.00000e+00 0.00000e+00 1.52452e+01 81.042  2.36866e+02 261.042 0.8914 
1 1 1 11 1  23 o 17 6.16237e+02 4.97326e+00 7.76328e+02 174.434 -7.49681e+01 7.30618e+00  0.00000e+00 0.00000e+00 7.44163e+02 174.434 3.21645e+01 354.434 0.9933 
1 1 1 11 1  24 f 0  2.28636e+02 3.57828e+00 3.27961e+02 106.836 -4.14056e+00 1.36830e+01  0.00000e+00 0.00000e+00 2.18606e+02 106.836 1.09355e+02 286.836 0.9644 
1 1 1 11 1  25 o 19 3.67184e+02 3.67896e+00 4.01399e+02 102.691 -6.83341e+00 3.03435e+01  0.00000e+00 0.00000e+00 4.92166e+02 102.691 9.07666e+01 102.691 0.9838 
1 1 1 11 1  26 o 14 2.09297e+02 3.71468e+00 2.32790e+02 347.464 9.85944e+00  -2.19225e+00 0.00000e+00 0.00000e+00 2.57519e+02 347.464 2.47286e+01 347.464 0.9491 
1 1 1 11 1  27 o 6  3.27504e+02 3.65893e+00 3.70646e+02 282.165 5.15325e+00  -2.39045e+01 0.00000e+00 0.00000e+00 4.19194e+02 282.165 4.85482e+01 282.165 0.9793 
1 1 1 11 1  28 o 5  2.42204e+02 3.51748e+00 1.45069e+02 322.133 5.81416e+00  -4.52090e+00 0.00000e+00 0.00000e+00 4.07954e+02 322.133 2.62884e+02 322.133 0.9294 
1 1 1 11 1  30 o 3  3.04214e+02 3.84219e+00 2.27812e+02 148.785 -1.39840e+01 8.47416e+00  0.00000e+00 0.00000e+00 4.92724e+02 148.785 2.64913e+02 148.785 0.9689 
1 1 1 11 1  31 o 1  3.53769e+02 3.45276e+00 3.27640e+02 96.219  -3.29649e+00 3.02527e+01  0.00000e+00 0.00000e+00 5.20578e+02 96.219  1.92938e+02 96.219  0.9834 
1 1 1 11 1  32 o 14 1.05770e+02 5.31664e+00 2.41666e+02 9.845   6.79289e+00  1.17883e+00  0.00000e+00 0.00000e+00 3.95071e+00 189.845 2.45617e+02 189.845 0.9243 
1 1 1 11 1  33 o 6  5.52943e+02 4.20623e+00 6.20691e+02 311.791 7.07213e+01  -7.91213e+01 0.00000e+00 0.00000e+00 7.13663e+02 311.791 9.29725e+01 311.791 0.9953 
1 1 1 11 1  34 o 10 2.91169e+02 3.24615e+00 4.21453e+02 289.515 1.45749e+01  -4.11239e+01 0.00000e+00 0.00000e+00 2.74375e+02 289.515 1.47078e+02 109.515 0.9885 
1 1 1 11 1  35 o 6  1.74768e+02 3.68525e+00 1.39854e+02 271.271 1.79361e-01  -8.08488e+00 0.00000e+00 0.00000e+00 2.54439e+02 271.271 1.14586e+02 271.271 0.9360 
1 1 1 11 1  37 o 10 5.82306e+01 9.27037e+00 9.70425e+01 129.713 -1.39079e+00 1.67446e+00  0.00000e+00 0.00000e+00 4.05675e+00 129.713 9.29858e+01 309.713 0.7248 
1 1 1 11 1  38 o 14 2.23895e+02 3.83373e+00 2.23880e+02 152.664 -1.99917e+01 1.03345e+01  0.00000e+00 0.00000e+00 2.98720e+02 152.664 7.48402e+01 152.664 0.9775 
1 1 1 11 1  39 o 14 1.12493e+02 5.95140e+00 9.04554e+01 97.947  -6.08925e-01 4.36206e+00  0.00000e+00 0.00000e+00 1.44455e+02 97.947  5.39994e+01 97.947  0.8775 
1 1 1 11 1  40 o 14 2.07706e+02 3.95249e+00 2.64483e+02 148.103 -2.01774e+01 1.25580e+01  0.00000e+00 0.00000e+00 2.17671e+02 148.103 4.68119e+01 328.103 0.9787 
1 1 1 11 1  41 o 10 3.82464e+01 1.04468e+01 7.07903e+01 125.680 -7.15158e-01 9.95980e-01  0.00000e+00 0.00000e+00 2.37119e+01 305.680 9.45022e+01 305.680 0.5208 
1 1 1 11 1  42 o 12 1.22297e+02 5.36688e+00 8.93735e+01 315.462 3.90716e+00  -3.84470e+00 0.00000e+00 0.00000e+00 1.70840e+02 315.462 8.14662e+01 315.462 0.9035 
1 1 1 11 1  43 o 10 2.62056e+02 3.78971e+00 2.50903e+02 356.000 4.39176e+01  -3.07087e+00 0.00000e+00 0.00000e+00 3.56972e+02 356.000 1.06069e+02 356.000 0.9886 
1 1 1 11 1  44 o 7  1.12225e+02 4.47546e+00 6.95386e+01 281.508 1.06242e+00  -5.21806e+00 0.00000e+00 0.00000e+00 1.66678e+02 281.508 9.71393e+01 281.508 0.9004 
1 1 1 11 1  45 o 7  1.01718e+02 4.74464e+00 3.96092e+01 135.719 -2.00479e+00 1.95508e+00  0.00000e+00 0.00000e+00 1.48480e+02 135.719 1.08871e+02 135.719 0.7941 
1 1 1 11 1  46 o 15 1.08281e+02 4.46346e+00 7.64488e+01 203.212 -5.70418e+00 -2.44618e+00 0.00000e+00 0.00000e+00 1.53481e+02 203.212 7.70323e+01 203.212 0.9155 
1 1 1 11 1  47 o 17 4.55114e+01 9.09548e+00 6.51005e+01 148.866 -1.71414e+00 1.03542e+00  0.00000e+00 0.00000e+00 8.31121e+00 148.866 5.67892e+01 328.866 0.6982 
1 1 1 11 1  48 o 17 1.38004e+02 3.76909e+00 1.50403e+02 7.850   1.64944e+01  2.27403e+00  0.00000e+00 0.00000e+00 1.57434e+02 7.850   7.03129e+00 7.850   0.9695 
1 1 1 11 1  49 o 12 2.38282e+02 4.14181e+00 2.10798e+02 108.619 -1.58185e+01 4.69508e+01  0.00000e+00 0.00000e+00 3.29621e+02 108.619 1.18823e+02 108.619 0.9899 
1 1 1 11 1  50 o 18 1.37256e+02 3.71792e+00 1.42190e+02 318.180 1.41793e+01  -1.26867e+01 0.00000e+00 0.00000e+00 1.62610e+02 318.180 2.04207e+01 318.180 0.9734 
1 1 1 11 1  51 o 18 1.63035e+02 3.48301e+00 1.48368e+02 188.160 -2.73388e+01 -3.92022e+00 0.00000e+00 0.00000e+00 2.15207e+02 188.160 6.68391e+01 188.160 0.9817 
1 1 1 11 1  53 o 8  8.67919e+01 8.19616e+00 1.03695e+02 178.434 -1.13760e+01 3.11096e-01  0.00000e+00 0.00000e+00 8.29031e+01 178.434 2.07916e+01 358.433 0.9550 
1 1 1 11 1  54 o 14 2.89551e+01 9.02792e+00 3.90634e+01 162.658 -1.29866e+00 4.05530e-01  0.00000e+00 0.00000e+00 2.74658e+00 342.658 4.18100e+01 342.658 0.5597 
1 1 1 11 1  55 o 17 1.28890e+02 5.80072e+00 1.44028e+02 120.634 -1.27207e+01 2.14799e+01  0.00000e+00 0.00000e+00 1.37627e+02 120.634 6.40044e+00 300.634 0.9798 
1 1 1 11 1  56 o 12 9.06224e+01 9.85758e+00 9.87393e+01 329.923 1.09695e+01  -6.35285e+00 0.00000e+00 0.00000e+00 9.43120e+01 329.923 4.42723e+00 149.923 0.9597 
1 1 1 11 1  57 o 16 1.40926e+02 7.15426e+00 1.64740e+02 347.902 3.38291e+01  -7.25104e+00 0.00000e+00 0.00000e+00 1.42022e+02 347.902 2.27181e+01 167.902 0.9854 
1 1 1 11 1  58 o 3  3.79877e+01 1.10057e+01 1.45757e+01 261.248 -1.25948e-01 -8.18144e-01 0.00000e+00 0.00000e+00 1.73252e+01 261.248 2.74950e+00 261.248 0.3821 
1 1 1 11 1  59 o 3  8.45040e+01 9.39727e+00 9.15845e+01 354.261 1.19900e+01  -1.20495e+00 0.00000e+00 0.00000e+00 8.53774e+01 354.261 6.20707e+00 174.261 0.9576 
1 1 1 11 1  60 o 7  7.18987e+01 1.12412e+01 8.02249e+01 80.937  1.53739e+00  9.63778e+00  0.00000e+00 0.00000e+00 6.79624e+01 80.937  1.22625e+01 260.937 0.9473 
1 1 1 11 1  61 o 16 1.12389e+02 1.10930e+01 1.11122e+02 259.350 -4.35190e+00 -2.31423e+01 0.00000e+00 0.00000e+00 1.26912e+02 259.350 1.57901e+01 259.350 0.9785 
1 1 1 11 1  62 o 13 3.23351e+01 1.07007e+01 6.52231e+00 332.531 3.85796e-01  -2.00568e-01 0.00000e+00 0.00000e+00 8.26598e+00 332.531 1.74367e+00 332.531 0.2124 
1 1 1 11 1  63 o 2  5.01357e+01 1.29077e+01 4.74445e+01 51.462  2.79457e+00  3.50851e+00  0.00000e+00 0.00000e+00 4.70210e+01 51.462  4.23505e-01 231.462 0.8799 
1 1 1 11 1  64 o 19 6.83354e+01 1.49468e+01 6.63531e+01 243.865 -3.60090e+00 -7.33889e+00 0.00000e+00 0.00000e+00 6.99632e+01 243.865 3.61010e+00 243.865 0.9367 
1 1 1 11 2  0  o 9  1.75214e+02 4.78488e+00 1.82352e+02 0.000   2.57611e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.57975e+02 0.000   7.56231e+01 0.000   0.9885 
1 1 1 11 2  1  o 5  1.47976e+02 3.63327e+00 2.75451e+02 310.278 4.24501e+00  -5.00947e+00 0.00000e+00 0.00000e+00 7.07732e+01 310.278 2.04678e+02 130.278 0.9203 
1 1 1 11 2  2  o 3  1.56823e+02 3.57468e+00 1.16157e+02 73.470  8.33385e-01  2.80800e+00  0.00000e+00 0.00000e+00 2.04581e+02 73.470  8.84233e+01 73.470  0.8046 
1 1 1 11 2  3  o 12 1.53744e+02 3.60168e+00 2.12713e+02 166.147 -5.08898e+00 1.25498e+00  0.00000e+00 0.00000e+00 1.38425e+02 166.147 7.42878e+01 346.147 0.8987 
1 1 1 11 2  4  o 10 3.58630e+01 9.25177e+00 4.27813e+01 253.150 -6.99303e-02 -2.30897e-01 0.00000e+00 0.00000e+00 3.18697e+01 73.150  7.46510e+01 73.150  0.1198 
1 1 1 11 2  5  o 14 2.87467e+02 3.04189e+00 2.50588e+02 147.062 -9.59912e+00 6.21909e+00  0.00000e+00 0.00000e+00 4.46780e+02 147.062 1.96192e+02 147.062 0.9552 
1 1 1 11 2  6  o 2  4.23901e+02 3.38471e+00 6.18238e+02 155.052 -3.74560e+01 1.74245e+01  0.00000e+00 0.00000e+00 4.44686e+02 155.052 1.73552e+02 335.052 0.9878 
1 1 1 11 2  7  o 18 1.10198e+02 4.58293e+00 1.62253e+02 275.602 2.72444e-01  -2.77765e+00 0.00000e+00 0.00000e+00 5.95187e+01 275.602 1.02734e+02 95.602  0.7933 
1 1 1 11 2  8  o 12 2.88421e+02 3.07730e+00 2.37593e+02 150.999 -1.11184e+01 6.16333e+00  0.00000e+00 0.00000e+00 4.64272e+02 150.999 2.26679e+02 150.999 0.9598 
1 1 1 11 2  9  o 10 2.72682e+02 3.48554e+00 2.52147e+02 284.358 3.12624e+00  -1.22135e+01 0.00000e+00 0.00000e+00 4.10694e+02 284.358 1.58547e+02 284.358 0.9595 
1 1 1 11 2  10 o 15 2.24965e+02 3.59095e+00 2.71139e+02 1.778   1.10437e+01  3.42747e-01  0.00000e+00 0.00000e+00 2.71923e+02 1.778   7.84190e-01 1.778   0.9536 
1 1 1 11 2  11 o 4  3.99102e+02 3.69904e+00 5.52396e+02 128.042 -2.39509e+01 3.06091e+01  0.00000e+00 0.00000e+00 4.43905e+02 128.042 1.08492e+02 308.042 0.9871 
1 1 1 11 2  12 o 4  3.57208e+02 3.80071e+00 4.51118e+02 196.167 -2.68560e+01 -7.78588e+00 0.00000e+00 0.00000e+00 4.35115e+02 196.167 1.60025e+01 16.168  0.9820 
1 1 1 11 2  13 o 2  3.44393e+02 4.07101e+00 4.55366e+02 123.589 -1.48003e+01 2.22855e+01  0.00000e+00 0.00000e+00 3.97435e+02 123.589 5.79303e+01 303.589 0.9811 
1 1 1 11 2  14 o 6  2.70796e+02 3.18289e+00 4.39346e+02 217.604 -1.35968e+01 -1.04723e+01 0.00000e+00 0.00000e+00 2.23115e+02 217.604 2.16231e+02 37.604  0.9704 
1 1 1 11 2  15 o 3  1.20533e+02 4.44597e+00 2.58099e+02 358.671 4.39656e+00  -1.02011e-01 0.00000e+00 0.00000e+00 8.12374e+00 358.671 2.49976e+02 178.671 0.8772 
1 1 1 11 2  16 o 2  4.54246e+02 3.64864e+00 6.14905e+02 84.187  4.80727e+00  4.72164e+01  0.00000e+00 0.00000e+00 5.15163e+02 84.187  9.97425e+01 264.187 0.9894 
1 1 1 11 2  17 f 0  2.46053e+02 3.22409e+00 1.59389e+02 176.619 -6.52619e+00 3.85546e-01  0.00000e+00 0.00000e+00 4.08972e+02 176.619 2.49583e+02 176.619 0.9200 
1 1 1 11 2  18 o 13 5.63794e+01 8.69155e+00 6.74567e+01 131.703 -3.47249e-01 3.89703e-01  0.00000e+00 0.00000e+00 3.17695e+01 311.703 9.92262e+01 311.703 0.2525 
1 1 1 11 2  19 o 4  3.00841e+02 3.34250e+00 3.25581e+02 140.757 -1.02896e+01 8.40502e+00  0.00000e+00 0.00000e+00 3.98523e+02 140.757 7.29428e+01 140.757 0.9616 
1 1 1 11 2  20 o 19 3.24056e+02 3.22342e+00 4.37681e+02 97.849  -3.40406e+00 2.46929e+01  0.00000e+00 0.00000e+00 3.55672e+02 97.849  8.20082e+01 277.849 0.9797 
1 1 1 11 2  21 o 14 4.49411e+02 3.74337e+00 5.98836e+02 326.446 3.83864e+01  -2.54598e+01 0.00000e+00 0.00000e+00 5.09953e+02 326.446 8.88826e+01 146.446 0.9891 
1 1 1 11 2  22 o 19 2.11401e+02 4.00880e+00 3.50813e+02 42.771  8.72838e+00  8.07432e+00  0.00000e+00 0.00000e+00 1.52891e+02 42.771  1.97921e+02 222.771 0.9570 
1 1 1 11 2  23 o 9  1.99582e+02 3.76554e+00 3.74719e+02 116.763 -6.53048e+00 1.29488e+01  0.00000e+00 0.00000e+00 1.03822e+02 116.763 2.70898e+02 296.763 0.9649 
1 1 1 11 2  24 f 0  3.10138e+02 3.57698e+00 5.39778e+02 339.565 2.96043e+01  -1.10301e+01 0.00000e+00 0.00000e+00 2.17077e+02 339.565 3.22701e+02 159.565 0.9840 
1 1 1 11 2  25 o 18 2.27220e+02 3.49719e+00 2.39956e+02 249.493 -3.99683e+00 -1.06859e+01 0.00000e+00 0.00000e+00 2.97110e+02 249.493 5.71542e+01 249.493 0.9551 
1 1 1 11 2  26 o 7  2.22015e+02 3.58068e+00 2.36004e+02 328.271 9.15301e+00  -5.65948e+00 0.00000e+00 0.00000e+00 2.86083e+02 328.271 5.00788e+01 328.271 0.9523 
1 1 1 11 2  27 o 9  2.55263e+02 3.56803e+00 3.13439e+02 284.532 4.28858e+00  -1.65450e+01 0.00000e+00 0.00000e+00 2.96753e+02 284.532 1.66858e+01 104.532 0.9703 
1 1 1 11 2  28 o 18 4.94454e+02 4.08260e+00 4.60984e+02 290.338 1.64460e+01  -4.43676e+01 0.00000e+00 0.00000e+00 7.41373e+02 290.338 2.80388e+02 290.338 0.9894 
1 1 1 11 2  29 o 7  1.37053e+02 5.22032e+00 1.66990e+02 154.984 -4.64460e+00 2.16735e+00  0.00000e+00 0.00000e+00 1.34155e+02 154.984 3.28346e+01 334.984 0.8962 
1 1 1 11 2  30 o 7  5.87030e+02 4.68313e+00 6.54901e+02 141.588 -7.03265e+01 5.57646e+01  0.00000e+00 0.00000e+00 7.72679e+02 141.588 1.17778e+02 141.588 0.9944 
1 1 1 11 2  31 o 1  5.22341e+02 4.10802e+00 5.70199e+02 308.605 4.83218e+01  -6.05218e+01 0.00000e+00 0.00000e+00 6.95594e+02 308.605 1.25395e+02 308.605 0.9935 
1 1 1 11 2  32 o 16 2.54341e+02 1.28172e+01 3.48507e+02 18.125  2.15861e+01  7.06600e+00  0.00000e+00 0.00000e+00 2.56396e+02 18.125  9.21113e+01 198.125 0.9777 
1 1 1 11 2  33 o 18 1.23951e+02 5.33406e+00 1.20679e+02 115.628 -1.97776e+00 4.12277e+00  0.00000e+00 0.00000e+00 1.44635e+02 115.628 2.39562e+01 115.628 0.8824 
1 1 1 11 2  34 o 2  8.19852e+01 7.50858e+00 1.00555e+02 215.433 -2.32584e+00 -1.65493e+00 0.00000e+00 0.00000e+00 5.78096e+01 215.433 4.27449e+01 35.433  0.7986 
1 1 1 11 2  35 f 0  5.36292e+02 4.49160e+00 5.79120e+02 23.460  9.33529e+01  4.05138e+01  0.00000e+00 0.00000e+00 7.07769e+02 23.460  1.28649e+02 23.460  0.9951 
1 1 1 11 2  37 f 0  1.91027e+02 3.89717e+00 1.73576e+02 279.793 2.23132e+00  -1.29275e+01 0.00000e+00 0.00000e+00 2.66419e+02 279.793 9.28425e+01 279.793 0.9611 
1 1 1 11 2  38 o 8  1.32923e+02 5.35267e+00 9.98319e+01 309.261 3.72082e+00  -4.55231e+00 0.00000e+00 0.00000e+00 1.89259e+02 309.261 8.94267e+01 309.261 0.9104 
1 1 1 11 2  39 o 9  3.00796e+02 3.58889e+00 2.84206e+02 137.812 -2.75694e+01 2.49882e+01  0.00000e+00 0.00000e+00 4.22265e+02 137.812 1.38059e+02 137.812 0.9865 
1 1 1 11 2  40 o 15 3.49702e+01 1.02313e+01 5.35793e+01 260.748 -1.39691e-01 -8.57543e-01 0.00000e+00 0.00000e+00 2.05549e+01 80.748  7.41343e+01 80.748  0.3980 
1 1 1 11 2  41 o 19 2.52560e+02 3.34090e+00 2.96987e+02 37.419  3.29393e+01  2.52016e+01  0.00000e+00 0.00000e+00 2.92949e+02 37.419  4.03807e+00 217.419 0.9879 
1 1 1 11 2  42 o 7  2.55549e+02 3.36928e+00 3.57890e+02 78.937  8.84300e+00  4.52286e+01  0.00000e+00 0.00000e+00 2.37630e+02 78.937  1.20260e+02 258.937 0.9891 
1 1 1 11 2  43 o 18 4.49496e+01 9.70363e+00 7.44797e+01 135.155 -1.48844e+00 1.48043e+00  0.00000e+00 0.00000e+00 7.98723e-01 135.155 7.36810e+01 315.155 0.7134 
1 1 1 11 2  44 o 16 9.03776e+01 6.48275e+00 1.41584e+02 168.193 -8.53814e+00 1.78472e+00  0.00000e+00 0.00000e+00 5.72645e+01 168.193 8.43197e+01 348.193 0.9408 
1 1 1 11 2  45 o 17 1.49816e+02 4.21833e+00 1.27602e+02 116.400 -5.90217e+00 1.18901e+01  0.00000e+00 0.00000e+00 2.08006e+02 116.400 8.04036e+01 116.400 0.9616 
1 1 1 11 2  46 o 18 2.96749e+02 3.57788e+00 3.67538e+02 256.335 -1.93464e+01 -7.95740e+01 0.00000e+00 0.00000e+00 3.16867e+02 256.335 5.06709e+01 76.335  0.9939 
1 1 1 11 2  47 o 5  5.98040e+01 8.53833e+00 6.13468e+01 14.812  3.04832e+00  8.06099e-01  0.00000e+00 0.00000e+00 5.20923e+01 14.812  9.25457e+00 194.812 0.8207 
1 1 1 11 2  48 o 14 4.51543e+01 8.95912e+00 1.02527e+01 340.304 3.28150e-01  -1.17470e-01 0.00000e+00 0.00000e+00 7.59090e+00 340.304 2.66180e+00 160.304 0.1717 
1 1 1 11 2  49 o 13 1.72986e+02 3.58592e+00 1.74048e+02 283.814 7.09552e+00  -2.88566e+01 0.00000e+00 0.00000e+00 2.15742e+02 283.814 4.16942e+01 283.814 0.9830 
1 1 1 11 2  50 o 10 1.04976e+02 4.03293e+00 6.84644e+01 53.842  4.10525e+00  5.61773e+00  0.00000e+00 0.00000e+00 1.53181e+02 53.842  8.47166e+01 53.842  0.9251 
1 1 1 11 2  51 o 5  1.11414e+02 4.90559e+00 1.06590e+02 191.315 -1.30413e+01 -2.60938e+00 0.00000e+00 0.00000e+00 1.36887e+02 191.315 3.02977e+01 191.315 0.9616 
1 1 1 11 2  53 o 1  4.40658e+01 1.02362e+01 4.81272e+01 108.418 -8.25477e-01 2.47888e+00  0.00000e+00 0.00000e+00 2.89589e+01 108.418 1.91682e+01 288.418 0.7767 
1 1 1 11 2  54 o 9  9.81493e+01 6.96892e+00 1.17564e+02 9.957   1.42538e+01  2.50226e+00  0.00000e+00 0.00000e+00 9.47275e+01 9.957   2.28363e+01 189.957 0.9648 
1 1 1 11 2  55 o 3  6.75759e+01 8.87938e+00 1.33850e+01 67.388  4.56886e-01  1.09694e+00  0.00000e+00 0.00000e+00 6.33850e+01 67.388  4.99999e+01 67.388  0.5091 
1 1 1 11 2  56 o 16 1.00574e+02 6.14125e+00 1.24465e+02 15.784  1.87612e+01  5.30333e+00  0.00000e+00 0.00000e+00 9.30715e+01 15.784  3.13935e+01 195.784 0.9740 
1 1 1 11 2  57 o 3  1.09233e+02 8.32809e+00 1.23356e+02 186.284 -1.93165e+01 -2.12695e+00 0.00000e+00 0.00000e+00 1.11740e+02 186.284 1.16164e+01 6.284   0.9739 
1 1 1 11 2  58 o 7  1.65529e+02 5.17189e+00 1.23309e+02 139.728 -2.73746e+01 2.31920e+01  0.00000e+00 0.00000e+00 2.35569e+02 139.728 1.12261e+02 139.728 0.9860 
1 1 1 11 2  59 o 5  6.84802e+01 1.17973e+01 6.82539e+01 245.748 -2.74338e+00 -6.08959e+00 0.00000e+00 0.00000e+00 6.98495e+01 245.748 1.59561e+00 245.748 0.9218 
1 1 1 11 2  60 o 3  4.35314e+01 1.21596e+01 9.66876e+00 307.203 4.13155e-01  -5.44252e-01 0.00000e+00 0.00000e+00 2.09506e+01 307.203 1.12818e+01 307.203 0.3231 
1 1 1 11 2  61 o 1  5.82288e+01 1.24801e+01 5.56956e+01 52.673  3.46766e+00  4.54759e+00  0.00000e+00 0.00000e+00 5.87583e+01 52.673  3.06274e+00 52.673  0.9078 
1 1 1 11 2  62 o 16 4.08385e+01 1.23085e+01 2.55507e+01 7.213   1.96788e+00  2.49057e-01  0.00000e+00 0.00000e+00 3.55873e+01 7.213   1.00366e+01 7.213   0.6951 
1 1 1 11 2  63 o 3  3.38830e+01 1.09295e+01 3.92871e+01 9.302   2.69808e+00  4.41927e-01  0.00000e+00 0.00000e+00 1.79279e+01 9.302   2.13592e+01 189.302 0.7882 
1 1 1 11 3  0  o 13 2.85003e+02 4.33777e+00 3.48654e+02 180.000 -7.86625e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.76436e+02 180.000 2.77821e+01 180.000 1.0000 
1 1 1 11 3  1  o 16 3.67347e+02 3.21449e+00 5.13787e+02 23.321  2.74191e+01  1.18202e+01  0.00000e+00 0.00000e+00 4.04974e+02 23.321  1.08814e+02 203.321 0.9831 
1 1 1 11 3  2  o 9  2.93469e+02 3.20493e+00 5.03379e+02 129.135 -1.47232e+01 1.80942e+01  0.00000e+00 0.00000e+00 2.26942e+02 129.135 2.76437e+02 309.135 0.9783 
1 1 1 11 3  3  o 14 5.27123e+02 3.82780e+00 6.05171e+02 246.357 -2.01220e+01 -4.59644e+01 0.00000e+00 0.00000e+00 7.21961e+02 246.357 1.16790e+02 246.357 0.9900 
1 1 1 11 3  4  o 3  3.04622e+02 3.09785e+00 2.25739e+02 165.166 -1.04220e+01 2.76033e+00  0.00000e+00 0.00000e+00 5.11889e+02 165.166 2.86150e+02 165.166 0.9524 
1 1 1 11 3  5  o 18 2.20296e+02 3.23189e+00 3.02979e+02 104.360 -3.08902e+00 1.20656e+01  0.00000e+00 0.00000e+00 2.33914e+02 104.360 6.90642e+01 284.360 0.9590 
1 1 1 11 3  6  o 18 3.24105e+02 3.12911e+00 5.56177e+02 32.672  2.81153e+01  1.80304e+01  0.00000e+00 0.00000e+00 2.54695e+02 32.672  3.01483e+02 212.672 0.9849 
1 1 1 11 3  7  o 8  2.13875e+02 3.48776e+00 2.73266e+02 348.803 1.05284e+01  -2.08408e+00 0.00000e+00 0.00000e+00 2.43765e+02 348.803 2.95009e+01 168.803 0.9522 
1 1 1 11 3  8  o 15 2.56565e+02 3.40939e+00 2.47682e+02 326.348 9.62337e+00  -6.40630e+00 0.00000e+00 0.00000e+00 3.74436e+02 326.348 1.26754e+02 326.348 0.9557 
1 1 1 11 3  9  o 14 6.99174e+01 8.17083e+00 2.37769e+02 29.104  2.58228e+00  1.43753e+00  0.00000e+00 0.00000e+00 9.47851e+01 209.104 3.32555e+02 209.104 0.8066 
1 1 1 11 3  10 o 5  4.24048e+02 3.94253e+00 4.89935e+02 283.131 8.26688e+00  -3.54373e+01 0.00000e+00 0.00000e+00 5.69397e+02 283.131 7.94616e+01 283.131 0.9862 
1 1 1 11 3  11 o 6  3.73067e+02 3.59982e+00 4.56441e+02 197.645 -2.80391e+01 -8.91897e+00 0.00000e+00 0.00000e+00 4.71570e+02 197.645 1.51291e+01 197.645 0.9829 
1 1 1 11 3  12 o 4  1.33243e+02 4.28369e+00 1.51680e+02 58.694  1.78525e+00  2.93554e+00  0.00000e+00 0.00000e+00 1.30527e+02 58.694  2.11534e+01 238.694 0.8377 
1 1 1 11 3  13 o 17 3.23164e+02 3.37798e+00 3.86278e+02 228.265 -1.19638e+01 -1.34114e+01 0.00000e+00 0.00000e+00 4.06885e+02 228.265 2.06066e+01 228.265 0.9718 
1 1 1 11 3  14 o 9  3.31907e+02 3.26819e+00 6.32931e+02 358.099 2.97178e+01  -9.86160e-01 0.00000e+00 0.00000e+00 1.90177e+02 358.099 4.42755e+02 178.099 0.9830 
1 1 1 11 3  15 o 19 1.93919e+02 3.49872e+00 3.08857e+02 31.720  8.66670e+00  5.35693e+00  0.00000e+00 0.00000e+00 1.55102e+02 31.720  1.53755e+02 211.720 0.9496 
1 1 1 11 3  16 o 16 4.82196e+02 3.69554e+00 7.48617e+02 250.907 -1.97120e+01 -5.69477e+01 0.00000e+00 0.00000e+00 4.54578e+02 250.907 2.94039e+02 70.907  0.9917 
1 1 1 11 3  17 o 12 1.81462e+02 3.50381e+00 1.91271e+02 146.226 -4.01691e+00 2.68642e+00  0.00000e+00 0.00000e+00 2.14224e+02 146.226 2.29529e+01 146.226 0.8893 
1 1 1 11 3  18 o 11 2.08690e+02 3.51244e+00 2.15270e+02 46.489  4.21396e+00  4.43894e+00  0.00000e+00 0.00000e+00 2.63373e+02 46.489  4.81035e+01 46.489  0.9142 
1 1 1 11 3  19 o 15 3.37344e+02 3.45322e+00 3.36627e+02 333.731 1.79975e+01  -8.88274e+00 0.00000e+00 0.00000e+00 4.87037e+02 333.731 1.50410e+02 333.731 0.9748 
1 1 1 11 3  20 o 3  3.85681e+02 3.69183e+00 5.07556e+02 355.068 3.36211e+01  -2.90097e+00 0.00000e+00 0.00000e+00 4.42491e+02 355.068 6.50652e+01 175.068 0.9851 
1 1 1 11 3  21 o 14 4.01142e+02 4.02708e+00 4.34929e+02 345.453 2.72983e+01  -7.08380e+00 0.00000e+00 0.00000e+00 5.48489e+02 345.453 1.13560e+02 345.453 0.9821 
1 1 1 11 3  22 o 12 3.91423e+02 4.02174e+00 4.94666e+02 94.551  -2.42004e+00 3.04037e+01  0.00000e+00 0.00000e+00 4.64474e+02 94.551  3.01926e+01 274.551 0.9835 
1 1 1 11 3  23 o 6  2.83650e+02 3.74843e+00 3.44387e+02 127.087 -1.12280e+01 1.48531e+01  0.00000e+00 0.00000e+00 3.41768e+02 127.087 2.61876e+00 307.087 0.9728 
1 1 1 11 3  24 o 18 2.48829e+02 3.52198e+00 3.08364e+02 179.117 -1.62193e+01 2.50109e-01  0.00000e+00 0.00000e+00 2.89810e+02 179.117 1.85546e+01 359.116 0.9687 
1 1 1 11 3  25 o 4  6.73904e+02 4.95090e+00 7.95029e+02 121.599 -5.81782e+01 9.45694e+01  0.00000e+00 0.00000e+00 8.66344e+02 121.599 7.13155e+01 121.599 0.9955 
1 1 1 11 3  26 f 0  5.24552e+02 4.29436e+00 5.88275e+02 284.493 1.55929e+01  -6.03222e+01 0.00000e+00 0.00000e+00 6.97464e+02 284.493 1.09189e+02 284.493 0.9919 
1 1 1 11 3  27 o 13 4.64714e+02 4.05744e+00 4.37734e+02 193.281 -4.16430e+01 -9.82931e+00 0.00000e+00 0.00000e+00 6.94497e+02 193.281 2.56763e+02 193.281 0.9882 
1 1 1 11 3  29 o 9  5.08765e+02 4.66723e+00 5.67842e+02 189.694 -6.74887e+01 -1.15292e+01 0.00000e+00 0.00000e+00 6.71267e+02 189.694 1.03424e+02 189.694 0.9927 
1 1 1 11 3  30 o 5  3.35836e+02 4.16172e+00 3.47238e+02 67.031  1.20147e+01  2.83472e+01  0.00000e+00 0.00000e+00 4.61183e+02 67.031  1.13945e+02 67.031  0.9836 
1 1 1 11 3  31 o 2  2.21702e+02 4.08491e+00 1.78982e+02 32.704  9.11489e+00  5.85264e+00  0.00000e+00 0.00000e+00 3.36539e+02 32.704  1.57557e+02 32.704  0.9527 
1 1 1 11 3  33 o 12 1.71073e+02 4.14240e+00 1.96545e+02 323.696 8.21684e+00  -6.03680e+00 0.00000e+00 0.00000e+00 1.97794e+02 323.696 1.24874e+00 323.696 0.9496 
1 1 1 11 3  34 o 9  2.66238e+02 4.36043e+00 3.56832e+02 224.792 -2.34408e+01 -2.32712e+01 0.00000e+00 0.00000e+00 2.77737e+02 224.792 7.90943e+01 44.792  0.9847 
1 1 1 11 3  35 o 11 2.11423e+02 3.90942e+00 2.10548e+02 320.380 1.11261e+01  -9.21089e+00 0.00000e+00 0.00000e+00 2.81666e+02 320.380 7.11180e+01 320.380 0.9647 
1 1 1 11 3  36 o 6  1.17422e+02 6.22647e+00 1.72227e+02 2.601   8.04420e+00  3.65440e-01  0.00000e+00 0.00000e+00 9.20980e+01 2.601   8.01286e+01 182.601 0.9357 
1 1 1 11 3  37 o 7  1.05988e+02 5.59220e+00 1.09359e+02 217.613 -4.13211e+00 -3.18363e+00 0.00000e+00 0.00000e+00 1.18944e+02 217.613 9.58525e+00 217.613 0.8982 
1 1 1 11 3  38 o 13 3.49148e+02 3.62790e+00 3.99601e+02 81.409  9.24011e+00  6.11617e+01  0.00000e+00 0.00000e+00 4.28266e+02 81.409  2.86657e+01 81.409  0.9919 
1 1 1 11 3  39 o 4  2.03651e+02 4.61620e+00 1.98763e+02 17.936  1.68300e+01  5.44767e+00  0.00000e+00 0.00000e+00 2.72532e+02 17.936  7.37691e+01 17.936  0.9713 
1 1 1 11 3  40 o 19 1.29561e+02 6.24766e+00 1.81013e+02 257.663 -2.38831e+00 -1.09202e+01 0.00000e+00 0.00000e+00 1.12526e+02 257.663 6.84871e+01 77.663  0.9542 
1 1 1 11 3  41 o 15 2.17055e+02 3.83296e+00 2.11935e+02 37.755  1.98836e+01  1.53984e+01  0.00000e+00 0.00000e+00 2.91343e+02 37.755  7.94078e+01 37.755  0.9799 
1 1 1 11 3  42 o 3  1.44410e+02 4.03409e+00 1.50167e+02 307.640 6.59232e+00  -8.54781e+00 0.00000e+00 0.00000e+00 1.74139e+02 307.640 2.39725e+01 307.640 0.9525 
1 1 1 11 3  43 o 10 9.23616e+01 5.42217e+00 7.72396e+01 265.082 -4.20066e-01 -4.88218e+00 0.00000e+00 0.00000e+00 1.16082e+02 265.082 3.88424e+01 265.082 0.8910 
1 1 1 11 3  44 o 13 9.60933e+01 5.22395e+00 1.35024e+02 19.225  8.38281e+00  2.92335e+00  0.00000e+00 0.00000e+00 7.67921e+01 19.225  5.82319e+01 199.225 0.9419 
1 1 1 11 3  45 o 15 9.83952e+01 4.90846e+00 1.12205e+02 319.115 5.72133e+00  -4.95339e+00 0.00000e+00 0.00000e+00 1.01445e+02 319.115 1.07606e+01 139.115 0.9314 
1 1 1 11 3  46 o 9  6.56297e+01 9.07675e+00 1.27561e+02 213.723 -4.77581e+00 -3.18786e+00 0.00000e+00 0.00000e+00 1.08465e+01 213.723 1.16715e+02 33.723  0.9082 
1 1 1 11 3  47 o 17 2.48319e+02 3.67496e+00 2.73156e+02 117.227 -2.81382e+01 5.46865e+01  0.00000e+00 0.00000e+00 2.96496e+02 117.227 2.33401e+01 117.227 0.9918 
1 1 1 11 3  48 o 8  1.00578e+02 4.98995e+00 1.25692e+02 212.440 -8.37486e+00 -5.32301e+00 0.00000e+00 0.00000e+00 9.39799e+01 212.440 3.17125e+01 32.440  0.9482 
1 1 1 11 3  49 o 4  1.41139e+02 4.64704e+00 1.67444e+02 290.776 8.53834e+00  -2.25055e+01 0.00000e+00 0.00000e+00 1.49508e+02 290.776 1.79359e+01 110.776 0.9790 
1 1 1 11 3  50 f 0  3.55478e+01 9.78543e+00 4.24562e+01 158.381 -1.24044e+00 4.91599e-01  0.00000e+00 0.00000e+00 2.39703e+00 158.381 4.00591e+01 338.381 0.5524 
1 1 1 11 3  51 o 5  1.19129e+02 5.01294e+00 1.60959e+02 281.093 4.43382e+00  -2.26136e+01 0.00000e+00 0.00000e+00 1.04012e+02 281.093 5.69465e+01 101.093 0.9781 
1 1 1 11 3  52 o 19 3.74317e+01 8.68432e+00 2.49015e+01 319.180 6.23973e-01  -5.38982e-01 0.00000e+00 0.00000e+00 7.36882e+00 319.180 1.75327e+01 139.180 0.3808 
1 1 1 11 3  53 o 11 3.33061e+01 9.57909e+00 3.70134e+01 304.168 8.63728e-01  -1.27246e+00 0.00000e+00 0.00000e+00 8.42889e+00 304.168 2.85845e+01 124.168 0.6054 
1 1 1 11 3  54 f 0  7.13396e+01 9.39914e+00 9.66995e+01 5.719   8.65877e+00  8.67128e-01  0.00000e+00 0.00000e+00 5.38485e+01 5.719   4.28510e+01 185.719 0.9407 
1 1 1 11 3  55 o 6  6.93676e+01 8.33289e+00 6.97492e+01 161.817 -6.08836e+00 1.99974e+00  0.00000e+00 0.00000e+00 7.24832e+01 161.817 2.73398e+00 161.817 0.9183 
1 1 1 11 3  56 o 15 9.54951e+01 6.09219e+00 1.12793e+02 212.797 -1.42499e+01 -9.18222e+00 0.00000e+00 0.00000e+00 9.30632e+01 212.797 1.97296e+01 32.797  0.9700 
1 1 1 11 3  57 o 8  6.68186e+01 9.32802e+00 6.31309e+01 57.184  3.67421e+00  5.69778e+00  0.00000e+00 0.00000e+00 7.32545e+01 57.184  1.01236e+01 57.184  0.9230 
1 1 1 11 3  58 o 10 6.93837e+01 1.07920e+01 4.03673e+01 154.260 -3.76123e+00 1.81337e+00  0.00000e+00 0.00000e+00 9.24552e+01 154.260 5.20879e+01 154.260 0.8699 
1 1 1 11 3  59 o 3  1.67109e+02 5.17611e+00 2.04638e+02 82.742  8.27638e+00  6.49819e+01  0.00000e+00 0.00000e+00 1.58430e+02 82.742  4.62073e+01 262.742 0.9923 
1 1 1 11 3  60 o 19 5.12331e+01 1.01035e+01 3.89276e+01 336.291 3.38415e+00  -1.48614e+00 0.00000e+00 0.00000e+00 5.60102e+01 336.291 1.70826e+01 336.291 0.8507 
1 1 1 11 3  61 o 9  4.00829e+01 1.08069e+01 5.10469e+01 177.311 -3.89096e+00 1.82756e-01  0.00000e+00 0.00000e+00 2.35931e+01 177.311 2.74538e+01 357.311 0.8594 
1 1 1 11 3  62 o 10 7.47325e+01 1.24765e+01 5.32475e+01 161.719 -7.09553e+00 2.34400e+00  0.00000e+00 0.00000e+00 9.66294e+01 161.719 4.33819e+01 161.719 0.9305 
1 1 1 11 3  63 o 8  7.74311e+01 1.22721e+01 8.10840e+01 307.937 7.39221e+00  -9.48290e+00 0.00000e+00 0.00000e+00 7.78533e+01 307.937 3.23077e+00 127.937 0.9575 
1 1 1 11 4  0  o 8  1.51351e+02 5.15587e+00 2.06068e+02 180.000 -2.87673e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.76938e+02 180.000 2.91297e+01 0.000   0.9937 
1 1 1 11 4  1  o 11 2.38166e+02 3.17236e+00 3.88169e+02 14.096  1.65427e+01  4.15406e+00  0.00000e+00 0.00000e+00 2.00281e+02 14.096  1.87889e+02 194.096 0.9702 
1 1 1 11 4  2  o 10 3.08288e+02 3.22233e+00 3.88322e+02 285.876 6.02979e+00  -2.12020e+01 0.00000e+00 0.00000e+00 3.78636e+02 285.876 9.68585e+00 105.876 0.9770 
1 1 1 11 4  3  f 0  5.46265e+02 4.92577e+00 7.05968e+02 82.207  9.56723e+00  6.99017e+01  0.00000e+00 0.00000e+00 6.74765e+02 82.207  3.12027e+01 262.206 0.9929 
1 1 1 11 4  4  o 9  3.44565e+02 3.88592e+00 4.09022e+02 147.893 -2.17906e+01 1.36729e+01  0.00000e+00 0.00000e+00 4.50654e+02 147.893 4.16325e+01 147.893 0.9804 
1 1 1 11 4  5  o 1  2.02933e+02 3.66140e+00 3.70188e+02 298.424 6.49297e+00  -1.19964e+01 0.00000e+00 0.00000e+00 1.26761e+02 298.424 2.43426e+02 118.424 0.9626 
1 1 1 11 4  6  o 2  2.79262e+02 3.77048e+00 3.48131e+02 104.600 -4.41891e+00 1.69645e+01  0.00000e+00 0.00000e+00 3.41397e+02 104.600 6.73401e+00 284.600 0.9710 
1 1 1 11 4  7  o 18 4.68049e+02 4.51629e+00 6.02506e+02 25.425  4.48417e+01  2.13164e+01  0.00000e+00 0.00000e+00 5.74910e+02 25.425  2.75958e+01 205.425 0.9899 
1 1 1 11 4  8  o 16 2.17037e+02 3.61673e+00 2.67835e+02 202.893 -9.34822e+00 -3.94753e+00 0.00000e+00 0.00000e+00 2.55458e+02 202.893 1.23769e+01 22.893  0.9494 
1 1 1 11 4  9  o 2  1.18133e+02 4.96730e+00 1.28793e+02 144.101 -2.12181e+00 1.53586e+00  0.00000e+00 0.00000e+00 1.04265e+02 144.101 2.45279e+01 324.101 0.7774 
1 1 1 11 4  10 o 10 3.10310e+02 3.22887e+00 4.72542e+02 229.377 -1.62835e+01 -1.89828e+01 0.00000e+00 0.00000e+00 2.98422e+02 229.377 1.74120e+02 49.377  0.9798 
1 1 1 11 4  11 o 1  3.42668e+02 4.23713e+00 4.14967e+02 229.673 -1.32879e+01 -1.56538e+01 0.00000e+00 0.00000e+00 4.31746e+02 229.673 1.67791e+01 229.673 0.9753 
1 1 1 11 4  12 o 7  4.40598e+02 3.87684e+00 5.14772e+02 277.039 3.95725e+00  -3.20484e+01 0.00000e+00 0.00000e+00 5.82937e+02 277.039 6.81647e+01 277.039 0.9844 
1 1 1 11 4  13 o 6  4.92812e+02 4.30437e+00 6.33408e+02 128.996 -2.75171e+01 3.39857e+01  0.00000e+00 0.00000e+00 5.98181e+02 128.996 3.52271e+01 308.996 0.9885 
1 1 1 11 4  14 o 12 2.92115e+02 3.32795e+00 3.78966e+02 114.810 -7.84626e+00 1.69731e+01  0.00000e+00 0.00000e+00 3.38691e+02 114.810 4.02745e+01 294.810 0.9729 
1 1 1 11 4  15 o 5  2.36892e+02 3.52363e+00 3.45005e+02 77.816  2.86343e+00  1.32617e+01  0.00000e+00 0.00000e+00 2.29999e+02 77.816  1.15006e+02 257.816 0.9624 
1 1 1 11 4  16 o 9  6.00673e+02 4.78834e+00 7.37148e+02 32.941  5.13718e+01  3.32860e+01  0.00000e+00 0.00000e+00 7.63364e+02 32.941  2.62162e+01 32.941  0.9918 
1 1 1 11 4  17 o 5  3.28074e+02 3.60830e+00 3.49550e+02 277.383 1.99973e+00  -1.54338e+01 0.00000e+00 0.00000e+00 4.48631e+02 277.383 9.90805e+01 277.383 0.9673 
1 1 1 11 4  18 o 15 1.09463e+02 5.37928e+00 2.79250e+02 271.118 1.04690e-01  -5.36586e+00 0.00000e+00 0.00000e+00 3.14987e+01 91.118  3.10749e+02 91.118  0.9012 
1 1 1 11 4  19 o 1  6.02784e+02 5.23656e+00 7.05602e+02 334.704 6.59985e+01  -3.11912e+01 0.00000e+00 0.00000e+00 7.95388e+02 334.704 8.97861e+01 334.704 0.9931 
1 1 1 11 4  20 o 14 1.14795e+02 5.52319e+00 3.60169e+02 90.651  -7.57346e-02 6.66267e+00  0.00000e+00 0.00000e+00 9.53612e+01 270.651 4.55531e+02 270.651 0.9216 
1 1 1 11 4  21 o 7  3.07130e+02 3.44629e+00 4.16632e+02 41.333  1.51648e+01  1.33379e+01  0.00000e+00 0.00000e+00 3.31546e+02 41.333  8.50862e+01 221.333 0.9749 
1 1 1 11 4  22 o 6  2.06604e+02 3.85797e+00 3.91088e+02 44.615  1.09862e+01  1.08395e+01  0.00000e+00 0.00000e+00 1.07210e+02 44.615  2.83878e+02 224.615 0.9670 
1 1 1 11 4  23 o 16 1.76641e+02 3.91664e+00 3.06059e+02 134.354 -8.01109e+00 8.19377e+00  0.00000e+00 0.00000e+00 1.13995e+02 134.354 1.92064e+02 314.354 0.9553 
1 1 1 11 4  24 o 12 5.10174e+01 8.99601e+00 1.56426e+02 351.650 1.60724e+00  -2.35908e-01 0.00000e+00 0.00000e+00 7.71617e+01 171.650 2.33588e+02 171.650 0.6254 
1 1 1 11 4  25 o 19 7.40244e+01 7.55335e+00 7.69229e+01 186.826 -1.13687e+00 -1.36078e-01 0.00000e+00 0.00000e+00 1.39855e+01 186.826 6.29374e+01 6.826   0.4954 
1 1 1 11 4  26 o 18 2.10506e+02 4.44558e+00 2.65319e+02 286.182 3.29217e+00  -1.13448e+01 0.00000e+00 0.00000e+00 2.32814e+02 286.182 3.25056e+01 106.182 0.9567 
1 1 1 11 4  27 o 15 2.07494e+02 3.90445e+00 2.56624e+02 102.394 -2.62205e+00 1.19315e+01  0.00000e+00 0.00000e+00 2.34010e+02 102.394 2.26134e+01 282.394 0.9582 
1 1 1 11 4  28 o 2  1.56287e+02 4.20379e+00 2.68010e+02 204.043 -9.15260e+00 -4.08328e+00 0.00000e+00 0.00000e+00 9.70350e+01 204.043 1.70975e+02 24.043  0.9487 
1 1 1 11 4  29 o 18 1.61228e+02 4.31371e+00 1.77036e+02 77.470  1.44016e+00  6.48009e+00  0.00000e+00 0.00000e+00 1.87750e+02 77.470  1.07137e+01 77.470  0.9213 
1 1 1 11 4  30 o 7  2.10696e+02 3.72009e+00 1.89298e+02 179.287 -1.03448e+01 1.28803e-01  0.00000e+00 0.00000e+00 3.01229e+02 179.287 1.11931e+02 179.287 0.9504 
1 1 1 11 4  32 o 7  2.53932e+02 3.79980e+00 3.81978e+02 205.265 -2.69252e+01 -1.27072e+01 0.00000e+00 0.00000e+00 2.26279e+02 205.265 1.55699e+02 25.265  0.9831 
1 1 1 11 4  33 o 5  2.15502e+02 3.83807e+00 2.64976e+02 145.004 -1.64843e+01 1.15408e+01  0.00000e+00 0.00000e+00 2.45472e+02 145.004 1.95041e+01 325.004 0.9748 
1 1 1 11 4  34 o 16 1.66802e+02 4.93278e+00 1.27811e+02 95.017  -6.10320e-01 6.95286e+00  0.00000e+00 0.00000e+00 2.46131e+02 95.017  1.18320e+02 95.017  0.9253 
1 1 1 11 4  36 o 14 2.78592e+02 3.38060e+00 2.82587e+02 188.930 -3.09081e+01 -4.85645e+00 0.00000e+00 0.00000e+00 3.77512e+02 188.930 9.49247e+01 188.930 0.9839 
1 1 1 11 4  37 o 18 1.92910e+02 3.66449e+00 1.94646e+02 16.819  1.61120e+01  4.87038e+00  0.00000e+00 0.00000e+00 2.54487e+02 16.819  5.98411e+01 16.819  0.9698 
1 1 1 11 4  38 o 18 5.36427e+01 9.64483e+00 9.37945e+01 49.213  1.37888e+00  1.59819e+00  0.00000e+00 0.00000e+00 1.99622e+00 229.213 9.57907e+01 229.213 0.7152 
1 1 1 11 4  39 o 15 2.67436e+02 3.31350e+00 3.58038e+02 103.194 -1.07392e+01 4.58080e+01  0.00000e+00 0.00000e+00 2.72969e+02 103.194 8.50692e+01 283.194 0.9893 
1 1 1 11 4  40 o 8  1.18534e+02 4.80006e+00 1.13441e+02 322.362 5.87529e+00  -4.53077e+00 0.00000e+00 0.00000e+00 1.48557e+02 322.362 3.51156e+01 322.362 0.9299 
1 1 1 11 4  41 o 6  1.64137e+02 4.70599e+00 1.16819e+02 300.464 4.89826e+00  -8.32743e+00 0.00000e+00 0.00000e+00 2.51243e+02 300.464 1.34424e+02 300.464 0.9467 
1 1 1 11 4  42 o 6  1.15246e+02 5.88353e+00 1.20055e+02 230.398 -5.82282e+00 -7.03809e+00 0.00000e+00 0.00000e+00 1.36585e+02 230.398 1.65305e+01 230.398 0.9436 
1 1 1 11 4  43 o 4  1.33853e+02 5.65354e+00 7.06084e+01 82.786  8.04112e-01  6.35266e+00  0.00000e+00 0.00000e+00 2.18395e+02 82.786  1.47787e+02 82.786  0.9182 
1 1 1 11 4  44 o 12 1.42075e+02 4.33789e+00 1.61797e+02 332.058 1.42021e+01  -7.53307e+00 0.00000e+00 0.00000e+00 1.60508e+02 332.058 1.28888e+00 152.058 0.9684 
1 1 1 11 4  45 o 7  2.38873e+01 7.89115e+00 6.33193e+01 112.170 -4.14168e-01 1.01639e+00  0.00000e+00 0.00000e+00 3.65681e+01 292.170 9.98874e+01 292.170 0.4799 
1 1 1 11 4  46 o 4  3.01656e+01 9.29978e+00 1.07918e+01 298.187 1.04034e-01  -1.94126e-01 0.00000e+00 0.00000e+00 3.11635e+00 118.187 1.39081e+01 118.187 0.1095 
1 1 1 11 4  47 o 10 1.66220e+02 4.31584e+00 1.85174e+02 276.235 2.68435e+00  -2.45691e+01 0.00000e+00 0.00000e+00 1.91793e+02 276.235 6.61939e+00 276.235 0.9796 
1 1 1 11 4  48 o 12 8.16550e+01 7.16739e+00 1.06323e+02 270.619 8.95896e-02  -8.28699e+00 0.00000e+00 0.00000e+00 7.01983e+01 270.619 3.61252e+01 90.619  0.9376 
1 1 1 11 4  49 o 10 5.98709e+01 9.45835e+00 1.55195e+01 106.999 -2.45565e-01 8.03256e-01  0.00000e+00 0.00000e+00 3.76574e+01 106.999 2.21379e+01 106.999 0.3868 
1 1 1 11 4  50 o 17 3.33936e+01 9.80854e+00 5.73897e+01 25.090  1.79661e+00  8.41227e-01  0.00000e+00 0.00000e+00 4.31988e+00 205.090 6.17096e+01 205.090 0.6951 
1 1 1 11 4  52 o 15 5.29152e+01 9.95091e+00 9.58508e+01 53.114  3.70481e+00  4.93694e+00  0.00000e+00 0.00000e+00 1.38726e+01 53.114  8.19781e+01 233.114 0.9150 
1 1 1 11 4  53 o 17 5.66386e+01 8.98887e+00 4.63195e+01 279.797 5.41157e-01  -3.13387e+00 0.00000e+00 0.00000e+00 5.87763e+01 279.797 1.24568e+01 279.797 0.8225 
1 1 1 11 4  54 o 1  3.54676e+01 1.06229e+01 4.29958e+01 106.186 -5.14328e-01 1.77197e+00  0.00000e+00 0.00000e+00 1.04183e+01 106.186 3.25775e+01 286.186 0.6706 
1 1 1 11 4  55 o 1  7.33390e+01 9.75550e+00 4.12338e+01 269.718 -2.13081e-02 -4.32742e+00 0.00000e+00 0.00000e+00 1.02203e+02 269.718 6.09696e+01 269.718 0.8750 
1 1 1 11 4  56 o 1  3.64017e+01 1.04995e+01 6.08794e+01 216.049 -2.45092e+00 -1.78390e+00 0.00000e+00 0.00000e+00 4.89404e+00 216.049 5.59854e+01 36.049  0.8123 
1 1 1 11 4  57 o 16 3.33983e+01 1.00035e+01 4.82004e+01 95.072  -2.21994e-01 2.50135e+00  0.00000e+00 0.00000e+00 8.44671e+00 95.072  3.97537e+01 275.072 0.7662 
1 1 1 11 4  58 o 18 4.38191e+01 1.07278e+01 4.31106e+01 347.728 2.76914e+00  -6.02329e-01 0.00000e+00 0.00000e+00 3.38072e+01 347.728 9.30345e+00 167.728 0.7969 
1 1 1 11 4  59 o 19 5.25149e+01 1.01961e+01 3.16774e+01 94.340  -2.23833e-01 2.94909e+00  0.00000e+00 0.00000e+00 6.11784e+01 94.340  2.95011e+01 94.340  0.8068 
1 1 1 11 4  60 o 8  4.96286e+01 1.13226e+01 6.10303e+01 217.261 -4.21862e+00 -3.20916e+00 0.00000e+00 0.00000e+00 3.63486e+01 217.261 2.46817e+01 37.261  0.8999 
1 1 1 11 4  61 o 10 3.77639e+01 1.01550e+01 2.60854e+01 322.069 1.51305e+00  -1.17917e+00 0.00000e+00 0.00000e+00 2.99321e+01 322.069 3.84679e+00 322.069 0.6839 
1 1 1 11 4  62 o 5  5.68587e+01 1.03261e+01 6.78387e+01 316.604 6.05704e+00  -5.72699e+00 0.00000e+00 0.00000e+00 4.72243e+01 316.604 2.06144e+01 136.604 0.9379 
1 1 1 11 4  63 o 17 5.03303e+01 1.06237e+01 4.18912e+01 82.475  6.36278e-01  4.81663e+00  0.00000e+00 0.00000e+00 5.42335e+01 82.475  1.23423e+01 82.475  0.8900 
1 1 1 11 5  0  o 14 5.98076e+02 7.37756e+00 7.59993e+02 0.000   3.98244e+01  0.00000e+00  0.00000e+00 0.00000e+00 7.65065e+02 0.000   5.07188e+00 0.000   1.0000 
1 1 1 11 5  1  o 2  4.60812e+02 4.22937e+00 6.15749e+02 324.695 4.06343e+01  -2.87756e+01 0.00000e+00 0.00000e+00 5.47386e+02 324.695 6.83629e+01 144.695 0.9899 
1 1 1 11 5  2  o 18 4.91747e+02 4.59267e+00 7.15677e+02 109.597 -2.06568e+01 5.80204e+01  0.00000e+00 0.00000e+00 5.27814e+02 109.597 1.87862e+02 289.597 0.9918 
1 1 1 11 5  3  o 15 2.69668e+02 3.59960e+00 2.93833e+02 359.771 1.38450e+01  -5.52545e-02 0.00000e+00 0.00000e+00 3.68230e+02 359.771 7.43966e+01 359.771 0.9632 
1 1 1 11 5  4  o 12 2.41800e+02 3.59815e+00 3.22187e+02 78.385  2.72781e+00  1.32714e+01  0.00000e+00 0.00000e+00 2.70771e+02 78.385  5.14161e+01 258.385 0.9624 
1 1 1 11 5  5  o 12 4.36660e+02 3.82993e+00 5.61489e+02 71.452  1.34784e+01  4.01701e+01  0.00000e+00 0.00000e+00 5.37564e+02 71.452  2.39249e+01 251.452 0.9881 
1 1 1 11 5  6  o 1  2.60783e+02 3.13286e+00 3.17848e+02 290.869 5.07160e+00  -1.33029e+01 0.00000e+00 0.00000e+00 3.22341e+02 290.869 4.49336e+00 290.869 0.9642 
1 1 1 11 5  7  o 18 3.53035e+02 3.26173e+00 4.92860e+02 294.131 1.04103e+01  -2.32386e+01 0.00000e+00 0.00000e+00 3.87638e+02 294.131 1.05222e+02 114.131 0.9802 
1 1 1 11 5  8  o 8  1.08305e+02 4.58771e+00 4.43751e+01 35.261  5.67658e-01  4.01348e-01  0.00000e+00 0.00000e+00 4.60052e+01 35.261  1.63007e+00 35.261  0.3282 
1 1 1 11 5  9  o 11 1.95408e+02 3.31224e+00 3.17529e+02 104.470 -2.22261e+00 8.61289e+00  0.00000e+00 0.00000e+00 1.50207e+02 104.470 1.67322e+02 284.470 0.9420 
1 1 1 11 5  10 f 0  1.48172e+02 3.80050e+00 1.74136e+02 221.334 -2.74284e+00 -2.41250e+00 0.00000e+00 0.00000e+00 1.45151e+02 221.334 2.89852e+01 41.334  0.8487 
1 1 1 11 5  11 o 9  6.40432e+02 4.53923e+00 8.14337e+02 76.062  2.14569e+01  8.64597e+01  0.00000e+00 0.00000e+00 8.01083e+02 76.062  1.32542e+01 256.062 0.9944 
1 1 1 11 5  12 o 11 9.79742e+01 4.94961e+00 1.20118e+02 152.833 -1.76253e+00 9.04538e-01  0.00000e+00 0.00000e+00 5.23495e+01 152.833 6.77682e+01 332.833 0.6946 
1 1 1 11 5  13 o 13 9.17641e+01 5.25562e+00 1.01893e+02 129.726 -9.90713e-01 1.19221e+00  0.00000e+00 0.00000e+00 3.94070e+01 129.726 6.24858e+01 309.726 0.6083 
1 1 1 11 5  14 o 13 2.74681e+02 3.41371e+00 2.77910e+02 95.567  -1.03017e+00 1.05688e+01  0.00000e+00 0.00000e+00 3.83055e+02 95.567  1.05145e+02 95.567  0.9517 
1 1 1 11 5  15 o 3  2.88205e+02 4.76345e+00 3.97889e+02 354.401 1.55655e+01  -1.52586e+00 0.00000e+00 0.00000e+00 3.06252e+02 354.401 9.16373e+01 174.401 0.9675 
1 1 1 11 5  16 o 7  3.86500e+02 3.84696e+00 3.33380e+02 181.076 -2.29025e+01 -4.30211e-01 0.00000e+00 0.00000e+00 6.19830e+02 181.076 2.86450e+02 181.076 0.9779 
1 1 1 11 5  17 o 12 5.45624e+02 4.60288e+00 6.24154e+02 309.312 3.75143e+01  -4.58134e+01 0.00000e+00 0.00000e+00 7.38265e+02 309.312 1.14111e+02 309.312 0.9915 
1 1 1 11 5  18 o 4  2.37044e+02 3.60959e+00 3.25845e+02 59.972  6.33932e+00  1.09677e+01  0.00000e+00 0.00000e+00 2.46183e+02 59.972  7.96619e+01 239.972 0.9597 
1 1 1 11 5  19 o 8  4.08272e+02 3.67003e+00 5.67018e+02 353.544 3.68849e+01  -4.17381e+00 0.00000e+00 0.00000e+00 4.44065e+02 353.544 1.22953e+02 173.544 0.9864 
1 1 1 11 5  20 o 13 1.24271e+02 4.61743e+00 2.40456e+02 277.229 7.30330e-01  -5.75754e+00 0.00000e+00 0.00000e+00 4.27243e+01 277.229 1.97732e+02 97.229  0.9092 
1 1 1 11 5  21 o 8  2.76412e+02 3.44171e+00 3.38875e+02 321.091 1.38542e+01  -1.11823e+01 0.00000e+00 0.00000e+00 3.32968e+02 321.091 5.90749e+00 141.092 0.9715 
1 1 1 11 5  22 o 7  1.45503e+02 4.11514e+00 1.55362e+02 70.166  1.61939e+00  4.48971e+00  0.00000e+00 0.00000e+00 1.67239e+02 70.166  1.18774e+01 70.166  0.8878 
1 1 1 11 5  23 o 4  9.03087e+01 6.03033e+00 1.93974e+02 59.768  1.82513e+00  3.13185e+00  0.00000e+00 0.00000e+00 3.24241e+00 239.768 1.97216e+02 239.768 0.8474 
1 1 1 11 5  24 o 11 2.06269e+02 3.90283e+00 1.92207e+02 40.887  6.08002e+00  5.26421e+00  0.00000e+00 0.00000e+00 2.87811e+02 40.887  9.56040e+01 40.887  0.9356 
1 1 1 11 5  25 o 18 1.84028e+02 3.65947e+00 2.07158e+02 119.079 -3.92398e+00 7.05604e+00  0.00000e+00 0.00000e+00 2.20317e+02 119.079 1.31589e+01 119.079 0.9359 
1 1 1 11 5  27 o 11 3.57310e+02 3.60896e+00 3.57653e+02 274.006 2.14240e+00  -3.05945e+01 0.00000e+00 0.00000e+00 5.10746e+02 274.006 1.53093e+02 274.006 0.9836 
1 1 1 11 5  28 o 17 5.20864e+02 4.18813e+00 6.92114e+02 247.017 -3.28338e+01 -7.74142e+01 0.00000e+00 0.00000e+00 5.84234e+02 247.017 1.07881e+02 67.017  0.9940 
1 1 1 11 5  29 o 19 1.05106e+02 5.93238e+00 3.43924e+01 99.311  -1.51232e-01 9.22382e-01  0.00000e+00 0.00000e+00 7.48794e+01 99.311  4.04870e+01 99.311  0.4228 
1 1 1 11 5  31 o 1  2.16188e+02 3.67803e+00 3.44619e+02 188.037 -2.27745e+01 -3.21560e+00 0.00000e+00 0.00000e+00 1.72635e+02 188.037 1.71984e+02 8.037   0.9780 
1 1 1 11 5  32 o 3  2.51681e+02 3.51575e+00 3.26623e+02 96.072  -3.08642e+00 2.90140e+01  0.00000e+00 0.00000e+00 2.76802e+02 96.072  4.98209e+01 276.072 0.9827 
1 1 1 11 5  33 f 0  3.10915e+02 3.51497e+00 3.14991e+02 119.014 -1.57358e+01 2.83714e+01  0.00000e+00 0.00000e+00 4.29693e+02 119.014 1.14702e+02 119.014 0.9845 
1 1 1 11 5  35 o 16 1.70584e+02 4.33745e+00 1.70866e+02 89.173  1.67908e-01  1.16378e+01  0.00000e+00 0.00000e+00 2.23582e+02 89.173  5.27160e+01 89.173  0.9560 
1 1 1 11 5  36 o 9  2.38912e+02 3.81748e+00 2.98772e+02 251.463 -1.02550e+01 -3.05825e+01 0.00000e+00 0.00000e+00 2.68315e+02 251.463 3.04571e+01 71.463  0.9844 
1 1 1 11 5  37 o 4  1.05013e+02 6.04154e+00 1.50146e+02 359.934 6.87264e+00  -7.96522e-03 0.00000e+00 0.00000e+00 8.31129e+01 359.934 6.70328e+01 179.934 0.9241 
1 1 1 11 5  38 f 0  2.46830e+02 3.45263e+00 1.67618e+02 184.287 -1.80501e+01 -1.35320e+00 0.00000e+00 0.00000e+00 4.07200e+02 184.287 2.39582e+02 184.287 0.9720 
1 1 1 11 5  39 o 7  1.83044e+02 3.74864e+00 1.64025e+02 321.708 1.13649e+01  -8.97278e+00 0.00000e+00 0.00000e+00 2.57711e+02 321.708 9.36864e+01 321.708 0.9648 
1 1 1 11 5  40 o 8  2.12017e+02 3.98807e+00 3.06070e+02 147.406 -2.79647e+01 1.78798e+01  0.00000e+00 0.00000e+00 1.90846e+02 147.406 1.15224e+02 327.406 0.9848 
1 1 1 11 5  41 o 2  3.25333e+01 9.41440e+00 4.46233e+01 193.075 -9.05278e-01 -2.10256e-01 0.00000e+00 0.00000e+00 1.21559e+01 13.075  5.67793e+01 13.075  0.4208 
1 1 1 11 5  42 f 0  8.31321e+01 6.28647e+00 1.28472e+02 19.508  6.85887e+00  2.42996e+00  0.00000e+00 0.00000e+00 5.39312e+01 19.508  7.45409e+01 199.508 0.9285 
1 1 1 11 5  43 o 12 7.95290e+01 6.43681e+00 1.54676e+02 229.871 -5.36843e+00 -6.36876e+00 0.00000e+00 0.00000e+00 2.09427e+01 229.871 1.33734e+02 49.871  0.9379 
1 1 1 11 5  44 o 7  1.77632e+02 4.22110e+00 1.99987e+02 349.896 2.67085e+01  -4.75936e+00 0.00000e+00 0.00000e+00 2.08921e+02 349.896 8.93459e+00 349.896 0.9814 
1 1 1 11 5  45 o 19 7.06030e+01 8.64243e+00 8.95611e+01 332.694 3.88477e+00  -2.00557e+00 0.00000e+00 0.00000e+00 5.50294e+01 332.694 3.45317e+01 152.694 0.8764 
1 1 1 11 5  46 o 4  1.08535e+02 5.78686e+00 1.22027e+02 245.359 -4.91829e+00 -1.07220e+01 0.00000e+00 0.00000e+00 1.19631e+02 245.359 2.39620e+00 65.359  0.9566 
1 1 1 11 5  47 o 8  6.95379e+01 8.57378e+00 5.38749e+01 95.206  -3.20747e-01 3.51999e+00  0.00000e+00 0.00000e+00 8.19997e+01 95.206  2.81248e+01 95.206  0.8429 
1 1 1 11 5  48 o 18 8.27667e+01 8.05423e+00 1.68115e+02 76.702  3.11419e+00  1.31761e+01  0.00000e+00 0.00000e+00 1.57704e+01 76.702  1.52344e+02 256.702 0.9623 
1 1 1 11 5  49 o 14 3.95078e+01 1.01447e+01 5.33549e+01 201.546 -1.72751e+00 -6.82085e-01 0.00000e+00 0.00000e+00 7.76419e+00 201.546 4.55907e+01 21.546  0.6729 
1 1 1 11 5  50 o 13 6.88639e+01 8.20543e+00 1.23767e+02 97.028  -1.19038e+00 9.65552e+00  0.00000e+00 0.00000e+00 2.55440e+01 97.028  9.82228e+01 277.028 0.9471 
1 1 1 11 5  51 o 1  2.25862e+02 3.97410e+00 1.89818e+02 17.932  3.86017e+01  1.24916e+01  0.00000e+00 0.00000e+00 3.18606e+02 17.932  1.28788e+02 17.932  0.9876 
1 1 1 11 5  52 o 18 4.26630e+01 9.53522e+00 6.75316e+01 180.269 -3.61636e+00 -1.69768e-02 0.00000e+00 0.00000e+00 1.44634e+01 180.269 5.30683e+01 0.269   0.8470 
1 1 1 11 5  53 o 10 8.43580e+01 6.76089e+00 1.17438e+02 7.556   1.32663e+01  1.75967e+00  0.00000e+00 0.00000e+00 6.58578e+01 7.556   5.15806e+01 187.556 0.9619 
1 1 1 11 5  54 o 5  3.13164e+01 9.30459e+00 3.99548e+00 181.699 -1.62512e-01 -4.81970e-03 0.00000e+00 0.00000e+00 1.70996e+00 181.699 2.28552e+00 1.699   0.0810 
1 1 1 11 5  55 o 14 9.99994e+01 5.20210e+00 9.99609e+01 258.137 -3.31652e+00 -1.57892e+01 0.00000e+00 0.00000e+00 1.16787e+02 258.137 1.68259e+01 258.137 0.9685 
1 1 1 11 5  56 o 3  4.76581e+01 1.07265e+01 9.76760e+01 37.920  4.94088e+00  3.84918e+00  0.00000e+00 0.00000e+00 4.15271e-01 217.920 9.80912e+01 217.920 0.9163 
1 1 1 11 5  57 o 7  6.80291e+01 8.73621e+00 1.03294e+02 147.204 -9.49226e+00 6.11640e+00  0.00000e+00 0.00000e+00 4.06514e+01 147.204 6.26423e+01 327.204 0.9546 
1 1 1 11 5  58 o 16 3.39234e+01 9.82660e+00 4.46567e+01 149.156 -2.18769e+00 1.30642e+00  0.00000e+00 0.00000e+00 1.29628e+01 149.156 3.16939e+01 329.156 0.7701 
1 1 1 11 5  59 o 9  3.47626e+01 9.73679e+00 3.14781e+01 309.945 1.33011e+00  -1.58826e+00 0.00000e+00 0.00000e+00 2.26217e+01 309.945 8.85641e+00 129.945 0.7092 
1 1 1 11 5  60 o 11 7.99799e+01 7.71273e+00 7.37131e+01 241.582 -6.08094e+00 -1.12380e+01 0.00000e+00 0.00000e+00 9.39182e+01 241.582 2.02051e+01 241.582 0.9600 
1 1 1 11 5  61 o 14 5.49835e+01 1.12645e+01 5.77696e+01 20.545  5.96456e+00  2.23541e+00  0.00000e+00 0.00000e+00 5.18214e+01 20.545  5.94828e+00 200.545 0.9177 
1 1 1 11 5  62 o 1  7.02165e+01 9.00279e+00 7.18740e+01 120.301 -5.73088e+00 9.80668e+00  0.00000e+00 0.00000e+00 7.29759e+01 120.301 1.10187e+00 120.301 0.9549 
1 1 1 11 6  0  o 18 6.02258e+02 6.42737e+00 8.80235e+02 0.000   3.83151e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.57892e+02 0.000   2.22343e+02 180.000 1.0000 
1 1 1 11 6  1  o 17 6.53441e+02 5.18863e+00 8.37427e+02 353.197 7.84016e+01  -9.35317e+00 0.00000e+00 0.00000e+00 8.20743e+02 353.197 1.66840e+01 173.197 0.9936 
1 1 1 11 6  2  o 18 4.15911e+02 3.76304e+00 4.07980e+02 91.778  -7.59955e-01 2.44830e+01  0.00000e+00 0.00000e+00 6.32137e+02 91.778  2.24156e+02 91.778  0.9794 
1 1 1 11 6  3  o 7  4.23785e+02 3.67177e+00 6.25715e+02 11.542  3.73906e+01  7.63582e+00  0.00000e+00 0.00000e+00 4.41912e+02 11.542  1.83803e+02 191.542 0.9868 
1 1 1 11 6  4  o 12 6.69169e+02 4.89347e+00 8.74013e+02 208.350 -7.36095e+01 -3.97177e+01 0.00000e+00 0.00000e+00 8.23580e+02 208.350 5.04338e+01 28.350  0.9940 
1 1 1 11 6  5  o 17 4.87884e+02 3.93790e+00 4.61474e+02 193.134 -3.12280e+01 -7.28635e+00 0.00000e+00 0.00000e+00 7.63641e+02 193.134 3.02167e+02 193.134 0.9843 
1 1 1 11 6  6  f 0  2.49902e+02 3.70937e+00 2.39935e+02 112.576 -3.25738e+00 7.83448e+00  0.00000e+00 0.00000e+00 3.58485e+02 112.576 1.18550e+02 112.576 0.9391 
1 1 1 11 6  7  o 6  6.00806e+02 4.35886e+00 8.38922e+02 178.187 -8.64555e+01 2.73595e+00  0.00000e+00 0.00000e+00 6.83380e+02 178.187 1.55543e+02 358.187 0.9942 
1 1 1 11 6  8  f 0  3.86471e+02 3.42571e+00 4.91875e+02 73.450  9.22397e+00  3.10405e+01  0.00000e+00 0.00000e+00 4.77107e+02 73.450  1.47680e+01 253.450 0.9844 
1 1 1 11 6  9  o 18 5.01600e+02 3.76150e+00 5.04929e+02 266.462 -2.63423e+00 -4.26082e+01 0.00000e+00 0.00000e+00 7.56614e+02 266.462 2.51685e+02 266.462 0.9882 
1 1 1 11 6  10 o 4  2.70312e+02 3.19877e+00 3.59574e+02 206.080 -1.45647e+01 -7.12891e+00 0.00000e+00 0.00000e+00 3.06270e+02 206.080 5.33033e+01 26.080  0.9687 
1 1 1 11 6  11 o 16 4.42478e+02 4.83832e+00 5.82201e+02 334.880 3.25806e+01  -1.52756e+01 0.00000e+00 0.00000e+00 5.26244e+02 334.880 5.59575e+01 154.880 0.9860 
1 1 1 11 6  12 o 7  2.31767e+02 3.63049e+00 3.76683e+02 353.061 1.19564e+01  -1.45522e+00 0.00000e+00 0.00000e+00 1.86595e+02 353.061 1.90088e+02 173.061 0.9575 
1 1 1 11 6  13 o 9  1.12158e+02 5.29458e+00 3.00601e+02 209.916 -3.96088e+00 -2.27910e+00 0.00000e+00 0.00000e+00 4.96934e+01 29.916  3.50294e+02 29.916  0.8823 
1 1 1 11 6  14 o 2  7.11272e+02 5.82403e+00 8.42724e+02 311.929 7.06677e+01  -7.86806e+01 0.00000e+00 0.00000e+00 9.49987e+02 311.929 1.07263e+02 311.929 0.9953 
1 1 1 11 6  15 o 10 2.22115e+02 3.89645e+00 1.86523e+02 219.716 -5.54495e+00 -4.60605e+00 0.00000e+00 0.00000e+00 3.34698e+02 219.716 1.48175e+02 219.716 0.9278 
1 1 1 11 6  16 f 0  8.51070e+02 5.99351e+00 1.00029e+03 262.824 -1.73912e+01 -1.38137e+02 0.00000e+00 0.00000e+00 1.14168e+03 262.824 1.41384e+02 262.824 0.9964 
1 1 1 11 6  17 f 0  1.71353e+02 3.66224e+00 2.20052e+02 282.506 1.31503e+00  -5.92860e+00 0.00000e+00 0.00000e+00 1.74754e+02 282.506 4.52973e+01 102.506 0.9135 
1 1 1 11 6  18 o 8  3.88403e+02 3.44065e+00 4.94184e+02 243.437 -1.68221e+01 -3.36473e+01 0.00000e+00 0.00000e+00 4.70914e+02 243.437 2.32709e+01 63.437  0.9866 
1 1 1 11 6  19 o 7  2.41008e+02 4.20320e+00 2.76343e+02 185.460 -1.26975e+01 -1.21375e+00 0.00000e+00 0.00000e+00 3.05402e+02 185.460 2.90589e+01 185.460 0.9600 
1 1 1 11 6  20 o 10 7.66094e+02 5.24981e+00 9.74923e+02 152.452 -1.40890e+02 7.34924e+01  0.00000e+00 0.00000e+00 9.42100e+02 152.452 3.28231e+01 332.452 0.9968 
1 1 1 11 6  21 o 13 1.53245e+02 3.96271e+00 3.39809e+02 186.808 -1.08097e+01 -1.29046e+00 0.00000e+00 0.00000e+00 2.61089e+01 186.808 3.13700e+02 6.808   0.9529 
1 1 1 11 6  22 o 14 3.13068e+02 3.31169e+00 4.32614e+02 200.957 -2.60752e+01 -9.98700e+00 0.00000e+00 0.00000e+00 3.36267e+02 200.957 9.63474e+01 20.957  0.9819 
1 1 1 11 6  23 o 14 3.09512e+02 3.32698e+00 3.07584e+02 315.386 1.46000e+01  -1.44046e+01 0.00000e+00 0.00000e+00 4.45978e+02 315.386 1.38393e+02 315.386 0.9753 
1 1 1 11 6  24 o 11 3.62858e+02 3.41131e+00 4.02111e+02 19.022  2.90218e+01  1.00057e+01  0.00000e+00 0.00000e+00 4.87014e+02 19.022  8.49025e+01 19.022  0.9836 
1 1 1 11 6  25 o 8  2.87387e+02 5.98072e+00 3.49965e+02 29.472  1.98745e+01  1.12318e+01  0.00000e+00 0.00000e+00 3.48651e+02 29.472  1.31438e+00 209.472 0.9778 
1 1 1 11 6  26 o 1  1.25883e+02 4.64662e+00 1.64689e+02 66.416  1.97563e+00  4.52538e+00  0.00000e+00 0.00000e+00 1.13820e+02 66.416  5.08688e+01 246.416 0.8919 
1 1 1 11 6  27 o 1  2.07456e+02 3.57411e+00 2.41229e+02 238.022 -7.06465e+00 -1.13154e+01 0.00000e+00 0.00000e+00 2.52562e+02 238.022 1.13330e+01 238.022 0.9618 
1 1 1 11 6  28 f 0  3.69292e+02 3.51249e+00 3.39525e+02 160.092 -3.25841e+01 1.18006e+01  0.00000e+00 0.00000e+00 5.59006e+02 160.092 2.19481e+02 160.092 0.9855 
1 1 1 11 6  30 o 14 9.74400e+01 5.68750e+00 1.45814e+02 314.968 3.07677e+00  -3.08018e+00 0.00000e+00 0.00000e+00 6.38497e+01 314.968 8.19641e+01 134.968 0.8759 
1 1 1 11 6  31 o 1  1.42193e+02 4.31563e+00 1.80942e+02 104.309 -2.25232e+00 8.83052e+00  0.00000e+00 0.00000e+00 1.47751e+02 104.309 3.31910e+01 284.309 0.9434 
1 1 1 11 6  32 o 3  2.09349e+02 3.50773e+00 1.67567e+02 307.611 7.10287e+00  -9.21970e+00 0.00000e+00 0.00000e+00 3.21497e+02 307.611 1.53931e+02 307.611 0.9560 
1 1 1 11 6  34 o 2  1.16299e+02 4.86811e+00 8.70979e+01 258.924 -7.77766e-01 -3.97297e+00 0.00000e+00 0.00000e+00 1.57428e+02 258.924 7.03306e+01 258.924 0.8654 
1 1 1 11 6  35 f 0  4.91227e+01 9.47400e+00 2.14013e+01 109.380 -1.52003e-01 4.32128e-01  0.00000e+00 0.00000e+00 5.16351e+00 109.380 1.62378e+01 289.380 0.2232 
1 1 1 11 6  36 o 15 1.63681e+02 3.92034e+00 2.01914e+02 341.188 1.38550e+01  -4.71987e+00 0.00000e+00 0.00000e+00 1.79636e+02 341.188 2.22780e+01 161.188 0.9652 
1 1 1 11 6  37 o 1  3.99652e+02 3.53840e+00 4.72053e+02 129.728 -5.30297e+01 6.38119e+01  0.00000e+00 0.00000e+00 4.84284e+02 129.728 1.22308e+01 129.728 0.9940 
1 1 1 11 6  38 o 9  1.17202e+02 5.31973e+00 1.69065e+02 170.581 -9.40790e+00 1.56067e+00  0.00000e+00 0.00000e+00 9.70037e+01 170.581 7.20616e+01 350.581 0.9460 
1 1 1 11 6  39 o 18 1.88906e+02 4.03339e+00 2.96289e+02 129.622 -1.95959e+01 2.36692e+01  0.00000e+00 0.00000e+00 1.48112e+02 129.622 1.48178e+02 309.622 0.9836 
1 1 1 11 6  40 o 6  1.52176e+02 4.55525e+00 1.66360e+02 155.717 -1.56885e+01 7.07811e+00  0.00000e+00 0.00000e+00 1.85666e+02 155.717 1.93064e+01 155.717 0.9705 
1 1 1 11 6  41 o 10 1.89034e+02 4.03944e+00 2.18617e+02 218.503 -2.26322e+01 -1.80044e+01 0.00000e+00 0.00000e+00 2.22563e+02 218.503 3.94551e+00 218.503 0.9826 
1 1 1 11 6  42 o 7  1.81749e+02 3.83960e+00 2.32712e+02 201.856 -2.73885e+01 -1.09856e+01 0.00000e+00 0.00000e+00 1.90100e+02 201.856 4.26123e+01 21.856  0.9829 
1 1 1 11 6  43 f 0  1.72123e+02 3.85461e+00 2.71816e+02 348.879 3.20400e+01  -6.29817e+00 0.00000e+00 0.00000e+00 1.27809e+02 348.879 1.44006e+02 168.879 0.9846 
1 1 1 11 6  44 o 7  3.29788e+01 9.52026e+00 7.72384e+01 12.452  1.71260e+00  3.78158e-01  0.00000e+00 0.00000e+00 2.66519e+01 192.452 1.03890e+02 192.452 0.6529 
1 1 1 11 6  45 o 6  1.07381e+02 5.21437e+00 1.02996e+02 9.862   9.86284e+00  1.71463e+00  0.00000e+00 0.00000e+00 1.35407e+02 9.862   3.24110e+01 9.862   0.9487 
1 1 1 11 6  46 o 4  1.24767e+02 4.78197e+00 1.61791e+02 199.552 -1.51687e+01 -5.38690e+00 0.00000e+00 0.00000e+00 1.19874e+02 199.552 4.19168e+01 19.552  0.9684 
1 1 1 11 6  47 o 5  6.85845e+01 7.92135e+00 6.35806e+01 284.901 1.10461e+00  -4.15117e+00 0.00000e+00 0.00000e+00 7.55948e+01 284.901 1.20141e+01 284.901 0.8740 
1 1 1 11 6  48 o 6  1.20087e+02 5.56238e+00 1.70300e+02 350.732 1.93952e+01  -3.16478e+00 0.00000e+00 0.00000e+00 1.00217e+02 350.732 7.00835e+01 170.733 0.9742 
1 1 1 11 6  49 o 9  5.88400e+01 9.18591e+00 2.96029e+01 222.611 -1.44562e+00 -1.32984e+00 0.00000e+00 0.00000e+00 6.41299e+01 222.611 3.45270e+01 222.611 0.6918 
1 1 1 11 6  51 o 9  1.06617e+02 5.41883e+00 1.31458e+02 104.958 -5.03614e+00 1.88498e+01  0.00000e+00 0.00000e+00 1.05613e+02 104.958 2.58454e+01 284.958 0.9740 
1 1 1 11 6  52 o 15 9.80048e+01 5.89075e+00 1.09906e+02 174.615 -1.38900e+01 1.30930e+00  0.00000e+00 0.00000e+00 1.04698e+02 174.615 5.20836e+00 354.615 0.9635 
1 1 1 11 6  53 o 3  5.78381e+01 8.47438e+00 1.06840e+02 25.450  7.49497e+00  3.56692e+00  0.00000e+00 0.00000e+00 1.58613e+01 25.450  9.09790e+01 205.450 0.9377 
1 1 1 11 6  54 o 8  1.07029e+02 4.89560e+00 1.23778e+02 75.111  5.51053e+00  2.07263e+01  0.00000e+00 0.00000e+00 1.11571e+02 75.111  1.22071e+01 255.111 0.9764 
1 1 1 11 6  55 o 4  2.49666e+01 8.12219e+00 9.21155e+01 6.753   3.35690e+00  3.97492e-01  0.00000e+00 0.00000e+00 4.54091e+01 186.753 1.37525e+02 186.753 0.8346 
1 1 1 11 6  56 o 19 3.68553e+01 9.49754e+00 3.83251e+01 318.589 1.68472e+00  -1.48585e+00 0.00000e+00 0.00000e+00 2.20507e+01 318.589 1.62744e+01 138.589 0.7344 
1 1 1 11 6  57 o 14 2.63108e+01 8.31483e+00 4.00938e+01 231.771 -1.06287e+00 -1.34926e+00 0.00000e+00 0.00000e+00 2.39046e+00 51.771  4.24842e+01 51.771  0.6455 
1 1 1 11 6  58 o 12 3.54066e+01 9.99023e+00 5.46038e+01 49.759  2.24426e+00  2.65186e+00  0.00000e+00 0.00000e+00 1.10735e+01 49.759  4.35303e+01 229.759 0.8397 
1 1 1 11 6  59 o 7  1.55844e+02 5.68141e+00 1.54626e+02 155.935 -5.16560e+01 2.30695e+01  0.00000e+00 0.00000e+00 1.84853e+02 155.935 3.02268e+01 155.935 0.9911 
1 1 1 11 6  60 o 9  3.75092e+01 1.07150e+01 3.08092e+01 100.864 -4.15053e-01 2.16272e+00  0.00000e+00 0.00000e+00 2.89266e+01 100.864 1.88267e+00 280.864 0.7283 
1 1 1 11 6  61 o 18 3.30890e+01 1.02366e+01 1.80107e+01 117.069 -5.90369e-01 1.15520e+00  0.00000e+00 0.00000e+00 2.09921e+01 117.069 2.98138e+00 117.069 0.5419 
1 1 1 11 6  62 o 16 3.51551e+01 1.01277e+01 4.15452e+01 206.520 -3.09953e+00 -1.54675e+00 0.00000e+00 0.00000e+00 2.22885e+01 206.520 1.92567e+01 26.520  0.8392 
1 1 1 11 7  0  o 19 1.80267e+02 4.70112e+00 1.76777e+02 0.000   2.69485e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.80274e+02 0.000   1.03498e+02 0.000   0.9909 
1 1 1 11 7  1  o 7  3.66227e+02 3.23359e+00 4.29300e+02 142.357 -2.10460e+01 1.62328e+01  0.00000e+00 0.00000e+00 4.89909e+02 142.357 6.06097e+01 142.357 0.9810 
1 1 1 11 7  2  o 5  3.26753e+02 3.12675e+00 3.85829e+02 325.527 1.75419e+01  -1.20441e+01 0.00000e+00 0.00000e+00 4.30190e+02 325.527 4.43613e+01 325.527 0.9762 
1 1 1 11 7  3  o 5  3.96623e+02 3.46212e+00 4.70979e+02 247.878 -1.18331e+01 -2.91089e+01 0.00000e+00 0.00000e+00 5.27176e+02 247.878 5.61969e+01 247.878 0.9840 
1 1 1 11 7  4  o 7  3.58782e+02 3.48015e+00 4.32944e+02 98.205  -3.71358e+00 2.57559e+01  0.00000e+00 0.00000e+00 4.66620e+02 98.205  3.36757e+01 98.205  0.9806 
1 1 1 11 7  5  o 10 3.00311e+02 3.57170e+00 3.80649e+02 196.913 -1.54902e+01 -4.71019e+00 0.00000e+00 0.00000e+00 3.62822e+02 196.913 1.78273e+01 16.913  0.9686 
1 1 1 11 7  6  o 3  2.16485e+02 3.76662e+00 4.79575e+02 102.225 -3.09163e+00 1.42688e+01  0.00000e+00 0.00000e+00 5.41880e+01 102.225 4.25387e+02 282.225 0.9651 
1 1 1 11 7  7  o 2  1.17778e+02 5.74122e+00 2.63465e+02 282.898 9.62990e-01  -4.20541e+00 0.00000e+00 0.00000e+00 4.56348e-01 102.898 2.63921e+02 102.898 0.8746 
1 1 1 11 7  8  o 10 4.91773e+02 4.99330e+00 6.34351e+02 230.272 -2.75072e+01 -3.30998e+01 0.00000e+00 0.00000e+00 6.05793e+02 230.272 2.85582e+01 50.272  0.9883 
1 1 1 11 7  9  o 10 1.56067e+02 4.73934e+00 2.93173e+02 31.324  5.33944e+00  3.24953e+00  0.00000e+00 0.00000e+00 7.13624e+01 31.324  2.21811e+02 211.324 0.9161 
1 1 1 11 7  10 o 9  1.44977e+02 4.98175e+00 1.37304e+02 53.278  2.12973e+00  2.85492e+00  0.00000e+00 0.00000e+00 1.74526e+02 53.278  3.72228e+01 53.278  0.8443 
1 1 1 11 7  11 o 2  1.12122e+02 5.67941e+00 3.21847e+02 122.671 -3.43402e+00 5.35495e+00  0.00000e+00 0.00000e+00 5.99645e+01 302.671 3.81812e+02 302.671 0.9176 
1 1 1 11 7  12 o 12 3.78617e+02 3.67835e+00 5.11050e+02 172.779 -3.34990e+01 4.24447e+00  0.00000e+00 0.00000e+00 4.37337e+02 172.779 7.37123e+01 352.779 0.9851 
1 1 1 11 7  13 o 13 3.38520e+02 3.80413e+00 4.27030e+02 324.243 1.93928e+01  -1.39642e+01 0.00000e+00 0.00000e+00 4.14648e+02 324.243 1.23817e+01 144.243 0.9788 
1 1 1 11 7  14 o 4  4.45093e+02 3.92190e+00 6.10677e+02 296.665 1.98325e+01  -3.94932e+01 0.00000e+00 0.00000e+00 5.05725e+02 296.665 1.04952e+02 116.665 0.9886 
1 1 1 11 7  15 o 17 2.91333e+02 3.41816e+00 4.30362e+02 199.186 -2.35221e+01 -8.18468e+00 0.00000e+00 0.00000e+00 2.92885e+02 199.186 1.37477e+02 19.186  0.9797 
1 1 1 11 7  16 o 11 3.38042e+02 3.30182e+00 5.70947e+02 329.342 3.23878e+01  -1.91980e+01 0.00000e+00 0.00000e+00 2.73049e+02 329.342 2.97898e+02 149.342 0.9866 
1 1 1 11 7  17 o 6  3.19823e+02 3.26119e+00 3.26054e+02 188.568 -1.97354e+01 -2.97343e+00 0.00000e+00 0.00000e+00 4.61610e+02 188.568 1.35556e+02 188.568 0.9746 
1 1 1 11 7  18 o 14 5.77042e+02 4.35527e+00 7.30370e+02 68.368  3.31501e+01  8.35912e+01  0.00000e+00 0.00000e+00 7.17472e+02 68.368  1.28988e+01 248.368 0.9944 
1 1 1 11 7  19 o 12 5.97190e+02 4.29261e+00 6.55796e+02 158.257 -7.68060e+01 3.06311e+01  0.00000e+00 0.00000e+00 8.39472e+02 158.257 1.83676e+02 158.257 0.9939 
1 1 1 11 7  20 o 12 1.98622e+02 3.51509e+00 3.36725e+02 163.422 -1.32714e+01 3.95080e+00  0.00000e+00 0.00000e+00 1.44397e+02 163.422 1.92328e+02 343.422 0.9632 
1 1 1 11 7  21 o 16 2.39487e+02 3.65396e+00 1.79775e+02 55.241  5.32035e+00  7.66659e+00  0.00000e+00 0.00000e+00 3.88255e+02 55.241  2.08479e+02 55.241  0.9448 
1 1 1 11 7  22 o 11 1.80262e+02 3.70058e+00 1.68544e+02 312.515 4.35479e+00  -4.74997e+00 0.00000e+00 0.00000e+00 2.46454e+02 312.515 7.79103e+01 312.515 0.9187 
1 1 1 11 7  24 o 9  2.85275e+01 8.99649e+00 7.17097e+01 270.797 6.74267e-03  -4.84698e-01 0.00000e+00 0.00000e+00 5.49404e+01 90.797  1.26650e+02 90.797  0.2355 
1 1 1 11 7  25 o 7  3.63813e+02 3.68646e+00 1.76199e+02 358.236 1.51213e+01  -4.65624e-01 0.00000e+00 0.00000e+00 6.99433e+02 358.236 5.23234e+02 358.236 0.9664 
1 1 1 11 7  26 o 12 2.96148e+02 3.35547e+00 3.42373e+02 255.772 -6.58048e+00 -2.59523e+01 0.00000e+00 0.00000e+00 3.79714e+02 255.772 3.73406e+01 255.772 0.9811 
1 1 1 11 7  28 o 8  3.02799e+02 3.57129e+00 2.56381e+02 353.910 2.42804e+01  -2.59037e+00 0.00000e+00 0.00000e+00 4.77113e+02 353.910 2.20732e+02 353.910 0.9793 
1 1 1 11 7  29 o 10 2.07544e+02 3.61837e+00 1.98085e+02 41.191  1.12055e+01  9.80657e+00  0.00000e+00 0.00000e+00 2.96524e+02 41.191  9.84382e+01 41.191  0.9658 
1 1 1 11 7  30 o 13 1.70536e+02 3.94236e+00 9.44955e+01 282.390 1.17069e+00  -5.32922e+00 0.00000e+00 0.00000e+00 2.84514e+02 282.390 1.90018e+02 282.390 0.9030 
1 1 1 11 7  31 o 4  2.36698e+02 4.55833e+00 1.95506e+02 97.432  -1.97102e+00 1.51109e+01  0.00000e+00 0.00000e+00 3.66130e+02 97.432  1.70624e+02 97.432  0.9666 
1 1 1 11 7  32 o 3  2.15508e+02 7.95033e+00 1.71102e+02 99.794  -2.29887e+00 1.33172e+01  0.00000e+00 0.00000e+00 3.36570e+02 99.794  1.65468e+02 99.794  0.9623 
1 1 1 11 7  33 o 2  2.73149e+01 8.69014e+00 7.87161e+01 241.802 -3.95348e-01 -7.37374e-01 0.00000e+00 0.00000e+00 5.30073e+01 61.802  1.31723e+02 61.802  0.3855 
1 1 1 11 7  34 o 4  9.43958e+01 5.85700e+00 1.90593e+02 69.310  2.85165e+00  7.55069e+00  0.00000e+00 0.00000e+00 2.44404e+01 69.310  1.66152e+02 249.310 0.9358 
1 1 1 11 7  35 o 5  4.87009e+01 9.99400e+00 1.04846e+02 133.578 -1.49112e+00 1.56705e+00  0.00000e+00 0.00000e+00 1.94122e+01 313.578 1.24259e+02 313.578 0.7228 
1 1 1 11 7  36 o 13 1.38142e+02 5.46243e+00 1.79378e+02 174.577 -1.07586e+01 1.02133e+00  0.00000e+00 0.00000e+00 1.39000e+02 174.577 4.03779e+01 354.577 0.9525 
1 1 1 11 7  37 o 10 1.37780e+02 4.57068e+00 1.71654e+02 80.483  2.20037e+00  1.31253e+01  0.00000e+00 0.00000e+00 1.47923e+02 80.483  2.37307e+01 260.483 0.9617 
1 1 1 11 7  38 o 17 9.36555e+01 5.85990e+00 1.22542e+02 352.080 5.80208e+00  -8.07161e-01 0.00000e+00 0.00000e+00 8.23759e+01 352.080 4.01658e+01 172.080 0.9101 
1 1 1 11 7  39 o 9  8.08289e+01 6.89551e+00 5.01987e+01 45.490  1.89851e+00  1.93127e+00  0.00000e+00 0.00000e+00 1.02007e+02 45.490  5.18081e+01 45.490  0.7859 
1 1 1 11 7  40 o 13 4.55078e+01 1.03375e+01 4.31340e+01 347.251 1.25008e+00  -2.82838e-01 0.00000e+00 0.00000e+00 1.52621e+01 347.251 2.78719e+01 167.251 0.5374 
1 1 1 11 7  41 o 7  1.75098e+02 3.94543e+00 2.20229e+02 150.926 -2.36061e+01 1.31250e+01  0.00000e+00 0.00000e+00 1.88661e+02 150.926 3.15677e+01 330.926 0.9813 
1 1 1 11 7  42 o 5  3.19929e+01 9.48024e+00 6.43416e+01 143.427 -1.09169e+00 8.09965e-01  0.00000e+00 0.00000e+00 2.19055e+01 323.427 8.62470e+01 323.427 0.5594 
1 1 1 11 7  43 f 0  3.83308e+01 1.04535e+01 9.24400e+01 195.394 -2.32870e+00 -6.41165e-01 0.00000e+00 0.00000e+00 2.40274e+01 15.394  1.16467e+02 15.394  0.7555 
1 1 1 11 7  44 o 11 1.08784e+02 5.71446e+00 1.03794e+02 294.776 4.28434e+00  -9.28226e+00 0.00000e+00 0.00000e+00 1.39380e+02 294.776 3.55859e+01 294.776 0.9498 
1 1 1 11 7  45 o 16 1.59592e+02 4.79390e+00 1.48079e+02 217.223 -1.51073e+01 -1.14764e+01 0.00000e+00 0.00000e+00 2.16107e+02 217.223 6.80275e+01 217.223 0.9733 
1 1 1 11 7  46 o 8  1.34169e+02 4.75320e+00 1.50441e+02 24.205  1.91470e+01  8.60721e+00  0.00000e+00 0.00000e+00 1.55346e+02 24.205  4.90455e+00 24.205  0.9759 
1 1 1 11 7  47 o 3  3.30404e+01 9.68335e+00 3.69707e+01 290.256 3.82462e-01  -1.03638e+00 0.00000e+00 0.00000e+00 9.34995e-02 290.256 3.68773e+01 110.256 0.4823 
1 1 1 11 7  48 o 4  3.83771e+01 1.04105e+01 5.47783e+01 118.892 -1.04223e+00 1.88862e+00  0.00000e+00 0.00000e+00 9.40663e+00 118.892 4.53717e+01 298.892 0.7220 
1 1 1 11 7  50 o 11 1.31197e+02 4.83734e+00 1.17732e+02 142.886 -1.68971e+01 1.27854e+01  0.00000e+00 0.00000e+00 1.76439e+02 142.886 5.87068e+01 142.886 0.9761 
1 1 1 11 7  51 f 0  1.12980e+02 5.48554e+00 1.44693e+02 134.123 -1.49808e+01 1.54463e+01  0.00000e+00 0.00000e+00 1.07626e+02 134.123 3.70675e+01 314.123 0.9765 
1 1 1 11 7  52 o 9  1.07669e+02 5.51216e+00 1.24114e+02 184.825 -1.83526e+01 -1.54905e+00 0.00000e+00 0.00000e+00 1.14293e+02 184.825 9.82102e+00 4.825   0.9725 
1 1 1 11 7  53 o 18 1.16940e+02 5.80346e+00 1.18092e+02 49.519  1.44006e+01  1.68725e+01  0.00000e+00 0.00000e+00 1.40927e+02 49.519  2.28343e+01 49.519  0.9772 
1 1 1 11 7  54 o 8  1.07078e+02 5.78298e+00 1.45352e+02 209.798 -2.11929e+01 -1.21361e+01 0.00000e+00 0.00000e+00 9.12403e+01 209.798 5.41118e+01 29.798  0.9793 
1 1 1 11 7  55 o 11 1.11679e+02 5.60745e+00 1.61945e+02 263.074 -3.91291e+00 -3.22114e+01 0.00000e+00 0.00000e+00 8.49500e+01 263.074 7.69951e+01 83.074  0.9845 
1 1 1 11 7  56 o 11 9.43582e+01 5.84673e+00 6.83740e+01 112.452 -4.32897e+00 1.04760e+01  0.00000e+00 0.00000e+00 1.32980e+02 112.452 6.46063e+01 112.452 0.9548 
1 1 1 11 7  57 o 6  4.10076e+01 9.73606e+00 4.69971e+01 170.261 -3.20128e+00 5.49469e-01  0.00000e+00 0.00000e+00 2.84074e+01 170.261 1.85897e+01 350.261 0.8268 
1 1 1 11 7  58 o 3  4.18214e+01 9.93394e+00 1.57741e+01 160.102 -1.16374e+00 4.21225e-01  0.00000e+00 0.00000e+00 3.27495e+01 160.102 1.69755e+01 160.102 0.5243 
1 1 1 11 7  59 o 9  6.24798e+01 7.96844e+00 5.00229e+01 236.622 -3.70584e+00 -5.62485e+00 0.00000e+00 0.00000e+00 7.68840e+01 236.622 2.68611e+01 236.622 0.9225 
1 1 1 11 7  60 f 0  3.12192e+01 8.90050e+00 4.62286e+01 113.527 -1.34715e+00 3.09430e+00  0.00000e+00 0.00000e+00 1.08281e+01 113.527 3.54005e+01 293.527 0.8343 
1 1 1 11 7  61 o 17 5.54307e+01 1.06037e+01 3.96441e+01 275.811 4.65125e-01  -4.57033e+00 0.00000e+00 0.00000e+00 6.70221e+01 275.811 2.73780e+01 275.811 0.8830 
1 1 1 11 8  0  o 17 2.77299e+01 1.69562e+01 2.89104e+02 180.000 -7.02984e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.45998e+02 0.000   5.35102e+02 0.000   0.6063 
1 1 1 11 8  1  o 16 4.42248e+02 5.05221e+00 3.86658e+02 19.043  2.91038e+01  1.00456e+01  0.00000e+00 0.00000e+00 7.28702e+02 19.043  3.42043e+02 19.043  0.9836 
1 1 1 11 8  2  o 14 8.18695e+01 7.72469e+00 8.44502e+01 139.544 -9.38036e-01 7.99922e-01  0.00000e+00 0.00000e+00 2.52836e+01 139.544 5.91666e+01 319.544 0.5228 
1 1 1 11 8  3  o 13 1.89193e+02 4.14383e+00 2.30976e+02 291.433 2.86606e+00  -7.30096e+00 0.00000e+00 0.00000e+00 2.21889e+02 291.433 9.08655e+00 111.433 0.9339 
1 1 1 11 8  4  o 5  2.90757e+02 3.58570e+00 2.88157e+02 335.026 1.35854e+01  -6.32742e+00 0.00000e+00 0.00000e+00 4.31562e+02 335.026 1.43405e+02 335.026 0.9660 
1 1 1 11 8  5  o 5  3.54505e+02 3.98953e+00 3.51741e+02 321.721 1.73981e+01  -1.37300e+01 0.00000e+00 0.00000e+00 5.35547e+02 321.721 1.83805e+02 321.721 0.9772 
1 1 1 11 8  6  o 14 5.77714e+02 4.27319e+00 7.49256e+02 154.026 -6.86563e+01 3.34468e+01  0.00000e+00 0.00000e+00 7.20056e+02 154.026 2.92001e+01 334.026 0.9934 
1 1 1 11 8  7  o 1  8.63326e+02 5.80490e+00 1.13278e+03 338.750 1.58976e+02  -6.18229e+01 0.00000e+00 0.00000e+00 1.06974e+03 338.750 6.30428e+01 158.750 0.9971 
1 1 1 11 8  8  o 6  2.22942e+02 3.65247e+00 3.44679e+02 61.161  6.19128e+00  1.12436e+01  0.00000e+00 0.00000e+00 2.02717e+02 61.161  1.41962e+02 241.161 0.9602 
1 1 1 11 8  9  o 16 4.01701e+02 3.82599e+00 4.90964e+02 91.322  -7.52095e-01 3.25839e+01  0.00000e+00 0.00000e+00 5.19583e+02 91.322  2.86192e+01 91.322  0.9845 
1 1 1 11 8  10 o 13 4.30231e+02 3.79390e+00 4.68780e+02 282.115 6.91546e+00  -3.22168e+01 0.00000e+00 0.00000e+00 6.12837e+02 282.115 1.44057e+02 282.115 0.9847 
1 1 1 11 8  11 o 2  1.39554e+02 5.03580e+00 3.82272e+02 179.618 -8.58749e+00 5.73169e-02  0.00000e+00 0.00000e+00 4.77191e+01 359.618 4.29991e+02 359.618 0.9398 
1 1 1 11 8  12 o 14 4.04231e+02 3.69226e+00 3.55640e+02 146.015 -2.35672e+01 1.58871e+01  0.00000e+00 0.00000e+00 6.56151e+02 146.015 3.00511e+02 146.015 0.9822 
1 1 1 11 8  13 o 1  3.05099e+02 3.54116e+00 3.05398e+02 191.479 -1.77956e+01 -3.61379e+00 0.00000e+00 0.00000e+00 4.49535e+02 191.479 1.44137e+02 191.479 0.9721 
1 1 1 11 8  14 o 5  3.56154e+02 3.63732e+00 4.28837e+02 61.840  1.57348e+01  2.93939e+01  0.00000e+00 0.00000e+00 4.63011e+02 61.840  3.41737e+01 61.840  0.9849 
1 1 1 11 8  15 o 1  9.66613e+01 6.54533e+00 1.63523e+02 232.868 -2.03569e+00 -2.68850e+00 0.00000e+00 0.00000e+00 4.12233e+01 232.868 1.22300e+02 52.868  0.8341 
1 1 1 11 8  16 o 4  3.56966e+02 3.47552e+00 5.35363e+02 235.591 -2.28734e+01 -3.33939e+01 0.00000e+00 0.00000e+00 3.58635e+02 235.591 1.76729e+02 55.591  0.9876 
1 1 1 11 8  17 o 10 4.72050e+02 3.99636e+00 6.66412e+02 117.019 -2.99436e+01 5.87193e+01  0.00000e+00 0.00000e+00 5.19881e+02 117.019 1.46532e+02 297.019 0.9924 
1 1 1 11 8  18 o 3  1.46150e+02 4.26827e+00 2.65623e+02 346.524 7.75847e+00  -1.85915e+00 0.00000e+00 0.00000e+00 7.99204e+01 346.524 1.85702e+02 166.524 0.9351 
1 1 1 11 8  19 o 9  1.25639e+02 4.86912e+00 2.36164e+02 112.300 -2.42578e+00 5.91464e+00  0.00000e+00 0.00000e+00 5.50216e+01 112.300 1.81142e+02 292.300 0.9181 
1 1 1 11 8  20 o 1  5.02400e+02 4.07022e+00 5.52858e+02 340.938 6.18154e+01  -2.13596e+01 0.00000e+00 0.00000e+00 7.03600e+02 340.938 1.50742e+02 340.938 0.9923 
1 1 1 11 8  21 o 10 3.54919e+02 5.04954e+00 3.85527e+02 346.382 3.06227e+01  -7.41883e+00 0.00000e+00 0.00000e+00 4.93093e+02 346.382 1.07566e+02 346.382 0.9840 
1 1 1 11 8  22 o 12 2.60143e+02 3.57513e+00 2.46665e+02 49.000  1.02106e+01  1.17458e+01  0.00000e+00 0.00000e+00 3.85242e+02 49.000  1.38577e+02 49.000  0.9673 
1 1 1 11 8  23 o 16 1.96689e+02 3.88089e+00 3.39531e+02 239.461 -8.04456e+00 -1.36357e+01 0.00000e+00 0.00000e+00 1.37593e+02 239.461 2.01938e+02 59.461  0.9679 
1 1 1 11 8  24 o 15 4.82185e+02 4.02118e+00 5.57395e+02 325.867 5.90534e+01  -4.00320e+01 0.00000e+00 0.00000e+00 6.40161e+02 325.867 8.27661e+01 325.867 0.9930 
1 1 1 11 8  25 o 10 3.64402e+02 8.32438e+00 4.93390e+02 281.848 1.00044e+01  -4.76896e+01 0.00000e+00 0.00000e+00 4.06745e+02 281.848 8.66446e+01 101.848 0.9897 
1 1 1 11 8  26 o 5  1.38972e+02 4.88459e+00 1.76097e+02 152.148 -6.84659e+00 3.61778e+00  0.00000e+00 0.00000e+00 1.46813e+02 152.148 2.92835e+01 332.148 0.9330 
1 1 1 11 8  27 o 9  5.15857e+01 1.01992e+01 5.54747e+01 187.640 -8.50804e-01 -1.14130e-01 0.00000e+00 0.00000e+00 4.97460e+00 7.640   6.04493e+01 7.640   0.3940 
1 1 1 11 8  28 o 9  2.01447e+02 3.90258e+00 1.71725e+02 229.453 -8.04629e+00 -9.40542e+00 0.00000e+00 0.00000e+00 3.07015e+02 229.453 1.35290e+02 229.453 0.9587 
1 1 1 11 8  29 o 14 1.97444e+02 3.93375e+00 1.70143e+02 80.956  1.76923e+00  1.11158e+01  0.00000e+00 0.00000e+00 2.95870e+02 80.956  1.25726e+02 80.956  0.9545 
1 1 1 11 8  31 o 8  2.35487e+02 3.91455e+00 3.26220e+02 294.287 1.28821e+01  -2.85477e+01 0.00000e+00 0.00000e+00 2.43753e+02 294.287 8.24667e+01 114.287 0.9839 
1 1 1 11 8  32 o 5  2.29396e+02 3.60616e+00 3.05339e+02 5.417   3.22314e+01  3.05614e+00  0.00000e+00 0.00000e+00 2.48683e+02 5.417   5.66563e+01 185.417 0.9844 
1 1 1 11 8  33 o 9  3.87299e+01 8.15990e+00 1.16142e+02 17.605  1.88412e+00  5.97860e-01  0.00000e+00 0.00000e+00 5.03937e+01 197.605 1.66536e+02 197.605 0.6939 
1 1 1 11 8  34 o 4  1.83289e+02 3.84370e+00 2.10683e+02 208.781 -1.52022e+01 -8.35087e+00 0.00000e+00 0.00000e+00 2.23345e+02 208.781 1.26627e+01 208.781 0.9707 
1 1 1 11 8  35 o 12 2.11084e+02 3.66150e+00 2.20714e+02 320.624 1.79026e+01  -1.46926e+01 0.00000e+00 0.00000e+00 2.81464e+02 320.624 6.07505e+01 320.624 0.9782 
1 1 1 11 8  36 o 17 1.58313e+02 4.24478e+00 1.95619e+02 206.809 -1.55449e+01 -7.85523e+00 0.00000e+00 0.00000e+00 1.77055e+02 206.809 1.85637e+01 26.809  0.9709 
1 1 1 11 8  37 o 3  1.37943e+02 4.73928e+00 2.69513e+02 355.913 1.90281e+01  -1.35963e+00 0.00000e+00 0.00000e+00 5.50461e+01 355.913 2.14467e+02 175.913 0.9734 
1 1 1 11 8  38 o 15 4.67320e+01 9.72869e+00 4.57911e+01 312.788 9.34020e-01  -1.00909e+00 0.00000e+00 0.00000e+00 1.76739e+01 312.788 2.81172e+01 132.788 0.5637 
1 1 1 11 8  39 o 3  1.86017e+02 3.90304e+00 1.80368e+02 190.294 -2.32105e+01 -4.21555e+00 0.00000e+00 0.00000e+00 2.56738e+02 190.294 7.63695e+01 190.294 0.9786 
1 1 1 11 8  40 o 13 1.68617e+02 4.04465e+00 1.71212e+02 270.529 1.86802e-01  -2.02212e+01 0.00000e+00 0.00000e+00 2.22200e+02 270.529 5.09887e+01 270.529 0.9750 
1 1 1 11 8  41 o 6  2.87007e+01 9.16060e+00 3.74695e+01 295.776 3.41800e-01  -7.07815e-01 0.00000e+00 0.00000e+00 1.24541e+01 115.776 4.99235e+01 115.776 0.3655 
1 1 1 11 8  42 o 4  2.25782e+02 3.83875e+00 2.66635e+02 30.908  3.81888e+01  2.28626e+01  0.00000e+00 0.00000e+00 2.63816e+02 30.908  2.81868e+00 210.908 0.9887 
1 1 1 11 8  43 o 18 1.24965e+02 5.11450e+00 1.55709e+02 12.097  1.73942e+01  3.72794e+00  0.00000e+00 0.00000e+00 1.31712e+02 12.097  2.39970e+01 192.097 0.9715 
1 1 1 11 8  44 o 11 1.29301e+02 4.97102e+00 1.93938e+02 122.728 -1.09019e+01 1.69634e+01  0.00000e+00 0.00000e+00 1.03380e+02 122.728 9.05577e+01 302.728 0.9749 
1 1 1 11 8  45 o 14 8.68418e+01 6.81090e+00 9.05491e+01 13.690  7.75049e+00  1.88792e+00  0.00000e+00 0.00000e+00 1.00243e+02 13.690  9.69435e+00 13.690  0.9350 
1 1 1 11 8  46 o 12 3.62978e+01 9.77028e+00 2.55524e+01 234.637 -4.86354e-01 -6.85312e-01 0.00000e+00 0.00000e+00 7.32252e+00 234.637 1.82299e+01 54.637  0.3870 
1 1 1 11 8  47 o 10 9.28928e+01 6.49022e+00 1.46914e+02 167.272 -1.48971e+01 3.36496e+00  0.00000e+00 0.00000e+00 6.24112e+01 167.272 8.45029e+01 347.272 0.9667 
1 1 1 11 8  49 f 0  4.91226e+01 1.21636e+01 7.98786e+01 195.992 -4.34257e+00 -1.24456e+00 0.00000e+00 0.00000e+00 2.01526e+01 195.992 5.97259e+01 15.992  0.8808 
1 1 1 11 8  50 o 2  3.89392e+01 1.06003e+01 6.72838e+01 292.786 1.19430e+00  -2.84303e+00 0.00000e+00 0.00000e+00 5.85928e+00 292.786 6.14245e+01 112.786 0.8160 
1 1 1 11 8  51 o 16 3.17945e+01 9.48056e+00 2.47220e+01 94.476  -7.77582e-02 9.93384e-01  0.00000e+00 0.00000e+00 7.71501e+00 94.476  1.70070e+01 274.476 0.4451 
1 1 1 11 8  52 o 2  7.69171e+01 7.26839e+00 1.15909e+02 124.492 -7.88799e+00 1.14805e+01  0.00000e+00 0.00000e+00 5.31792e+01 124.492 6.27301e+01 304.492 0.9634 
1 1 1 11 8  53 o 5  3.24326e+01 9.58916e+00 3.30620e+01 290.177 5.36033e-01  -1.45872e+00 0.00000e+00 0.00000e+00 1.18200e+01 290.177 2.12420e+01 110.177 0.6092 
1 1 1 11 8  54 o 16 5.35704e+01 1.00364e+01 8.22671e+01 195.131 -6.73839e+00 -1.82209e+00 0.00000e+00 0.00000e+00 2.98115e+01 195.131 5.24556e+01 15.131  0.9253 
1 1 1 11 8  55 o 3  1.38912e+02 5.74215e+00 1.23262e+02 59.649  1.53636e+01  2.62378e+01  0.00000e+00 0.00000e+00 1.84166e+02 59.649  6.09045e+01 59.649  0.9834 
1 1 1 11 8  56 o 10 8.03341e+01 6.99627e+00 4.78429e+01 300.016 3.57331e+00  -6.18518e+00 0.00000e+00 0.00000e+00 1.18964e+02 300.016 7.11208e+01 300.016 0.9271 
1 1 1 11 8  57 o 4  4.43013e+01 8.55027e+00 4.44061e+01 160.172 -3.69341e+00 1.33179e+00  0.00000e+00 0.00000e+00 4.05707e+01 160.172 3.83546e+00 340.171 0.8606 
1 1 1 11 8  58 o 11 4.41043e+01 1.04427e+01 5.17976e+01 256.281 -1.06043e+00 -4.34385e+00 0.00000e+00 0.00000e+00 3.42275e+01 256.281 1.75700e+01 76.281  0.8795 
1 1 1 11 8  59 o 16 5.54785e+01 9.66508e+00 7.90534e+01 228.849 -6.28324e+00 -7.18958e+00 0.00000e+00 0.00000e+00 3.67660e+01 228.849 4.22874e+01 48.849  0.9461 
1 1 1 11 8  60 o 1  2.78361e+01 8.87234e+00 2.24023e+01 244.200 -6.19246e-01 -1.28098e+00 0.00000e+00 0.00000e+00 1.28246e+01 244.200 9.57766e+00 64.200  0.5765 
1 1 1 11 9  0  o 9  2.74944e+02 4.83688e+00 3.22612e+02 180.000 -7.24980e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.84084e+02 180.000 6.14719e+01 180.000 1.0000 
1 1 1 11 9  1  o 18 3.56496e+02 3.57766e+00 4.26911e+02 56.054  1.38810e+01  2.06211e+01  0.00000e+00 0.00000e+00 4.70736e+02 56.054  4.38258e+01 56.054  0.9797 
1 1 1 11 9  2  o 3  3.46439e+02 3.56601e+00 4.31598e+02 317.705 1.80326e+01  -1.64056e+01 0.00000e+00 0.00000e+00 4.40253e+02 317.705 8.65477e+00 317.705 0.9793 
1 1 1 11 9  3  o 19 3.63528e+02 3.73994e+00 3.63765e+02 300.035 1.07568e+01  -1.86050e+01 0.00000e+00 0.00000e+00 5.48260e+02 300.035 1.84495e+02 300.035 0.9765 
1 1 1 11 9  4  o 19 5.04841e+02 4.18444e+00 6.98912e+02 17.915  6.74221e+01  2.17961e+01  0.00000e+00 0.00000e+00 5.88615e+02 17.915  1.10297e+02 197.915 0.9929 
1 1 1 11 9  5  o 17 3.75721e+02 3.97358e+00 4.91490e+02 344.017 3.54766e+01  -1.01615e+01 0.00000e+00 0.00000e+00 4.60033e+02 344.017 3.14569e+01 164.017 0.9864 
1 1 1 11 9  6  o 9  3.37897e+02 3.65680e+00 5.11922e+02 116.928 -1.55631e+01 3.06395e+01  0.00000e+00 0.00000e+00 3.42523e+02 116.928 1.69399e+02 296.928 0.9853 
1 1 1 11 9  7  f 0  2.00397e+02 3.98741e+00 3.12384e+02 155.261 -1.12027e+01 5.16184e+00  0.00000e+00 0.00000e+00 1.80315e+02 155.261 1.32069e+02 335.261 0.9586 
1 1 1 11 9  8  f 0  4.88936e+02 3.92078e+00 5.50510e+02 146.764 -4.39814e+01 2.88195e+01  0.00000e+00 0.00000e+00 6.90774e+02 146.764 1.40264e+02 146.764 0.9904 
1 1 1 11 9  9  o 11 7.69866e+01 7.56374e+00 1.93487e+02 131.035 -1.87247e+00 2.15137e+00  0.00000e+00 0.00000e+00 3.60444e+01 311.035 2.29531e+02 311.035 0.7984 
1 1 1 11 9  10 o 7  1.20589e+02 4.90565e+00 1.85914e+02 202.161 -4.51400e+00 -1.83850e+00 0.00000e+00 0.00000e+00 8.88742e+01 202.161 9.70394e+01 22.161  0.8904 
1 1 1 11 9  11 o 10 5.97171e+02 4.53002e+00 6.41857e+02 107.881 -2.53394e+01 7.85416e+01  0.00000e+00 0.00000e+00 8.75797e+02 107.881 2.33940e+02 107.881 0.9939 
1 1 1 11 9  12 o 19 4.36914e+02 4.22215e+00 5.44698e+02 51.576  3.15020e+01  3.97118e+01  0.00000e+00 0.00000e+00 5.60294e+02 51.576  1.55957e+01 51.576  0.9901 
1 1 1 11 9  13 o 3  5.34472e+01 1.01294e+01 2.14226e+02 147.062 -1.99009e+00 1.28934e+00  0.00000e+00 0.00000e+00 1.11910e+02 327.062 3.26136e+02 327.062 0.7502 
1 1 1 11 9  14 o 18 1.78522e+02 4.14556e+00 1.69699e+02 66.139  2.55903e+00  5.78545e+00  0.00000e+00 0.00000e+00 2.47599e+02 66.139  7.78998e+01 66.139  0.9171 
1 1 1 11 9  15 f 0  4.17854e+02 3.99095e+00 4.82795e+02 296.550 1.98478e+01  -3.97220e+01 0.00000e+00 0.00000e+00 5.68806e+02 296.550 8.60110e+01 296.550 0.9887 
1 1 1 11 9  16 o 6  2.88220e+02 3.76730e+00 3.08056e+02 333.699 1.72568e+01  -8.52930e+00 0.00000e+00 0.00000e+00 4.05335e+02 333.699 9.72790e+01 333.699 0.9737 
1 1 1 11 9  17 o 7  2.72135e+02 3.58961e+00 2.59339e+02 351.638 1.65697e+01  -2.43558e+00 0.00000e+00 0.00000e+00 4.10517e+02 351.638 1.51178e+02 351.638 0.9697 
1 1 1 11 9  18 o 10 9.94618e+01 1.83019e+01 1.93423e+02 354.759 4.08149e+00  -3.74407e-01 0.00000e+00 0.00000e+00 2.52019e+01 354.759 1.68221e+02 174.759 0.8672 
1 1 1 11 9  19 o 6  3.19794e+02 3.80925e+00 3.89873e+02 186.557 -3.04080e+01 -3.49536e+00 0.00000e+00 0.00000e+00 4.06067e+02 186.557 1.61940e+01 186.557 0.9835 
1 1 1 11 9  20 o 14 1.03922e+02 6.44023e+00 6.85476e+01 182.694 -1.69956e+00 -7.99756e-02 0.00000e+00 0.00000e+00 1.00040e+02 182.694 3.14924e+01 182.694 0.6421 
1 1 1 11 9  21 o 3  3.34451e+02 3.67440e+00 3.69907e+02 159.004 -3.12436e+01 1.19908e+01  0.00000e+00 0.00000e+00 4.60842e+02 159.004 9.09350e+01 159.004 0.9849 
1 1 1 11 9  22 o 6  3.42741e+02 3.66956e+00 3.58701e+02 251.479 -1.03531e+01 -3.09046e+01 0.00000e+00 0.00000e+00 4.90713e+02 251.479 1.32012e+02 251.479 0.9845 
1 1 1 11 9  24 o 3  2.42187e+02 3.77903e+00 3.23151e+02 148.741 -2.12891e+01 1.29229e+01  0.00000e+00 0.00000e+00 2.71752e+02 148.741 5.13988e+01 328.741 0.9797 
1 1 1 11 9  25 o 18 2.67121e+02 3.73614e+00 3.38553e+02 286.977 9.71100e+00  -3.18092e+01 0.00000e+00 0.00000e+00 3.19644e+02 286.977 1.89089e+01 106.977 0.9848 
1 1 1 11 9  26 o 15 1.58630e+02 4.61231e+00 2.05653e+02 66.038  4.75366e+00  1.06959e+01  0.00000e+00 0.00000e+00 1.73046e+02 66.038  3.26073e+01 246.038 0.9563 
1 1 1 11 9  27 o 7  8.69252e+01 7.42370e+00 1.04963e+02 140.883 -2.34965e+00 1.91065e+00  0.00000e+00 0.00000e+00 7.08570e+01 140.883 3.41058e+01 320.883 0.8121 
1 1 1 11 9  29 o 2  8.21945e+01 7.31508e+00 1.10270e+02 26.581  3.27481e+00  1.63855e+00  0.00000e+00 0.00000e+00 6.27319e+01 26.581  4.75379e+01 206.581 0.8491 
1 1 1 11 9  30 o 12 1.14807e+02 5.66970e+00 9.94431e+01 326.179 4.38605e+00  -2.93853e+00 0.00000e+00 0.00000e+00 1.55879e+02 326.179 5.64355e+01 326.179 0.8995 
1 1 1 11 9  31 o 17 2.25083e+02 4.00829e+00 2.78856e+02 292.201 1.08543e+01  -2.65964e+01 0.00000e+00 0.00000e+00 2.66440e+02 292.201 1.24161e+01 112.201 0.9824 
1 1 1 11 9  32 o 6  2.57738e+02 3.71058e+00 3.21248e+02 158.294 -3.50788e+01 1.39641e+01  0.00000e+00 0.00000e+00 3.04144e+02 158.294 1.71040e+01 338.294 0.9867 
1 1 1 11 9  33 o 17 1.07575e+02 5.77030e+00 1.04188e+02 273.560 3.06523e-01  -4.92728e+00 0.00000e+00 0.00000e+00 1.31106e+02 273.560 2.69179e+01 273.560 0.8919 
1 1 1 11 9  34 o 2  3.08083e+02 3.54774e+00 3.43310e+02 289.592 1.75017e+01  -4.91728e+01 0.00000e+00 0.00000e+00 4.02790e+02 289.592 5.94800e+01 289.592 0.9904 
1 1 1 11 9  35 o 4  3.45420e+02 3.71687e+00 3.77306e+02 113.107 -2.68728e+01 6.29799e+01  0.00000e+00 0.00000e+00 4.58665e+02 113.107 8.13588e+01 113.107 0.9927 
1 1 1 11 9  36 f 0  2.06918e+02 3.96474e+00 7.52669e+01 7.758   1.07584e+01  1.46571e+00  0.00000e+00 0.00000e+00 4.03911e+02 7.758   3.28644e+02 7.758   0.9528 
1 1 1 11 9  37 o 8  2.02305e+02 4.26829e+00 2.47763e+02 357.902 3.58305e+01  -1.31263e+00 0.00000e+00 0.00000e+00 2.35523e+02 357.902 1.22403e+01 177.902 0.9860 
1 1 1 11 9  38 o 2  1.84438e+02 4.34051e+00 2.39736e+02 187.792 -3.12579e+01 -4.27714e+00 0.00000e+00 0.00000e+00 1.98583e+02 187.792 4.11528e+01 7.792   0.9840 
1 1 1 11 9  39 o 3  1.26620e+02 5.78304e+00 1.98932e+02 13.411  1.73122e+01  4.12786e+00  0.00000e+00 0.00000e+00 9.71639e+01 13.411  1.01768e+02 193.411 0.9715 
1 1 1 11 9  40 o 19 5.59588e+01 8.56765e+00 3.76455e+01 263.285 -1.81237e-01 -1.53930e+00 0.00000e+00 0.00000e+00 4.40041e+01 263.285 6.35859e+00 263.285 0.6082 
1 1 1 11 9  41 o 7  2.10062e+02 4.09393e+00 2.18563e+02 266.625 -1.99146e+00 -3.37683e+01 0.00000e+00 0.00000e+00 2.76120e+02 266.625 5.75567e+01 266.625 0.9851 
1 1 1 11 9  42 o 17 1.07340e+02 5.97975e+00 1.26350e+02 15.910  1.06290e+01  3.02973e+00  0.00000e+00 0.00000e+00 1.17477e+02 15.910  8.87303e+00 195.910 0.9536 
1 1 1 11 9  43 o 17 1.30250e+02 4.95042e+00 1.63934e+02 314.541 1.52322e+01  -1.54783e+01 0.00000e+00 0.00000e+00 1.37982e+02 314.541 2.59518e+01 134.541 0.9767 
1 1 1 11 9  44 o 15 1.48170e+02 4.78339e+00 1.42162e+02 160.353 -2.07143e+01 7.39502e+00  0.00000e+00 0.00000e+00 2.00110e+02 160.353 5.79476e+01 160.353 0.9770 
1 1 1 11 9  45 o 3  9.16099e+01 6.44088e+00 1.44328e+02 163.862 -1.22174e+01 3.53511e+00  0.00000e+00 0.00000e+00 6.27786e+01 163.862 8.15498e+01 343.862 0.9598 
1 1 1 11 9  46 o 13 1.06408e+02 5.68912e+00 1.54576e+02 157.016 -1.85795e+01 7.88052e+00  0.00000e+00 0.00000e+00 8.88034e+01 157.016 6.57721e+01 337.016 0.9749 
1 1 1 11 9  48 o 3  3.17097e+01 1.00157e+01 3.31978e+01 348.005 1.30597e+00  -2.77459e-01 0.00000e+00 0.00000e+00 7.58419e+00 348.005 2.56136e+01 168.006 0.5527 
1 1 1 11 9  49 o 7  2.67597e+01 8.65151e+00 3.38281e+01 111.286 -4.08609e-01 1.04880e+00  0.00000e+00 0.00000e+00 3.49588e+00 291.286 3.73240e+01 291.286 0.4891 
1 1 1 11 9  50 o 1  8.84332e+01 6.85197e+00 8.90396e+01 84.201  1.07950e+00  1.06296e+01  0.00000e+00 0.00000e+00 1.05227e+02 84.201  1.61871e+01 84.201  0.9520 
1 1 1 11 9  51 o 17 1.45178e+02 5.07026e+00 1.50821e+02 210.508 -3.11087e+01 -1.83300e+01 0.00000e+00 0.00000e+00 1.78078e+02 210.508 2.72573e+01 210.508 0.9861 
1 1 1 11 9  52 o 6  3.34372e+01 9.83187e+00 6.99273e+00 234.791 -1.94564e-01 -2.75720e-01 0.00000e+00 0.00000e+00 5.73168e+00 234.791 1.26105e+00 54.791  0.1664 
1 1 1 11 9  53 o 10 9.82094e+01 7.72586e+00 1.13369e+02 27.371  1.69793e+01  8.79046e+00  0.00000e+00 0.00000e+00 1.04326e+02 27.371  9.04298e+00 207.371 0.9735 
1 1 1 11 9  54 o 7  1.06523e+02 6.89841e+00 7.84027e+01 262.784 -1.81956e+00 -1.43706e+01 0.00000e+00 0.00000e+00 1.54544e+02 262.784 7.61412e+01 262.784 0.9648 
1 1 1 11 9  55 o 10 6.99888e+01 9.45742e+00 1.04282e+02 274.812 1.05432e+00  -1.25231e+01 0.00000e+00 0.00000e+00 4.71869e+01 274.812 5.70948e+01 94.812  0.9594 
1 1 1 11 9  56 o 7  5.39091e+01 1.02036e+01 7.81404e+01 264.728 -7.25732e-01 -7.86490e+00 0.00000e+00 0.00000e+00 3.49477e+01 264.728 4.31927e+01 84.728  0.9344 
1 1 1 11 9  57 o 10 6.96250e+01 8.64993e+00 6.83490e+01 294.875 4.25454e+00  -9.17605e+00 0.00000e+00 0.00000e+00 7.93041e+01 294.875 1.09551e+01 294.875 0.9492 
1 1 1 11 9  58 o 9  2.39804e+01 8.11140e+00 4.20177e+01 9.530   2.33022e+00  3.91189e-01  0.00000e+00 0.00000e+00 2.07581e+00 189.530 4.40935e+01 189.530 0.7492 
1 1 1 11 9  59 o 11 3.34498e+01 1.00354e+01 3.92079e+01 73.204  8.23518e-01  2.72831e+00  0.00000e+00 0.00000e+00 1.98535e+01 73.204  1.93544e+01 253.204 0.7982 
1 1 1 11 10 0  o 15 2.33476e+02 4.97210e+00 2.55658e+02 180.000 -6.47855e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.46072e+02 180.000 9.04134e+01 180.000 1.0000 
1 1 1 11 10 1  o 19 1.95740e+02 3.81195e+00 3.16441e+02 357.688 1.34197e+01  -5.41911e-01 0.00000e+00 0.00000e+00 1.68855e+02 357.688 1.47587e+02 177.688 0.9620 
1 1 1 11 10 2  o 8  1.75654e+02 4.22807e+00 2.06374e+02 93.666  -5.01300e-01 7.82500e+00  0.00000e+00 0.00000e+00 2.16323e+02 93.666  9.94904e+00 93.666  0.9339 
1 1 1 11 10 3  o 17 4.04795e+02 3.55114e+00 4.53803e+02 358.923 3.96853e+01  -7.46301e-01 0.00000e+00 0.00000e+00 5.75840e+02 358.923 1.22038e+02 358.923 0.9873 
1 1 1 11 10 4  o 10 4.35431e+02 3.63866e+00 5.14105e+02 255.933 -1.17135e+01 -4.67465e+01 0.00000e+00 0.00000e+00 5.95650e+02 255.933 8.15451e+01 255.933 0.9896 
1 1 1 11 10 5  o 16 3.45524e+02 3.41158e+00 4.86613e+02 273.797 2.40645e+00  -3.62581e+01 0.00000e+00 0.00000e+00 3.90611e+02 273.797 9.60018e+01 93.797  0.9861 
1 1 1 11 10 6  o 13 8.07351e+01 7.23459e+00 1.93682e+02 304.800 1.89581e+00  -2.72769e+00 0.00000e+00 0.00000e+00 2.09920e+01 124.800 2.14674e+02 124.800 0.8312 
1 1 1 11 10 7  o 7  2.23109e+02 4.09389e+00 3.13874e+02 123.304 -8.19040e+00 1.24668e+01  0.00000e+00 0.00000e+00 2.40345e+02 123.304 7.35289e+01 303.304 0.9659 
1 1 1 11 10 8  o 19 5.39834e+02 4.44092e+00 5.48123e+02 47.149  4.24852e+01  4.57985e+01  0.00000e+00 0.00000e+00 8.28193e+02 47.149  2.80069e+02 47.149  0.9920 
1 1 1 11 10 9  o 12 2.82887e+02 4.03109e+00 2.77878e+02 151.672 -1.44897e+01 7.81112e+00  0.00000e+00 0.00000e+00 4.26230e+02 151.672 1.48352e+02 151.672 0.9691 
1 1 1 11 10 10 o 1  2.61286e+02 3.95160e+00 3.64305e+02 64.580  9.06590e+00  1.90754e+01  0.00000e+00 0.00000e+00 2.90132e+02 64.580  7.41724e+01 244.580 0.9760 
1 1 1 11 10 11 o 19 3.72406e+02 3.91523e+00 4.30809e+02 79.941  6.15250e+00  3.46832e+01  0.00000e+00 0.00000e+00 5.10337e+02 79.941  7.95281e+01 79.941  0.9857 
1 1 1 11 10 12 o 1  2.40942e+02 3.88228e+00 2.76219e+02 223.331 -1.05082e+01 -9.91311e+00 0.00000e+00 0.00000e+00 3.19153e+02 223.331 4.29334e+01 223.331 0.9647 
1 1 1 11 10 13 o 17 3.18416e+02 3.55035e+00 4.68023e+02 250.008 -1.21586e+01 -3.34195e+01 0.00000e+00 0.00000e+00 3.35126e+02 250.008 1.32897e+02 70.008  0.9858 
1 1 1 11 10 15 o 19 2.61147e+02 3.46386e+00 2.63909e+02 99.520  -2.64871e+00 1.57940e+01  0.00000e+00 0.00000e+00 3.81479e+02 99.520  1.17569e+02 99.520  0.9683 
1 1 1 11 10 16 o 17 1.67118e+02 4.23784e+00 2.18622e+02 257.945 -1.86750e+00 -8.74443e+00 0.00000e+00 0.00000e+00 1.82780e+02 257.945 3.58415e+01 77.945  0.9423 
1 1 1 11 10 17 o 8  4.67613e+02 3.74148e+00 4.66028e+02 357.849 5.25034e+01  -1.97218e+00 0.00000e+00 0.00000e+00 7.12828e+02 357.849 2.46801e+02 357.849 0.9904 
1 1 1 11 10 18 o 5  1.96206e+02 3.84610e+00 2.71468e+02 83.024  1.75639e+00  1.43543e+01  0.00000e+00 0.00000e+00 2.09627e+02 83.024  6.18410e+01 263.024 0.9648 
1 1 1 11 10 19 o 5  1.75019e+02 3.89672e+00 2.21562e+02 33.402  9.18848e+00  6.05924e+00  0.00000e+00 0.00000e+00 2.01858e+02 33.402  1.97037e+01 213.402 0.9534 
1 1 1 11 10 21 o 15 1.57836e+02 4.25974e+00 1.22276e+02 39.034  4.82197e+00  3.90949e+00  0.00000e+00 0.00000e+00 2.43108e+02 39.034  1.20832e+02 39.034  0.9155 
1 1 1 11 10 22 o 17 4.03448e+02 3.67414e+00 4.15360e+02 216.996 -4.23267e+01 -3.18912e+01 0.00000e+00 0.00000e+00 5.93300e+02 216.996 1.77940e+02 216.996 0.9905 
1 1 1 11 10 23 f 0  2.32853e+02 3.81681e+00 2.75423e+02 309.351 1.48863e+01  -1.81545e+01 0.00000e+00 0.00000e+00 2.98533e+02 309.351 2.31096e+01 309.351 0.9785 
1 1 1 11 10 24 o 9  4.83146e+02 4.54787e+00 4.23778e+02 321.279 5.48542e+01  -4.39802e+01 0.00000e+00 0.00000e+00 7.82196e+02 321.279 3.58418e+02 321.279 0.9929 
1 1 1 11 10 25 o 6  3.18652e+02 4.09115e+00 3.39833e+02 150.445 -3.17426e+01 1.79992e+01  0.00000e+00 0.00000e+00 4.48545e+02 150.445 1.08712e+02 150.445 0.9862 
1 1 1 11 10 27 o 13 2.93378e+02 4.00876e+00 4.27013e+02 264.550 -4.91296e+00 -5.14924e+01 0.00000e+00 0.00000e+00 2.98579e+02 264.550 1.28435e+02 84.550  0.9903 
1 1 1 11 10 28 o 18 7.31922e+01 9.73259e+00 9.48131e+01 325.878 2.57537e+00  -1.74511e+00 0.00000e+00 0.00000e+00 5.43355e+01 325.878 4.04776e+01 145.878 0.8179 
1 1 1 11 10 29 o 4  3.33885e+02 3.81910e+00 4.19733e+02 120.272 -3.25542e+01 5.57732e+01  0.00000e+00 0.00000e+00 4.03672e+02 120.272 1.60608e+01 300.272 0.9922 
1 1 1 11 10 30 o 12 2.92164e+02 3.77700e+00 3.59585e+02 268.336 -1.40095e+00 -4.82342e+01 0.00000e+00 0.00000e+00 3.57185e+02 268.336 2.40083e+00 88.336  0.9896 
1 1 1 11 10 31 o 7  3.35393e+02 3.89458e+00 3.58879e+02 51.660  3.35132e+01  4.23740e+01  0.00000e+00 0.00000e+00 4.62710e+02 51.660  1.03830e+02 51.660  0.9907 
1 1 1 11 10 32 o 12 2.56484e+02 4.51195e+00 2.32096e+02 255.814 -7.23923e+00 -2.86393e+01 0.00000e+00 0.00000e+00 3.89571e+02 255.814 1.57474e+02 255.814 0.9829 
1 1 1 11 10 33 o 11 1.37002e+02 5.69470e+00 2.30874e+02 319.305 1.34176e+01  -1.15389e+01 0.00000e+00 0.00000e+00 9.63528e+01 319.305 1.34521e+02 139.305 0.9713 
1 1 1 11 10 34 o 13 1.28335e+02 6.01319e+00 1.41353e+02 61.272  4.46486e+00  8.14574e+00  0.00000e+00 0.00000e+00 1.55861e+02 61.272  1.45079e+01 61.272  0.9445 
1 1 1 11 10 35 o 6  6.62484e+01 1.03921e+01 8.67720e+01 310.251 2.37990e+00  -2.81116e+00 0.00000e+00 0.00000e+00 5.09091e+01 310.251 3.58630e+01 130.251 0.8501 
1 1 1 11 10 36 o 15 1.95573e+02 4.30934e+00 2.58376e+02 34.290  2.95942e+01  2.01803e+01  0.00000e+00 0.00000e+00 2.11563e+02 34.290  4.68129e+01 214.290 0.9859 
1 1 1 11 10 37 o 14 8.55045e+01 7.06573e+00 1.21813e+02 108.370 -2.32250e+00 6.99378e+00  0.00000e+00 0.00000e+00 7.12614e+01 108.370 5.05513e+01 288.370 0.9294 
1 1 1 11 10 38 o 11 4.11468e+01 1.03840e+01 5.46164e+01 228.964 -1.06956e+00 -1.22885e+00 0.00000e+00 0.00000e+00 7.80656e+00 228.964 4.68098e+01 48.964  0.6265 
1 1 1 11 10 39 o 5  6.03704e+01 9.84251e+00 3.60301e+01 294.047 6.20111e-01  -1.38974e+00 0.00000e+00 0.00000e+00 5.16118e+01 294.047 1.55817e+01 294.047 0.6015 
1 1 1 11 10 40 o 16 1.75006e+02 4.33698e+00 1.70601e+02 204.970 -2.53957e+01 -1.18261e+01 0.00000e+00 0.00000e+00 2.42775e+02 204.970 7.21733e+01 204.970 0.9820 
1 1 1 11 10 41 o 15 8.49403e+01 7.21486e+00 6.69058e+01 299.563 2.23930e+00  -3.94787e+00 0.00000e+00 0.00000e+00 1.12561e+02 299.563 4.56553e+01 299.563 0.8815 
1 1 1 11 10 42 o 17 9.68616e+01 6.53856e+00 1.03158e+02 309.834 6.34780e+00  -7.60968e+00 0.00000e+00 0.00000e+00 1.16187e+02 309.834 1.30291e+01 309.834 0.9481 
1 1 1 11 10 43 o 4  2.20989e+02 4.33168e+00 2.21595e+02 255.649 -1.22482e+01 -4.78739e+01 0.00000e+00 0.00000e+00 2.98943e+02 255.649 7.73476e+01 255.649 0.9898 
1 1 1 11 10 44 o 4  2.74431e+02 4.32010e+00 3.33770e+02 94.395  -8.29869e+00 1.07983e+02  0.00000e+00 0.00000e+00 3.13835e+02 94.395  1.99341e+01 274.395 0.9954 
1 1 1 11 10 45 o 11 4.34821e+01 1.27556e+01 7.81898e+01 132.083 -2.34903e+00 2.60125e+00  0.00000e+00 0.00000e+00 8.21076e+00 132.083 6.99791e+01 312.083 0.8414 
1 1 1 11 10 46 o 8  9.22691e+01 7.19941e+00 1.18744e+02 91.104  -2.85619e-01 1.48168e+01  0.00000e+00 0.00000e+00 9.08581e+01 91.104  2.78855e+01 271.104 0.9656 
1 1 1 11 10 47 o 18 9.25707e+01 1.01441e+01 1.37055e+02 97.469  -2.08211e+00 1.58809e+01  0.00000e+00 0.00000e+00 7.29565e+01 97.469  6.40986e+01 277.469 0.9683 
1 1 1 11 10 48 o 1  3.70790e+01 1.02514e+01 5.29959e+01 16.020  2.24973e+00  6.45945e-01  0.00000e+00 0.00000e+00 1.15917e+01 16.020  4.14042e+01 196.020 0.7465 
1 1 1 11 10 49 o 12 5.04273e+01 1.02445e+01 3.05051e+01 141.188 -1.55748e+00 1.25279e+00  0.00000e+00 0.00000e+00 5.12356e+01 141.188 2.07305e+01 141.188 0.6976 
1 1 1 11 10 50 o 9  5.61784e+01 9.79232e+00 8.72306e+01 120.392 -3.61091e+00 6.15664e+00  0.00000e+00 0.00000e+00 3.32707e+01 120.392 5.39599e+01 300.392 0.9270 
1 1 1 11 10 51 o 15 3.74386e+01 9.97777e+00 4.58819e+01 102.622 -5.32867e-01 2.37953e+00  0.00000e+00 0.00000e+00 1.95063e+01 102.622 2.63756e+01 282.622 0.7581 
1 1 1 11 10 52 o 12 7.70135e+01 7.30492e+00 8.47784e+01 355.679 1.13444e+01  -8.57105e-01 0.00000e+00 0.00000e+00 8.39031e+01 355.679 8.75371e-01 175.679 0.9550 
1 1 1 11 10 53 o 7  4.82686e+01 9.54722e+00 4.92015e+01 279.832 6.49140e-01  -3.74556e+00 0.00000e+00 0.00000e+00 4.50706e+01 279.832 4.13095e+00 99.832  0.8554 
1 1 1 11 10 54 f 0  7.62623e+01 7.88003e+00 8.00610e+01 121.463 -5.81173e+00 9.49763e+00  0.00000e+00 0.00000e+00 8.52803e+01 121.463 5.21926e+00 121.463 0.9540 
1 1 1 11 10 55 o 16 5.59790e+01 1.05877e+01 6.30457e+01 1.542   6.51838e+00  1.75455e-01  0.00000e+00 0.00000e+00 5.34175e+01 1.542   9.62818e+00 181.542 0.9198 
1 1 1 11 10 56 o 12 5.23536e+01 1.07043e+01 4.41952e+01 183.630 -4.49405e+00 -2.85132e-01 0.00000e+00 0.00000e+00 5.95690e+01 183.630 1.53738e+01 183.630 0.8804 
1 1 1 11 10 57 o 13 4.68276e+01 1.08298e+01 1.87330e+01 19.137  1.71719e+00  5.95881e-01  0.00000e+00 0.00000e+00 5.10744e+01 19.137  3.23414e+01 19.137  0.6654 
1 1 1 11 10 58 o 12 3.66275e+01 1.05166e+01 4.53388e+01 334.832 3.19866e+00  -1.50296e+00 0.00000e+00 0.00000e+00 2.34799e+01 334.832 2.18589e+01 154.832 0.8429 
1 1 1 11 11 0  o 17 8.27334e+02 1.29070e+01 1.02710e+03 180.000 -4.63041e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.11154e+03 180.000 8.44389e+01 180.000 1.0000 
1 1 1 11 11 1  o 5  5.79193e+02 6.02982e+00 6.47335e+02 90.000  -3.59415e-06 4.11123e+01  0.00000e+00 0.00000e+00 8.49805e+02 90.000  2.02469e+02 90.000  1.0000 
1 1 1 11 11 2  o 5  8.41795e+01 1.11766e+01 2.20327e+01 180.000 -2.00557e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.10257e+01 180.000 1.00700e+00 0.000   0.1979 
1 1 1 11 11 3  o 10 2.32929e+02 5.26340e+00 2.55280e+02 270.000 0.00000e+00  -6.50226e+00 0.00000e+00 0.00000e+00 3.46601e+02 270.000 9.13203e+01 270.000 1.0000 
1 1 1 11 11 4  o 6  3.12008e+01 1.79850e+01 2.25030e+02 0.000   7.34532e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.74589e+02 180.000 3.99619e+02 180.000 0.6258 
1 1 1 11 11 5  f 0  3.82514e+01 1.89113e+01 1.88997e+02 90.000  -7.25313e-08 8.29661e-01  0.00000e+00 0.00000e+00 1.21803e+02 270.000 3.10800e+02 270.000 0.6803 
1 1 1 11 11 6  o 2  2.42064e+02 5.59853e+00 2.23120e+02 180.000 -6.47856e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.01637e+02 180.000 1.78517e+02 180.000 1.0000 
1 1 1 11 11 8  o 15 2.72571e+02 5.83183e+00 2.83238e+02 0.000   9.13341e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.19410e+02 0.000   1.36172e+02 0.000   1.0000 
1 1 1 11 11 9  o 3  5.79962e+02 6.05212e+00 8.86028e+02 90.000  3.69108e-15  6.02800e+01  0.00000e+00 0.00000e+00 6.07935e+02 90.000  2.78093e+02 270.000 1.0000 
1 1 1 11 11 10 o 9  2.04676e+02 6.02457e+00 2.26386e+02 0.000   5.77020e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.00412e+02 0.000   7.40263e+01 0.000   1.0000 
1 1 1 11 11 11 o 15 2.36632e+02 5.78220e+00 5.68062e+01 270.000 1.44892e-07  -1.65738e+00 0.00000e+00 0.00000e+00 5.09019e+02 270.000 4.52213e+02 270.000 0.9299 
1 1 1 11 11 12 o 9  4.89326e+02 5.49896e+00 6.12049e+02 0.000   3.65299e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.45018e+02 0.000   3.29693e+01 0.000   1.0000 
1 1 1 11 11 13 o 14 1.13973e+02 7.90596e+00 1.50624e+02 270.000 -1.44262e-16 -2.35598e+00 0.00000e+00 0.00000e+00 1.36643e+02 270.000 1.39809e+01 90.000  0.9822 
1 1 1 11 11 14 o 4  1.63525e+02 6.04477e+00 2.10212e+02 0.000   4.67933e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.08866e+02 0.000   1.34570e+00 180.000 0.9998 
1 1 1 11 11 15 o 4  2.89600e+02 4.95997e+00 2.87223e+02 270.000 0.00000e+00  -1.19087e+01 0.00000e+00 0.00000e+00 4.54157e+02 270.000 1.66934e+02 270.000 1.0000 
1 1 1 11 11 17 o 17 1.24879e+02 9.68091e+00 1.74001e+02 90.000  0.00000e+00  3.50477e+00  0.00000e+00 0.00000e+00 1.44236e+02 90.000  2.97653e+01 270.000 0.9982 
1 1 1 11 11 18 o 11 1.84861e+02 6.16502e+00 1.78853e+02 180.000 -5.31246e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.92353e+02 180.000 1.13500e+02 180.000 1.0000 
1 1 1 11 11 19 o 4  1.23168e+02 8.06218e+00 1.65845e+02 90.000  -3.31072e-07 3.78703e+00  0.00000e+00 0.00000e+00 1.47299e+02 90.000  1.85461e+01 270.000 0.9990 
1 1 1 11 11 20 o 1  2.85796e+01 1.72237e+01 9.14170e+01 180.000 -4.52284e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.06451e+01 0.000   1.52062e+02 0.000   0.4238 
1 1 1 11 11 21 o 7  1.26938e+02 7.14320e+00 3.58856e+01 270.000 -4.81421e-17 -7.86221e-01 0.00000e+00 0.00000e+00 1.75398e+02 270.000 1.39512e+02 270.000 0.6563 
1 1 1 11 11 22 o 5  3.01246e+02 5.00800e+00 4.82548e+02 180.000 -2.47810e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.80078e+02 180.000 2.02470e+02 0.000   1.0000 
1 1 1 11 11 24 o 16 1.94642e+01 1.33397e+01 1.96877e+02 180.000 -7.72908e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.65043e+02 0.000   3.61921e+02 0.000   0.6486 
1 1 1 11 11 25 o 17 7.83496e+01 1.06081e+01 1.52489e+02 90.000  -2.43011e-07 2.77972e+00  0.00000e+00 0.00000e+00 4.31429e+01 90.000  1.09347e+02 270.000 0.9923 
1 1 1 11 11 26 o 10 2.82740e+02 5.43426e+00 2.41013e+02 180.000 -1.59547e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.68860e+02 180.000 2.27847e+02 180.000 1.0000 
1 1 1 11 11 27 o 5  1.67024e+02 6.72303e+00 2.08246e+02 90.000  -6.96621e-07 7.96841e+00  0.00000e+00 0.00000e+00 2.10141e+02 90.000  1.89510e+00 90.000  1.0000 
1 1 1 11 11 28 o 3  4.14078e+01 2.06510e+01 1.15479e+02 0.000   9.86035e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.72839e+01 180.000 1.52763e+02 180.000 0.7557 
1 1 1 11 11 29 o 2  1.88512e+02 7.10875e+00 2.62157e+02 270.000 1.09476e-06  -1.25225e+01 0.00000e+00 0.00000e+00 2.07783e+02 270.000 5.43741e+01 90.000  1.0000 
1 1 1 11 11 30 o 12 2.06351e+02 6.25601e+00 1.46263e+02 180.000 -8.74056e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.66839e+02 180.000 2.20575e+02 180.000 1.0000 
1 1 1 11 11 31 o 12 2.10736e+02 6.11486e+00 3.04435e+02 270.000 0.00000e+00  -1.82135e+01 0.00000e+00 0.00000e+00 2.18193e+02 270.000 8.62422e+01 90.000  1.0000 
1 1 1 11 11 32 o 11 3.32465e+01 1.84397e+01 2.44024e+01 0.000   1.92614e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.75712e+00 180.000 3.31595e+01 180.000 0.1903 
1 1 1 11 11 33 o 4  2.87975e+01 1.74428e+01 1.70516e+01 90.000  9.36887e-18  1.53005e-01  0.00000e+00 0.00000e+00 6.26845e+00 270.000 2.33201e+01 270.000 0.1518 
1 1 1 11 11 34 o 8  3.88030e+02 5.97232e+00 4.27964e+02 0.000   5.94386e+01  0.00000e+00  0.00000e+00 0.00000e+00 5.26295e+02 0.000   9.83312e+01 0.000   1.0000 
1 1 1 11 11 35 o 3  1.63193e+02 6.68376e+00 1.87929e+02 90.000  6.69775e-16  1.09383e+01  0.00000e+00 0.00000e+00 2.12209e+02 90.000  2.42802e+01 90.000  1.0000 
1 1 1 11 11 36 o 12 3.15389e+01 1.78685e+01 3.52738e+01 0.000   3.55872e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.94032e+00 180.000 4.42141e+01 180.000 0.3416 
1 1 1 11 11 37 o 17 2.30709e+01 1.50729e+01 1.54997e+00 90.000  -1.09025e-09 1.24710e-02  0.00000e+00 0.00000e+00 8.48911e-01 270.000 2.39888e+00 270.000 0.0125 
1 1 1 11 11 38 o 7  3.72310e+01 1.92615e+01 7.78239e+01 180.000 -1.15540e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.71378e+00 0.000   8.15377e+01 0.000   0.8195 
1 1 1 11 11 39 o 19 1.05757e+02 9.09693e+00 1.54550e+02 270.000 5.84798e-07  -6.68931e+00 0.00000e+00 0.00000e+00 1.01469e+02 270.000 5.30807e+01 90.000  1.0000 
1 1 1 11 11 40 o 18 1.86519e+01 1.30123e+01 4.55391e+01 180.000 -4.06783e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.81812e+01 0.000   7.37203e+01 0.000   0.3857 
1 1 1 11 11 41 o 17 3.39418e+02 5.96052e+00 3.40987e+02 270.000 5.39046e-06  -6.16597e+01 0.00000e+00 0.00000e+00 4.75031e+02 270.000 1.34045e+02 270.000 1.0000 
1 1 1 11 11 42 o 10 2.07284e+02 6.24681e+00 1.85654e+02 180.000 -1.92788e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.10910e+02 180.000 1.25257e+02 180.000 1.0000 
1 1 1 11 11 43 o 19 1.18719e+02 7.67288e+00 1.66320e+02 270.000 1.08112e-06  -1.23666e+01 0.00000e+00 0.00000e+00 1.17040e+02 270.000 4.92796e+01 90.000  1.0000 
1 1 1 11 11 45 o 9  2.03762e+01 1.37937e+01 1.68782e+01 270.000 1.89462e-08  -2.16719e-01 0.00000e+00 0.00000e+00 6.57868e+00 90.000  2.34569e+01 90.000  0.2134 
1 1 1 11 11 46 o 14 1.53881e+02 6.99527e+00 1.70279e+02 0.000   1.79386e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.92799e+02 0.000   2.25202e+01 0.000   1.0000 
1 1 1 11 11 47 o 19 8.28516e+01 1.07725e+01 1.00769e+02 90.000  3.47877e-16  5.68127e+00  0.00000e+00 0.00000e+00 9.39300e+01 90.000  6.83926e+00 270.000 1.0000 
1 1 1 11 11 48 o 17 1.57740e+02 6.89725e+00 2.39844e+02 0.000   2.79599e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.29334e+02 0.000   1.10510e+02 180.000 1.0000 
1 1 1 11 11 49 o 7  5.39624e+01 1.76155e+01 3.52929e+01 90.000  7.79836e-17  1.27357e+00  0.00000e+00 0.00000e+00 7.22084e+01 90.000  3.69155e+01 90.000  0.8548 
1 1 1 11 11 50 o 10 2.37242e+01 1.52724e+01 2.94454e+01 180.000 -4.81589e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.80649e+00 0.000   3.42519e+01 0.000   0.4475 
1 1 1 11 11 51 f 0  7.51857e+01 1.26563e+01 4.85907e+01 270.000 -1.84336e-16 -3.01043e+00 0.00000e+00 0.00000e+00 1.24294e+02 270.000 7.57031e+01 270.000 0.9952 
1 1 1 11 11 52 o 10 2.62888e+01 1.64367e+01 3.13399e+01 180.000 -6.09786e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.55661e+00 180.000 2.97833e+01 0.000   0.5440 
1 1 1 11 11 53 o 2  1.81389e+02 7.04155e+00 1.41919e+02 90.000  1.71595e-15  2.80236e+01  0.00000e+00 0.00000e+00 2.73459e+02 90.000  1.31540e+02 90.000  1.0000 
1 1 1 11 11 54 o 13 6.99747e+01 1.43562e+01 7.68873e+01 0.000   5.44967e+00  0.00000e+00  0.00000e+00 0.00000e+00 8.26099e+01 0.000   5.72260e+00 0.000   1.0000 
1 1 1 11 11 55 o 16 1.58007e+01 1.14304e+01 5.73413e+00 270.000 8.64965e-09  -9.89405e-02 0.00000e+00 0.00000e+00 2.19885e+00 90.000  7.93298e+00 90.000  0.0986 
1 1 1 11 11 56 o 9  1.97319e+01 1.35313e+01 2.17526e+01 0.000   4.93719e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.38469e+00 180.000 2.31373e+01 180.000 0.4572 
1 1 1 11 11 57 o 15 8.80005e+01 1.09959e+01 4.97807e+01 270.000 5.24211e-07  -5.99627e+00 0.00000e+00 0.00000e+00 1.47948e+02 270.000 9.81673e+01 270.000 1.0000 
1 1 1 12 0  0  o 16 8.04122e+02 1.21188e+01 1.05408e+03 0.000   3.73547e+01  0.00000e+00  0.00000e+00 0.00000e+00 9.95803e+02 0.000   5.82750e+01 180.000 1.0000 
1 1 1 12 0  1  o 19 4.61469e+01 1.76813e+01 1.27965e+02 225.000 -3.58175e-01 -3.58175e-01 0.00000e+00 0.00000e+00 7.30019e+01 45.000  2.00967e+02 45.000  0.4672 
1 1 1 12 0  2  o 5  1.45727e+02 6.94329e+00 1.51820e+02 270.000 1.70499e-07  -1.95028e+00 0.00000e+00 0.00000e+00 2.04875e+02 270.000 5.30547e+01 270.000 0.9603 
1 1 1 12 0  3  o 5  1.85496e+02 6.15932e+00 3.68924e+02 315.000 4.25604e+00  -4.25604e+00 0.00000e+00 0.00000e+00 1.03757e+02 315.000 2.65168e+02 135.000 1.0000 
1 1 1 12 0  4  o 6  1.53618e+01 1.11214e+01 1.46944e+02 0.000   1.95728e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.39381e+02 180.000 2.86326e+02 180.000 0.1933 
1 1 1 12 0  5  o 6  6.58452e+02 8.02197e+00 7.71653e+02 225.000 -3.11697e+01 -3.11697e+01 0.00000e+00 0.00000e+00 9.05076e+02 225.000 1.33423e+02 225.000 1.0000 
1 1 1 12 0  6  o 15 2.47362e+01 1.57013e+01 9.27206e+01 90.000  1.18589e-17  1.93671e-01  0.00000e+00 0.00000e+00 8.06773e+01 270.000 1.73398e+02 270.000 0.1913 
1 1 1 12 0  7  o 19 4.92953e+01 1.69450e+01 7.28531e+01 135.000 -2.11743e-01 2.11743e-01  0.00000e+00 0.00000e+00 3.63860e+01 315.000 1.09239e+02 315.000 0.2908 
1 1 1 12 0  8  o 19 6.39411e+02 6.65080e+00 7.11546e+02 180.000 -3.31534e+01 0.00000e+00  0.00000e+00 0.00000e+00 9.13957e+02 180.000 2.02411e+02 180.000 1.0000 
1 1 1 12 0  9  o 7  5.62920e+02 6.63102e+00 9.05930e+02 45.000  2.59908e+01  2.59908e+01  0.00000e+00 0.00000e+00 5.24070e+02 45.000  3.81860e+02 225.000 1.0000 
1 1 1 12 0  10 o 18 2.81419e+02 5.30650e+00 3.52658e+02 270.000 -4.33384e-16 -7.07770e+00 0.00000e+00 0.00000e+00 3.61653e+02 270.000 8.99483e+00 270.000 1.0000 
1 1 1 12 0  11 o 15 5.91494e+02 6.31174e+00 9.95430e+02 315.000 2.92751e+01  -2.92751e+01 0.00000e+00 0.00000e+00 5.04567e+02 315.000 4.90863e+02 135.000 1.0000 
1 1 1 12 0  12 o 6  1.35403e+02 7.00817e+00 1.84121e+02 180.000 -2.11309e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.49037e+02 180.000 3.50842e+01 0.000   0.9712 
1 1 1 12 0  13 o 4  5.96883e+02 6.36678e+00 1.00271e+03 225.000 -3.53758e+01 -3.53758e+01 0.00000e+00 0.00000e+00 5.07826e+02 225.000 4.94881e+02 45.000  1.0000 
1 1 1 12 0  14 o 2  3.45062e+02 5.68758e+00 5.80968e+02 90.000  8.59427e-16  1.40355e+01  0.00000e+00 0.00000e+00 2.91263e+02 90.000  2.89705e+02 270.000 1.0000 
1 1 1 12 0  15 o 14 8.09763e+02 8.66311e+00 8.92242e+02 135.000 -3.50010e+01 3.50010e+01  0.00000e+00 0.00000e+00 1.15208e+03 135.000 2.59838e+02 135.000 1.0000 
1 1 1 12 0  16 o 11 5.82481e+02 7.36112e+00 5.51651e+02 0.000   2.16438e+01  0.00000e+00  0.00000e+00 0.00000e+00 9.16911e+02 0.000   3.65260e+02 0.000   1.0000 
1 1 1 12 0  17 o 17 6.63820e+02 7.42560e+00 7.67054e+02 225.000 -3.14893e+01 -3.14893e+01 0.00000e+00 0.00000e+00 9.04203e+02 225.000 1.37148e+02 225.000 1.0000 
1 1 1 12 0  18 o 18 1.10683e+02 7.98902e+00 2.35777e+02 90.000  -1.95071e-07 2.23135e+00  0.00000e+00 0.00000e+00 3.61191e+01 90.000  1.99658e+02 270.000 0.9772 
1 1 1 12 0  19 o 13 5.61283e+02 6.15019e+00 8.97249e+02 135.000 -2.87223e+01 2.87223e+01  0.00000e+00 0.00000e+00 5.11476e+02 135.000 3.85773e+02 315.000 1.0000 
1 1 1 12 0  20 o 8  3.83149e+02 5.52980e+00 3.65340e+02 180.000 -1.37087e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.94682e+02 180.000 2.29342e+02 180.000 1.0000 
1 1 1 12 0  21 o 5  1.00102e+02 8.48466e+00 1.13876e+02 45.000  7.66812e-01  7.66812e-01  0.00000e+00 0.00000e+00 8.51311e+01 45.000  2.87445e+01 225.000 0.7948 
1 1 1 12 0  22 o 8  3.51137e+01 1.74889e+01 9.74750e+01 90.000  -3.06685e-08 3.50807e-01  0.00000e+00 0.00000e+00 6.79245e+01 270.000 1.65400e+02 270.000 0.3371 
1 1 1 12 0  23 o 16 5.21318e+02 5.93080e+00 5.20864e+02 315.000 1.99272e+01  -1.99272e+01 0.00000e+00 0.00000e+00 7.78106e+02 315.000 2.57243e+02 315.000 1.0000 
1 1 1 12 0  24 o 18 1.82418e+02 5.62155e+00 3.81399e+02 0.000   7.09947e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.22116e+01 0.000   3.09187e+02 180.000 1.0000 
1 1 1 12 0  25 o 7  4.41458e+02 5.44268e+00 4.27980e+02 45.000  1.42234e+01  1.42234e+01  0.00000e+00 0.00000e+00 6.67456e+02 45.000  2.39476e+02 45.000  1.0000 
1 1 1 12 0  26 o 12 2.52376e+02 5.41777e+00 3.39116e+02 270.000 -6.05029e-16 -9.88088e+00 0.00000e+00 0.00000e+00 2.85756e+02 270.000 5.33594e+01 90.000  1.0000 
1 1 1 12 0  27 o 19 9.28823e+01 9.61787e+00 2.15020e+02 315.000 1.57574e+00  -1.57574e+00 0.00000e+00 0.00000e+00 9.16581e+00 315.000 2.05854e+02 135.000 0.9771 
1 1 1 12 0  28 o 14 3.88346e+02 5.67484e+00 5.46337e+02 180.000 -2.48943e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.10720e+02 180.000 1.35617e+02 0.000   1.0000 
1 1 1 12 0  29 o 9  5.23635e+01 1.84471e+01 1.29967e+02 45.000  5.99604e-01  5.99604e-01  0.00000e+00 0.00000e+00 4.11423e+01 225.000 1.71109e+02 225.000 0.6900 
1 1 1 12 0  31 o 9  4.17627e+02 5.82774e+00 5.08076e+02 135.000 -2.32439e+01 2.32439e+01  0.00000e+00 0.00000e+00 5.13314e+02 135.000 5.23817e+00 135.000 1.0000 
1 1 1 12 0  32 o 12 8.07522e+01 1.18344e+01 1.43514e+02 0.000   2.01585e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.65779e+01 0.000   9.69360e+01 180.000 0.9651 
1 1 1 12 0  33 o 7  2.69827e+02 5.56418e+00 2.29686e+02 45.000  7.28379e+00  7.28379e+00  0.00000e+00 0.00000e+00 4.26597e+02 45.000  1.96911e+02 45.000  1.0000 
1 1 1 12 0  35 o 15 2.59902e+02 6.46413e+00 2.46350e+02 135.000 -9.06909e+00 9.06909e+00  0.00000e+00 0.00000e+00 3.82095e+02 135.000 1.35745e+02 135.000 1.0000 
1 1 1 12 0  36 o 19 3.73254e+01 1.86643e+01 4.90975e+01 0.000   3.82313e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.62816e+01 180.000 6.53792e+01 180.000 0.3647 
1 1 1 12 0  37 o 14 1.48310e+02 6.83198e+00 2.60362e+02 225.000 -6.01646e+00 -6.01646e+00 0.00000e+00 0.00000e+00 9.60313e+01 225.000 1.64331e+02 45.000  1.0000 
1 1 1 12 0  38 o 11 2.51324e+01 1.56250e+01 1.66575e+01 270.000 -5.32179e-18 -8.69114e-02 0.00000e+00 0.00000e+00 1.14386e+01 90.000  2.80961e+01 90.000  0.0867 
1 1 1 12 0  39 o 7  2.09924e+01 1.39802e+01 9.15275e+01 315.000 3.13680e-01  -3.13680e-01 0.00000e+00 0.00000e+00 7.06476e+01 135.000 1.62175e+02 135.000 0.4166 
1 1 1 12 0  40 o 11 2.23597e+02 5.10966e+00 1.51066e+02 180.000 -9.26204e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.80916e+02 180.000 2.29850e+02 180.000 1.0000 
1 1 1 12 0  41 o 2  2.11290e+02 5.21826e+00 2.09673e+02 225.000 -1.06687e+01 -1.06687e+01 0.00000e+00 0.00000e+00 2.91276e+02 225.000 8.16039e+01 225.000 1.0000 
1 1 1 12 0  42 o 14 3.66695e+01 1.75082e+01 1.39647e+01 270.000 1.40140e-08  -1.60301e-01 0.00000e+00 0.00000e+00 1.95689e-01 90.000  1.41604e+01 90.000  0.1589 
1 1 1 12 0  43 o 10 1.85913e+02 5.24928e+00 1.51513e+02 315.000 6.91787e+00  -6.91787e+00 0.00000e+00 0.00000e+00 2.86088e+02 315.000 1.34576e+02 315.000 1.0000 
1 1 1 12 0  44 o 8  6.87780e+01 1.53873e+01 7.04706e+01 180.000 -1.55096e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.69324e+01 180.000 6.46171e+00 180.000 0.9139 
1 1 1 12 0  45 o 3  4.64553e+01 2.19139e+01 6.53374e+01 225.000 -6.56269e-01 -6.56269e-01 0.00000e+00 0.00000e+00 1.38499e+01 225.000 5.14875e+01 45.000  0.7297 
1 1 1 12 0  46 o 11 5.52051e+01 1.85482e+01 1.24349e+02 90.000  1.64104e-16  2.68002e+00  0.00000e+00 0.00000e+00 2.90181e+00 90.000  1.21447e+02 270.000 0.9906 
1 1 1 12 0  47 o 19 1.71372e+01 1.18854e+01 4.33773e+01 135.000 -1.99300e-01 1.99300e-01  0.00000e+00 0.00000e+00 3.24707e+01 315.000 7.58480e+01 315.000 0.2746 
1 1 1 12 0  48 o 19 8.10329e+01 8.97740e+00 4.32046e+01 180.000 -1.75654e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.32996e+02 180.000 8.97916e+01 180.000 0.9421 
1 1 1 12 0  49 o 17 1.78035e+02 5.15154e+00 1.54546e+02 225.000 -9.45392e+00 -9.45392e+00 0.00000e+00 0.00000e+00 2.54650e+02 225.000 1.00104e+02 225.000 1.0000 
1 1 1 12 0  50 o 12 1.42537e+02 5.84185e+00 2.09730e+02 270.000 -1.12110e-15 -1.83089e+01 0.00000e+00 0.00000e+00 1.16483e+02 270.000 9.32471e+01 90.000  1.0000 
1 1 1 12 0  51 o 11 1.31283e+02 7.73325e+00 1.09226e+02 315.000 4.73858e+00  -4.73858e+00 0.00000e+00 0.00000e+00 1.89922e+02 315.000 8.06967e+01 315.000 1.0000 
1 1 1 12 0  52 o 7  1.92237e+01 1.26134e+01 8.67111e+01 0.000   1.06583e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.23513e+01 180.000 1.39062e+02 180.000 0.7879 
1 1 1 12 0  53 o 15 2.15475e+02 7.03205e+00 1.63040e+02 45.000  1.61667e+01  1.61667e+01  0.00000e+00 0.00000e+00 3.23569e+02 45.000  1.60528e+02 45.000  1.0000 
1 1 1 12 0  54 o 12 8.75874e+01 7.23853e+00 1.41554e+02 90.000  0.00000e+00  8.85572e+00  0.00000e+00 0.00000e+00 5.53344e+01 90.000  8.62194e+01 270.000 1.0000 
1 1 1 12 0  55 o 8  1.70991e+01 1.13569e+01 1.16869e+01 135.000 -1.07050e-01 1.07050e-01  0.00000e+00 0.00000e+00 5.93895e+00 315.000 1.76259e+01 315.000 0.1502 
1 1 1 12 0  56 o 6  2.57748e+01 1.41488e+01 4.05552e+01 0.000   7.20843e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.11955e+00 180.000 4.56748e+01 180.000 0.6174 
1 1 1 12 0  57 o 2  2.98539e+01 1.86198e+01 2.52523e+01 45.000  3.65862e-01  3.65862e-01  0.00000e+00 0.00000e+00 6.21567e+00 45.000  1.90367e+01 225.000 0.4757 
1 1 1 12 0  58 o 11 3.21034e+01 1.92966e+01 4.04244e+01 270.000 8.19492e-08  -9.37390e-01 0.00000e+00 0.00000e+00 1.15326e+01 270.000 2.88918e+01 90.000  0.7340 
1 1 1 12 0  59 o 13 1.27186e+02 1.43433e+01 1.86017e+02 135.000 -1.48082e+01 1.48082e+01  0.00000e+00 0.00000e+00 9.30011e+01 135.000 9.30154e+01 315.000 1.0000 
1 1 1 12 0  60 o 12 2.21935e+01 1.54125e+01 8.09651e+01 180.000 -1.71057e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.55921e+01 0.000   1.16557e+02 0.000   0.9367 
1 1 1 12 0  61 o 18 3.02937e+01 1.90322e+01 6.35619e+01 225.000 -1.22276e+00 -1.22276e+00 0.00000e+00 0.00000e+00 1.80302e+00 45.000  6.53649e+01 45.000  0.9390 
1 1 1 12 0  62 o 19 3.77367e+01 2.12191e+01 8.05269e+01 90.000  -2.21697e-07 2.53592e+00  0.00000e+00 0.00000e+00 4.29201e-02 270.000 8.05698e+01 270.000 0.9875 
1 1 1 12 1  0  o 12 1.99422e+02 5.35865e+00 2.75271e+02 0.000   4.84314e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.33108e+02 0.000   4.21630e+01 180.000 0.9999 
1 1 1 12 1  1  o 8  7.21964e+01 7.72427e+00 1.16041e+02 289.539 4.89084e-01  -1.37815e+00 0.00000e+00 0.00000e+00 8.05331e+00 109.539 1.24094e+02 109.539 0.5867 
1 1 1 12 1  2  o 3  2.58247e+02 3.97659e+00 3.44054e+02 180.803 -1.56286e+01 -2.18970e-01 0.00000e+00 0.00000e+00 2.92835e+02 180.803 5.12196e+01 0.803   0.9675 
1 1 1 12 1  3  o 16 2.28792e+02 4.04270e+00 2.19517e+02 323.528 7.07982e+00  -5.23353e+00 0.00000e+00 0.00000e+00 3.29394e+02 323.528 1.09877e+02 323.528 0.9414 
1 1 1 12 1  4  o 6  2.13784e+02 4.29422e+00 3.06010e+02 50.365  7.27766e+00  8.78630e+00  0.00000e+00 0.00000e+00 2.14226e+02 50.365  9.17832e+01 230.365 0.9551 
1 1 1 12 1  5  o 16 2.18219e+02 4.27631e+00 2.90738e+02 332.084 9.71881e+00  -5.14930e+00 0.00000e+00 0.00000e+00 2.39129e+02 332.084 5.16091e+01 152.084 0.9534 
1 1 1 12 1  6  o 5  2.09620e+02 3.63679e+00 3.13228e+02 350.419 1.11551e+01  -1.88291e+00 0.00000e+00 0.00000e+00 1.96228e+02 350.419 1.17000e+02 170.419 0.9547 
1 1 1 12 1  7  o 19 7.68547e+01 7.33565e+00 1.68692e+02 129.858 -1.40714e+00 1.68541e+00  0.00000e+00 0.00000e+00 2.64581e+01 309.858 1.95151e+02 309.858 0.7274 
1 1 1 12 1  8  o 13 5.36248e+02 4.17894e+00 7.32417e+02 345.269 5.51932e+01  -1.45116e+01 0.00000e+00 0.00000e+00 6.19023e+02 345.269 1.13395e+02 165.269 0.9912 
1 1 1 12 1  9  o 14 4.42849e+02 3.93977e+00 5.16911e+02 270.995 5.71764e-01  -3.29079e+01 0.00000e+00 0.00000e+00 5.91004e+02 270.995 7.40926e+01 270.995 0.9847 
1 1 1 12 1  10 o 9  4.31240e+02 3.72057e+00 5.27257e+02 138.301 -2.41259e+01 2.14943e+01  0.00000e+00 0.00000e+00 5.50416e+02 138.301 2.31586e+01 138.301 0.9844 
1 1 1 12 1  11 o 3  1.55927e+02 3.99638e+00 1.80753e+02 218.293 -3.79576e+00 -2.99694e+00 0.00000e+00 0.00000e+00 1.71004e+02 218.293 9.74934e+00 38.293  0.8894 
1 1 1 12 1  12 o 15 1.12185e+02 5.27277e+00 4.34358e+01 45.394  5.77635e-01  5.85627e-01  0.00000e+00 0.00000e+00 6.45844e+01 45.394  2.11486e+01 45.394  0.3800 
1 1 1 12 1  13 o 19 6.64931e+02 4.71869e+00 7.71821e+02 92.206  -3.28974e+00 8.54059e+01  0.00000e+00 0.00000e+00 9.01284e+02 92.206  1.29464e+02 92.206  0.9941 
1 1 1 12 1  14 o 18 4.33405e+02 3.92488e+00 6.26052e+02 328.076 3.21326e+01  -2.00192e+01 0.00000e+00 0.00000e+00 4.55077e+02 328.076 1.70975e+02 148.076 0.9867 
1 1 1 12 1  15 o 15 2.11414e+02 4.03591e+00 1.68716e+02 17.745  4.65516e+00  1.48966e+00  0.00000e+00 0.00000e+00 3.06755e+02 17.745  1.38038e+02 17.745  0.8907 
1 1 1 12 1  16 o 15 1.38856e+02 4.74644e+00 2.89621e+02 62.184  3.34300e+00  6.33615e+00  0.00000e+00 0.00000e+00 3.50659e+01 62.184  2.54555e+02 242.184 0.9273 
1 1 1 12 1  17 o 9  2.87411e+02 3.76983e+00 1.59437e+02 356.623 7.99534e+00  -4.71727e-01 0.00000e+00 0.00000e+00 5.17448e+02 356.623 3.58011e+02 356.623 0.9353 
1 1 1 12 1  18 o 17 5.50695e+02 4.62794e+00 6.12745e+02 315.366 3.94574e+01  -3.89561e+01 0.00000e+00 0.00000e+00 7.59266e+02 315.366 1.46521e+02 315.366 0.9909 
1 1 1 12 1  19 o 17 4.16257e+02 3.64287e+00 6.27803e+02 193.061 -4.09658e+01 -9.50372e+00 0.00000e+00 0.00000e+00 4.04578e+02 193.061 2.23225e+02 13.061  0.9880 
1 1 1 12 1  20 o 5  1.39014e+02 4.54189e+00 1.00562e+02 3.273   2.72059e+00  1.55581e-01  0.00000e+00 0.00000e+00 1.73743e+02 3.273   7.31808e+01 3.273   0.7874 
1 1 1 12 1  21 o 19 3.97471e+02 3.70157e+00 5.19136e+02 278.908 6.09124e+00  -3.88607e+01 0.00000e+00 0.00000e+00 4.62430e+02 278.908 5.67053e+01 98.908  0.9872 
1 1 1 12 1  22 o 10 4.47081e+01 1.02722e+01 1.20959e+02 134.700 -7.87046e-01 7.95343e-01  0.00000e+00 0.00000e+00 6.66002e+01 314.700 1.87559e+02 314.700 0.4869 
1 1 1 12 1  23 o 10 1.34866e+02 4.84493e+00 2.47348e+02 211.736 -5.90909e+00 -3.65467e+00 0.00000e+00 0.00000e+00 6.35211e+01 211.736 1.83827e+02 31.736  0.9249 
1 1 1 12 1  24 o 2  3.51012e+02 3.60844e+00 4.25562e+02 259.720 -5.42720e+00 -2.99241e+01 0.00000e+00 0.00000e+00 4.32935e+02 259.720 7.37292e+00 259.720 0.9834 
1 1 1 12 1  25 o 2  3.87787e+02 3.83898e+00 4.63289e+02 184.655 -3.80187e+01 -3.09551e+00 0.00000e+00 0.00000e+00 4.86405e+02 184.655 2.31164e+01 184.655 0.9868 
1 1 1 12 1  26 o 9  7.74576e+01 7.72614e+00 3.94327e+01 305.527 4.03513e-01  -5.65132e-01 0.00000e+00 0.00000e+00 2.34475e+01 305.527 1.59852e+01 125.527 0.3278 
1 1 1 12 1  27 o 17 3.33154e+02 3.62420e+00 4.09838e+02 40.345  2.50459e+01  2.12742e+01  0.00000e+00 0.00000e+00 4.00647e+02 40.345  9.19059e+00 220.345 0.9847 
1 1 1 12 1  28 o 11 1.39783e+02 5.06174e+00 9.53491e+01 33.873  2.58246e+00  1.73359e+00  0.00000e+00 0.00000e+00 1.86421e+02 33.873  9.10723e+01 33.873  0.8178 
1 1 1 12 1  29 o 4  4.73850e+02 4.19664e+00 5.44159e+02 144.946 -5.50323e+01 3.86109e+01  0.00000e+00 0.00000e+00 6.12218e+02 144.946 6.80586e+01 144.946 0.9925 
1 1 1 12 1  31 o 6  3.82661e+02 3.72589e+00 4.11871e+02 32.704  4.10385e+01  2.63500e+01  0.00000e+00 0.00000e+00 5.14490e+02 32.704  1.02619e+02 32.704  0.9897 
1 1 1 12 1  32 o 12 2.88121e+02 3.63424e+00 2.65477e+02 89.282  3.40758e-01  2.72009e+01  0.00000e+00 0.00000e+00 4.24326e+02 89.282  1.58849e+02 89.282  0.9814 
1 1 1 12 1  33 o 10 1.17393e+02 5.44433e+00 1.87849e+02 227.344 -4.92725e+00 -5.34782e+00 0.00000e+00 0.00000e+00 7.72851e+01 227.344 1.10564e+02 47.344  0.9284 
1 1 1 12 1  35 o 14 9.83201e+01 6.78268e+00 2.32046e+02 281.473 1.79241e+00  -8.83128e+00 0.00000e+00 0.00000e+00 7.88264e+00 101.473 2.39929e+02 101.473 0.9428 
1 1 1 12 1  36 o 2  3.42091e+02 3.86759e+00 4.24138e+02 243.500 -2.93061e+01 -5.87797e+01 0.00000e+00 0.00000e+00 3.94324e+02 243.500 2.98142e+01 63.500  0.9924 
1 1 1 12 1  37 o 12 2.96845e+02 4.33213e+00 3.70048e+02 230.988 -3.04844e+01 -3.76288e+01 0.00000e+00 0.00000e+00 3.35976e+02 230.988 3.40722e+01 50.988  0.9896 
1 1 1 12 1  38 o 5  3.13996e+02 3.76859e+00 3.39831e+02 189.126 -4.61303e+01 -7.41065e+00 0.00000e+00 0.00000e+00 4.04287e+02 189.126 6.44555e+01 189.126 0.9892 
1 1 1 12 1  39 o 10 6.41960e+01 9.37637e+00 9.15147e+01 314.650 1.91340e+00  -1.93693e+00 0.00000e+00 0.00000e+00 2.91449e+01 314.650 6.23698e+01 134.650 0.7872 
1 1 1 12 1  40 o 4  1.96703e+02 3.64115e+00 2.29657e+02 320.169 1.89881e+01  -1.58379e+01 0.00000e+00 0.00000e+00 2.28842e+02 320.169 8.15397e-01 140.169 0.9796 
1 1 1 12 1  41 o 8  7.44136e+01 7.16850e+00 1.27306e+02 77.962  1.30376e+00  6.11387e+00  0.00000e+00 0.00000e+00 3.43416e+01 77.962  9.29645e+01 257.962 0.9161 
1 1 1 12 1  42 o 13 2.59690e+02 3.34267e+00 2.20451e+02 199.013 -3.78019e+01 -1.30260e+01 0.00000e+00 0.00000e+00 3.85415e+02 199.013 1.64965e+02 199.013 0.9874 
1 1 1 12 1  43 o 13 7.78363e+01 7.40069e+00 1.38587e+02 249.483 -2.53709e+00 -6.77959e+00 0.00000e+00 0.00000e+00 3.14758e+01 249.483 1.07111e+02 69.483  0.9281 
1 1 1 12 1  44 o 9  1.69886e+02 4.20582e+00 2.65309e+02 129.379 -1.97659e+01 2.40812e+01  0.00000e+00 0.00000e+00 1.26677e+02 129.379 1.38632e+02 309.379 0.9838 
1 1 1 12 1  45 o 3  1.05210e+02 5.69896e+00 8.89337e+01 143.298 -5.37819e+00 4.00905e+00  0.00000e+00 0.00000e+00 1.37726e+02 143.298 4.87925e+01 143.298 0.9221 
1 1 1 12 1  46 o 1  2.28715e+02 3.64212e+00 2.43736e+02 3.202   5.07089e+01  2.83704e+00  0.00000e+00 0.00000e+00 2.83254e+02 3.202   3.95186e+01 3.202   0.9901 
1 1 1 12 1  47 o 5  1.24342e+02 4.78238e+00 1.44923e+02 176.042 -1.79803e+01 1.24399e+00  0.00000e+00 0.00000e+00 1.35170e+02 176.042 9.75297e+00 356.042 0.9718 
1 1 1 12 1  48 o 5  9.43805e+01 6.48472e+00 8.62784e+01 242.226 -3.79461e+00 -7.20499e+00 0.00000e+00 0.00000e+00 1.17735e+02 242.226 3.14564e+01 242.226 0.9364 
1 1 1 12 1  49 o 5  1.21108e+02 4.37454e+00 1.49541e+02 285.677 4.71844e+00  -1.68118e+01 0.00000e+00 0.00000e+00 1.20760e+02 285.677 2.87813e+01 105.677 0.9709 
1 1 1 12 1  50 o 16 1.17513e+02 4.24599e+00 1.10033e+02 94.651  -1.28082e+00 1.57441e+01  0.00000e+00 0.00000e+00 1.50288e+02 94.651  4.02552e+01 94.651  0.9678 
1 1 1 12 1  51 o 10 7.02878e+01 7.26066e+00 5.39623e+01 6.316   3.43549e+00  3.80271e-01  0.00000e+00 0.00000e+00 8.04002e+01 6.316   2.64379e+01 6.316   0.8388 
1 1 1 12 1  52 o 7  8.36288e+01 7.12251e+00 9.66793e+01 152.845 -9.58965e+00 4.91895e+00  0.00000e+00 0.00000e+00 8.40350e+01 152.845 1.26442e+01 332.845 0.9524 
1 1 1 12 1  53 o 15 7.37461e+01 6.01029e+00 5.42132e+01 37.117  4.07617e+00  3.08474e+00  0.00000e+00 0.00000e+00 9.50145e+01 37.117  4.08013e+01 37.117  0.8959 
1 1 1 12 1  54 o 5  6.24270e+01 6.87456e+00 8.32501e+01 129.149 -4.52855e+00 5.56259e+00  0.00000e+00 0.00000e+00 4.69124e+01 129.149 3.63378e+01 309.149 0.9274 
1 1 1 12 1  55 o 13 6.84960e+01 6.98952e+00 8.07226e+01 184.801 -8.56578e+00 -7.19422e-01 0.00000e+00 0.00000e+00 6.33370e+01 184.801 1.73856e+01 4.801   0.9399 
1 1 1 12 1  56 o 6  6.30691e+01 8.84866e+00 5.54400e+01 280.626 9.19052e-01  -4.89861e+00 0.00000e+00 0.00000e+00 6.99873e+01 280.626 1.45473e+01 280.626 0.8930 
1 1 1 12 1  57 o 13 8.47630e+01 7.31729e+00 8.26976e+01 78.106  2.42234e+00  1.15008e+01  0.00000e+00 0.00000e+00 9.69723e+01 78.106  1.42747e+01 78.106  0.9565 
1 1 1 12 1  58 o 3  9.60888e+01 6.99420e+00 1.18975e+02 293.364 8.37344e+00  -1.93828e+01 0.00000e+00 0.00000e+00 8.78393e+01 293.364 3.11354e+01 113.364 0.9760 
1 1 1 12 1  59 o 10 1.38246e+02 6.26437e+00 1.23263e+02 47.234  2.33478e+01  2.52432e+01  0.00000e+00 0.00000e+00 1.75618e+02 47.234  5.23555e+01 47.234  0.9853 
1 1 1 12 1  60 o 5  1.02546e+02 8.04975e+00 7.55473e+01 351.499 1.64151e+01  -2.45338e+00 0.00000e+00 0.00000e+00 1.41444e+02 351.499 6.58964e+01 351.499 0.9694 
1 1 1 12 1  61 o 1  6.00448e+01 1.18907e+01 4.74623e+01 236.744 -3.04034e+00 -4.63627e+00 0.00000e+00 0.00000e+00 7.04912e+01 236.744 2.30289e+01 236.744 0.9046 
1 1 1 12 1  62 o 19 9.84190e+01 8.26131e+00 9.51093e+01 153.576 -1.94891e+01 9.68443e+00  0.00000e+00 0.00000e+00 1.12533e+02 153.576 1.74235e+01 153.576 0.9767 
1 1 1 12 2  0  o 12 3.60899e+02 5.78338e+00 6.42834e+02 180.000 -2.02120e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.77699e+02 180.000 3.65135e+02 0.000   1.0000 
1 1 1 12 2  1  o 13 4.16619e+02 4.32536e+00 5.36592e+02 67.030  1.51846e+01  3.58245e+01  0.00000e+00 0.00000e+00 5.12274e+02 67.030  2.43185e+01 247.030 0.9871 
1 1 1 12 2  2  o 19 3.78147e+02 4.18540e+00 5.36490e+02 265.071 -3.02852e+00 -3.51186e+01 0.00000e+00 0.00000e+00 4.14092e+02 265.071 1.22398e+02 85.071  0.9857 
1 1 1 12 2  3  o 5  2.33246e+02 3.77834e+00 3.54013e+02 135.585 -1.02213e+01 1.00146e+01  0.00000e+00 0.00000e+00 2.19517e+02 135.585 1.34496e+02 315.585 0.9644 
1 1 1 12 2  4  o 17 2.40642e+02 3.73833e+00 3.02039e+02 56.363  6.94573e+00  1.04394e+01  0.00000e+00 0.00000e+00 2.86344e+02 56.363  1.56955e+01 236.363 0.9593 
1 1 1 12 2  5  o 14 2.09401e+02 3.55663e+00 2.51508e+02 46.353  6.23611e+00  6.53774e+00  0.00000e+00 0.00000e+00 2.51573e+02 46.353  6.56506e-02 46.353  0.9429 
1 1 1 12 2  6  o 19 3.31972e+02 3.43734e+00 5.15923e+02 336.427 2.29853e+01  -1.00289e+01 0.00000e+00 0.00000e+00 3.12482e+02 336.427 2.03440e+02 156.427 0.9799 
1 1 1 12 2  7  o 13 4.27641e+02 3.70896e+00 6.92072e+02 243.521 -1.91525e+01 -3.84493e+01 0.00000e+00 0.00000e+00 3.83650e+02 243.521 3.08422e+02 63.521  0.9883 
1 1 1 12 2  8  o 2  1.84250e+02 3.75169e+00 1.65136e+02 180.592 -4.37344e+00 -4.51955e-02 0.00000e+00 0.00000e+00 2.45648e+02 180.592 8.05114e+01 180.592 0.8765 
1 1 1 12 2  9  o 17 1.49019e+02 4.41638e+00 1.85754e+02 28.693  3.44988e+00  1.88818e+00  0.00000e+00 0.00000e+00 1.40326e+02 28.693  4.54284e+01 208.693 0.8609 
1 1 1 12 2  10 o 8  6.17203e+02 4.60725e+00 7.51462e+02 97.266  -8.23431e+00 6.45829e+01  0.00000e+00 0.00000e+00 8.03956e+02 97.266  5.24939e+01 97.266  0.9923 
1 1 1 12 2  11 o 5  1.68939e+02 3.95850e+00 2.48104e+02 12.878  6.93757e+00  1.58613e+00  0.00000e+00 0.00000e+00 1.49188e+02 12.878  9.89156e+01 192.878 0.9268 
1 1 1 12 2  12 o 16 3.88954e+02 3.62957e+00 5.08423e+02 2.438   3.31100e+01  1.40974e+00  0.00000e+00 0.00000e+00 4.62533e+02 2.438   4.58896e+01 182.438 0.9848 
1 1 1 12 2  13 o 11 4.23442e+01 1.03471e+01 1.14314e+02 53.309  3.99388e-01  5.35994e-01  0.00000e+00 0.00000e+00 8.03422e+01 233.309 1.94657e+02 233.309 0.3168 
1 1 1 12 2  14 o 15 1.16499e+02 5.47914e+00 9.97204e+01 285.418 4.25145e-01  -1.54161e+00 0.00000e+00 0.00000e+00 8.28754e+01 285.418 1.68450e+01 105.418 0.6197 
1 1 1 12 2  15 o 15 2.33648e+02 3.69015e+00 2.48626e+02 203.251 -7.23904e+00 -3.11030e+00 0.00000e+00 0.00000e+00 3.02739e+02 203.251 5.41130e+01 203.251 0.9342 
1 1 1 12 2  16 o 16 4.27297e+02 4.03344e+00 4.22531e+02 204.207 -2.90456e+01 -1.30578e+01 0.00000e+00 0.00000e+00 6.38331e+02 204.207 2.15800e+02 204.207 0.9842 
1 1 1 12 2  17 o 13 6.60612e+02 5.18859e+00 7.78842e+02 134.598 -6.22768e+01 6.31570e+01  0.00000e+00 0.00000e+00 8.75876e+02 134.598 9.70337e+01 134.598 0.9943 
1 1 1 12 2  18 o 1  1.33678e+02 4.47271e+00 1.06083e+02 231.109 -1.44764e+00 -1.79468e+00 0.00000e+00 0.00000e+00 1.43441e+02 231.109 3.73587e+01 231.109 0.7421 
1 1 1 12 2  19 o 14 1.09667e+02 5.59185e+00 1.24892e+02 311.466 1.43896e+00  -1.62841e+00 0.00000e+00 0.00000e+00 7.45661e+01 311.466 5.03259e+01 131.466 0.7242 
1 1 1 12 2  20 o 16 3.13084e+02 3.52796e+00 2.89867e+02 9.797   1.72871e+01  2.98496e+00  0.00000e+00 0.00000e+00 4.72336e+02 9.797   1.82469e+02 9.797   0.9711 
1 1 1 12 2  21 o 10 2.87937e+02 3.45293e+00 2.80991e+02 283.989 4.20224e+00  -1.68676e+01 0.00000e+00 0.00000e+00 4.18557e+02 283.989 1.37566e+02 283.989 0.9708 
1 1 1 12 2  22 o 13 2.41951e+02 3.71106e+00 2.30693e+02 109.136 -3.84400e+00 1.10782e+01  0.00000e+00 0.00000e+00 3.47318e+02 109.136 1.16625e+02 109.136 0.9564 
1 1 1 12 2  23 o 11 5.53483e+02 4.23061e+00 5.95003e+02 316.412 4.92831e+01  -4.69115e+01 0.00000e+00 0.00000e+00 7.74718e+02 316.412 1.79715e+02 316.412 0.9926 
1 1 1 12 2  24 o 14 2.50901e+02 3.54899e+00 3.37573e+02 48.758  1.20536e+01  1.37484e+01  0.00000e+00 0.00000e+00 2.69367e+02 48.758  6.82062e+01 228.758 0.9723 
1 1 1 12 2  25 o 2  5.01788e+02 4.01543e+00 4.00057e+02 330.926 3.69184e+01  -2.05262e+01 0.00000e+00 0.00000e+00 8.30954e+02 330.926 4.30896e+02 330.926 0.9881 
1 1 1 12 2  27 o 5  1.62777e+02 4.25888e+00 3.71971e+02 265.684 -1.08557e+00 -1.43856e+01 0.00000e+00 0.00000e+00 1.61602e+01 265.684 3.55811e+02 85.684  0.9647 
1 1 1 12 2  28 o 3  3.07892e+02 3.82508e+00 4.82664e+02 202.648 -3.64717e+01 -1.52176e+01 0.00000e+00 0.00000e+00 2.66882e+02 202.648 2.15782e+02 22.648  0.9873 
1 1 1 12 2  29 o 15 2.70492e+02 3.48611e+00 2.01108e+02 218.234 -1.17788e+01 -9.28040e+00 0.00000e+00 0.00000e+00 4.41662e+02 218.234 2.40554e+02 218.234 0.9661 
1 1 1 12 2  31 o 13 3.00283e+02 3.65307e+00 3.07367e+02 44.522  2.02177e+01  1.98831e+01  0.00000e+00 0.00000e+00 4.14376e+02 44.522  1.07009e+02 44.522  0.9822 
1 1 1 12 2  32 f 0  7.03598e+01 8.66090e+00 8.47359e+01 49.472  1.33270e+00  1.55884e+00  0.00000e+00 0.00000e+00 3.64833e+01 49.472  4.82527e+01 229.472 0.7060 
1 1 1 12 2  33 o 19 1.00041e+02 6.10591e+00 1.64822e+02 201.307 -5.01493e+00 -1.95591e+00 0.00000e+00 0.00000e+00 5.46735e+01 201.307 1.10149e+02 21.307  0.9016 
1 1 1 12 2  35 o 15 3.33530e+02 3.76293e+00 4.00054e+02 141.194 -4.14362e+01 3.33225e+01  0.00000e+00 0.00000e+00 3.99259e+02 141.194 7.95489e-01 321.194 0.9906 
1 1 1 12 2  36 o 3  2.34007e+02 3.87838e+00 2.19965e+02 269.607 -1.58897e-01 -2.31640e+01 0.00000e+00 0.00000e+00 3.32135e+02 269.607 1.12170e+02 269.607 0.9782 
1 1 1 12 2  37 o 13 3.05073e+02 3.73423e+00 2.95052e+02 78.014  8.21178e+00  3.86804e+01  0.00000e+00 0.00000e+00 4.29131e+02 78.014  1.34079e+02 78.014  0.9873 
1 1 1 12 2  38 o 17 4.90901e+01 1.04782e+01 1.50667e+02 287.200 9.06711e-01  -2.92906e+00 0.00000e+00 0.00000e+00 5.48091e+01 107.200 2.05476e+02 107.200 0.8148 
1 1 1 12 2  39 o 19 7.66112e+01 7.72121e+00 6.21086e+01 16.192  2.47818e+00  7.19585e-01  0.00000e+00 0.00000e+00 7.94384e+01 16.192  1.73298e+01 16.192  0.7735 
1 1 1 12 2  40 o 3  4.86073e+01 1.05800e+01 7.25768e+01 75.687  4.19964e-01  1.64600e+00  0.00000e+00 0.00000e+00 1.65995e+00 75.687  7.09168e+01 255.687 0.6416 
1 1 1 12 2  41 o 11 1.33200e+02 4.86883e+00 1.78499e+02 88.192  5.03285e-01  1.59484e+01  0.00000e+00 0.00000e+00 1.27418e+02 88.192  5.10803e+01 268.193 0.9681 
1 1 1 12 2  42 o 16 7.90378e+01 7.17900e+00 6.08361e+01 40.000  2.47738e+00  2.07877e+00  0.00000e+00 0.00000e+00 9.34648e+01 40.000  3.26287e+01 40.000  0.8259 
1 1 1 12 2  43 o 3  7.52557e+01 9.10559e+00 9.04738e+01 201.130 -4.14997e+00 -1.60383e+00 0.00000e+00 0.00000e+00 6.52846e+01 201.130 2.51893e+01 21.130  0.8788 
1 1 1 12 2  44 o 14 1.00442e+02 6.28414e+00 9.38091e+01 179.398 -7.03620e+00 7.38955e-02  0.00000e+00 0.00000e+00 1.24404e+02 179.398 3.05947e+01 179.398 0.9259 
1 1 1 12 2  45 o 12 8.32900e+01 7.13751e+00 1.29922e+02 207.626 -6.73783e+00 -3.52631e+00 0.00000e+00 0.00000e+00 5.14611e+01 207.626 7.84607e+01 27.626  0.9317 
1 1 1 12 2  46 o 17 4.32785e+01 8.63201e+00 4.12870e+01 124.913 -8.71325e-01 1.24840e+00  0.00000e+00 0.00000e+00 1.93321e+01 124.913 2.19550e+01 304.913 0.6016 
1 1 1 12 2  47 o 3  9.15109e+01 5.39721e+00 6.12710e+01 204.425 -5.04816e+00 -2.29263e+00 0.00000e+00 0.00000e+00 1.30693e+02 204.425 6.94222e+01 204.425 0.9046 
1 1 1 12 2  48 o 9  2.30168e+02 4.43968e+00 2.35254e+02 348.241 5.41839e+01  -1.12790e+01 0.00000e+00 0.00000e+00 2.91461e+02 348.241 5.62073e+01 348.241 0.9909 
1 1 1 12 2  49 o 19 9.93723e+01 5.47132e+00 9.37191e+01 316.631 7.68998e+00  -7.26416e+00 0.00000e+00 0.00000e+00 1.23723e+02 316.631 3.00037e+01 316.631 0.9515 
1 1 1 12 2  50 o 10 5.35355e+01 1.22304e+01 4.63454e+01 166.638 -2.48239e+00 5.89642e-01  0.00000e+00 0.00000e+00 4.81088e+01 166.638 1.76336e+00 166.638 0.7705 
1 1 1 12 2  51 o 11 3.54387e+01 9.91197e+00 7.37544e+01 160.280 -3.02822e+00 1.08544e+00  0.00000e+00 0.00000e+00 7.10992e+00 340.280 8.08643e+01 340.280 0.8248 
1 1 1 12 2  52 o 10 6.51514e+01 7.76572e+00 8.50744e+01 84.175  7.36578e-01  7.21986e+00  0.00000e+00 0.00000e+00 5.22058e+01 84.175  3.28687e+01 264.175 0.9283 
1 1 1 12 2  53 o 8  1.70923e+02 4.82999e+00 1.75980e+02 132.148 -2.81607e+01 3.11142e+01  0.00000e+00 0.00000e+00 2.05606e+02 132.148 2.96262e+01 132.148 0.9880 
1 1 1 12 2  54 o 8  8.56761e+01 6.34146e+00 1.17074e+02 82.804  1.74703e+00  1.38372e+01  0.00000e+00 0.00000e+00 6.85853e+01 82.804  4.84885e+01 262.804 0.9635 
1 1 1 12 2  55 o 17 1.00104e+02 8.19792e+00 1.18624e+02 324.924 1.45927e+01  -1.02469e+01 0.00000e+00 0.00000e+00 9.90935e+01 324.924 1.95308e+01 144.924 0.9715 
1 1 1 12 2  56 o 5  1.35977e+02 5.98158e+00 8.37341e+01 330.558 1.76265e+01  -9.94895e+00 0.00000e+00 0.00000e+00 2.11634e+02 330.558 1.27900e+02 330.558 0.9750 
1 1 1 12 2  57 f 0  1.52488e+02 5.26404e+00 1.36455e+02 259.372 -6.73650e+00 -3.58995e+01 0.00000e+00 0.00000e+00 1.96966e+02 259.372 6.05109e+01 259.372 0.9862 
1 1 1 12 2  58 o 14 7.17170e+01 8.37344e+00 6.38587e+01 325.492 6.66227e+00  -4.58022e+00 0.00000e+00 0.00000e+00 8.42237e+01 325.492 2.03650e+01 325.492 0.9359 
1 1 1 12 2  59 o 8  5.17573e+01 1.10742e+01 5.45054e+01 355.947 5.02768e+00  -3.56283e-01 0.00000e+00 0.00000e+00 4.70959e+01 355.947 7.40942e+00 175.947 0.8943 
1 1 1 12 2  60 o 19 1.91494e+02 4.99991e+00 1.49651e+02 222.056 -5.03272e+01 -4.54038e+01 0.00000e+00 0.00000e+00 2.65434e+02 222.056 1.15784e+02 222.056 0.9926 
1 1 1 12 2  61 o 14 4.44303e+01 7.62405e+00 2.82297e+01 53.345  1.76285e+00  2.36892e+00  0.00000e+00 0.00000e+00 4.96087e+01 53.345  2.13790e+01 53.345  0.8064 
1 1 1 12 2  62 o 8  4.71818e+01 1.25090e+01 3.56904e+01 352.030 3.16717e+00  -4.43404e-01 0.00000e+00 0.00000e+00 4.82832e+01 352.030 1.25928e+01 352.030 0.8236 
1 1 1 12 3  0  o 1  6.72620e+01 1.49110e+01 1.75867e+01 180.000 -9.90296e-02 0.00000e+00  0.00000e+00 0.00000e+00 6.40126e-01 0.000   1.82268e+01 0.000   0.0987 
1 1 1 12 3  1  o 18 4.04063e+02 4.20806e+00 5.03255e+02 238.903 -1.54142e+01 -2.55558e+01 0.00000e+00 0.00000e+00 5.10637e+02 238.903 7.38135e+00 238.903 0.9831 
1 1 1 12 3  2  o 4  4.58521e+02 4.17761e+00 5.59393e+02 83.316  4.37305e+00  3.73175e+01  0.00000e+00 0.00000e+00 5.95094e+02 83.316  3.57005e+01 83.316  0.9866 
1 1 1 12 3  3  o 19 4.15178e+02 3.71632e+00 7.31885e+02 87.398  2.01546e+00  4.43517e+01  0.00000e+00 0.00000e+00 3.15439e+02 87.398  4.16445e+02 267.398 0.9887 
1 1 1 12 3  4  o 3  5.62763e+01 8.91196e+00 8.68957e+01 268.068 -2.36845e-02 -7.02327e-01 0.00000e+00 0.00000e+00 3.93365e+01 88.069  1.26232e+02 88.069  0.3313 
1 1 1 12 3  5  o 17 3.27460e+02 3.34691e+00 3.42210e+02 227.327 -1.09896e+01 -1.19204e+01 0.00000e+00 0.00000e+00 4.66551e+02 227.327 1.24341e+02 227.327 0.9687 
1 1 1 12 3  6  o 13 2.27929e+02 3.41535e+00 3.38091e+02 149.696 -9.55805e+00 5.58621e+00  0.00000e+00 0.00000e+00 2.15901e+02 149.696 1.22190e+02 329.696 0.9537 
1 1 1 12 3  7  o 19 3.04645e+02 3.35540e+00 2.77739e+02 70.403  4.04420e+00  1.13591e+01  0.00000e+00 0.00000e+00 4.65310e+02 70.403  1.87571e+02 70.403  0.9576 
1 1 1 12 3  8  o 18 3.40153e+02 3.77981e+00 4.28489e+02 288.359 6.47813e+00  -1.95200e+01 0.00000e+00 0.00000e+00 4.16032e+02 288.359 1.24576e+01 108.359 0.9754 
1 1 1 12 3  9  o 8  4.18300e+02 3.76095e+00 4.53638e+02 345.516 3.14032e+01  -8.11205e+00 0.00000e+00 0.00000e+00 5.93808e+02 345.516 1.40170e+02 345.516 0.9845 
1 1 1 12 3  10 o 17 3.68771e+02 3.61636e+00 5.91524e+02 350.140 3.63286e+01  -6.31404e+00 0.00000e+00 0.00000e+00 3.32907e+02 350.140 2.58617e+02 170.140 0.9863 
1 1 1 12 3  11 o 17 5.02247e+02 4.11411e+00 4.81936e+02 239.019 -2.07868e+01 -3.46211e+01 0.00000e+00 0.00000e+00 7.77476e+02 239.019 2.95540e+02 239.019 0.9875 
1 1 1 12 3  12 o 8  4.76749e+02 4.64558e+00 5.74861e+02 60.664  1.87692e+01  3.33972e+01  0.00000e+00 0.00000e+00 6.18606e+02 60.664  4.37448e+01 60.664  0.9869 
1 1 1 12 3  13 o 14 3.35659e+02 3.58425e+00 3.82014e+02 256.736 -4.05557e+00 -1.72049e+01 0.00000e+00 0.00000e+00 4.44105e+02 256.736 6.20915e+01 256.736 0.9713 
1 1 1 12 3  14 o 17 2.25017e+02 4.07005e+00 3.92944e+02 193.500 -1.16522e+01 -2.79750e+00 0.00000e+00 0.00000e+00 1.52265e+02 193.500 2.40679e+02 13.500  0.9573 
1 1 1 12 3  15 o 4  1.77344e+02 4.17534e+00 2.32952e+02 62.950  3.31600e+00  6.49386e+00  0.00000e+00 0.00000e+00 1.83357e+02 62.950  4.95953e+01 242.949 0.9287 
1 1 1 12 3  16 o 10 4.91188e+02 4.21924e+00 6.55252e+02 254.326 -1.50519e+01 -5.36419e+01 0.00000e+00 0.00000e+00 5.73549e+02 254.326 8.17024e+01 74.326  0.9910 
1 1 1 12 3  17 o 10 4.99310e+02 3.97486e+00 6.81395e+02 141.510 -4.34831e+01 3.45753e+01  0.00000e+00 0.00000e+00 5.65915e+02 141.510 1.15480e+02 321.510 0.9910 
1 1 1 12 3  18 o 16 2.41109e+02 3.78132e+00 3.64144e+02 259.018 -2.67485e+00 -1.37837e+01 0.00000e+00 0.00000e+00 2.20714e+02 259.018 1.43430e+02 79.018  0.9637 
1 1 1 12 3  19 o 17 2.05587e+02 3.75569e+00 2.78698e+02 40.369  8.48292e+00  7.21165e+00  0.00000e+00 0.00000e+00 2.14173e+02 40.369  6.45256e+01 220.369 0.9540 
1 1 1 12 3  20 o 8  6.24115e+02 4.56690e+00 6.75270e+02 133.566 -5.50905e+01 5.79188e+01  0.00000e+00 0.00000e+00 8.80694e+02 133.566 2.05424e+02 133.566 0.9937 
1 1 1 12 3  21 o 9  3.73445e+02 3.80145e+00 4.57727e+02 334.705 3.26965e+01  -1.54518e+01 0.00000e+00 0.00000e+00 4.64500e+02 334.705 6.77357e+00 334.705 0.9861 
1 1 1 12 3  22 o 7  2.11020e+02 3.55542e+00 2.45912e+02 358.176 1.08239e+01  -3.44617e-01 0.00000e+00 0.00000e+00 2.56604e+02 358.176 1.06917e+01 358.176 0.9526 
1 1 1 12 3  23 o 18 2.55093e+02 3.64599e+00 3.70850e+02 279.462 3.16701e+00  -1.90031e+01 0.00000e+00 0.00000e+00 2.48836e+02 279.462 1.22013e+02 99.462  0.9737 
1 1 1 12 3  24 o 15 4.47504e+01 9.63818e+00 1.37436e+02 60.197  6.36832e-01  1.11183e+00  0.00000e+00 0.00000e+00 7.75757e+01 240.197 2.15012e+02 240.197 0.5372 
1 1 1 12 3  25 f 0  2.65147e+02 3.73166e+00 2.23142e+02 226.791 -9.35355e+00 -9.95732e+00 0.00000e+00 0.00000e+00 4.11050e+02 226.791 1.87908e+02 226.791 0.9627 
1 1 1 12 3  26 o 2  5.41244e+01 9.58681e+00 3.62564e+01 194.200 -4.48888e-01 -1.13589e-01 0.00000e+00 0.00000e+00 5.99489e+00 14.200  4.22513e+01 14.200  0.2255 
1 1 1 12 3  27 o 2  1.67480e+02 4.19729e+00 1.19846e+02 69.356  1.66268e+00  4.41323e+00  0.00000e+00 0.00000e+00 2.47330e+02 69.356  1.27484e+02 69.356  0.8864 
1 1 1 12 3  28 o 13 2.12088e+02 3.90638e+00 2.73139e+02 138.095 -1.13098e+01 1.01495e+01  0.00000e+00 0.00000e+00 2.32684e+02 138.095 4.04551e+01 318.095 0.9665 
1 1 1 12 3  30 o 18 2.61237e+02 3.69240e+00 2.20037e+02 8.504   1.77168e+01  2.64896e+00  0.00000e+00 0.00000e+00 4.03207e+02 8.504   1.83170e+02 8.504   0.9717 
1 1 1 12 3  31 f 0  1.19350e+02 5.48069e+00 1.98046e+02 14.301  8.14852e+00  2.07723e+00  0.00000e+00 0.00000e+00 7.62504e+01 14.301  1.21795e+02 194.301 0.9385 
1 1 1 12 3  32 o 18 2.19162e+02 3.69469e+00 2.33418e+02 185.603 -1.70418e+01 -1.67192e+00 0.00000e+00 0.00000e+00 2.85946e+02 185.603 5.25287e+01 185.603 0.9703 
1 1 1 12 3  34 o 15 2.15953e+02 3.83650e+00 2.49562e+02 30.124  1.88737e+01  1.09513e+01  0.00000e+00 0.00000e+00 2.62680e+02 30.124  1.31181e+01 30.124  0.9768 
1 1 1 12 3  35 o 14 2.38109e+02 3.81666e+00 2.80012e+02 224.282 -2.18273e+01 -2.12871e+01 0.00000e+00 0.00000e+00 2.86941e+02 224.282 6.92931e+00 224.282 0.9835 
1 1 1 12 3  36 o 13 3.28504e+02 3.87961e+00 2.79237e+02 66.554  1.63001e+01  3.75839e+01  0.00000e+00 0.00000e+00 5.03934e+02 66.554  2.24696e+02 66.554  0.9877 
1 1 1 12 3  37 o 10 8.32872e+01 7.61925e+00 1.07467e+02 28.439  3.40675e+00  1.84502e+00  0.00000e+00 0.00000e+00 6.45764e+01 28.439  4.28906e+01 208.439 0.8585 
1 1 1 12 3  38 o 7  5.14291e+01 1.08185e+01 3.71122e+01 177.231 -8.78996e-01 4.25109e-02  0.00000e+00 0.00000e+00 1.25053e+01 177.231 2.46070e+01 357.231 0.4023 
1 1 1 12 3  39 o 7  4.54059e+01 9.32634e+00 4.12882e+01 164.202 -9.52975e-01 2.69627e-01  0.00000e+00 0.00000e+00 6.79087e+00 164.202 3.44974e+01 344.202 0.4430 
1 1 1 12 3  40 o 2  2.14060e+02 3.80366e+00 3.14373e+02 289.467 1.13324e+01  -3.20594e+01 0.00000e+00 0.00000e+00 1.88017e+02 289.467 1.26356e+02 109.467 0.9852 
1 1 1 12 3  41 o 12 9.93218e+01 5.91831e+00 9.49277e+01 261.711 -8.96607e-01 -6.15424e+00 0.00000e+00 0.00000e+00 1.20965e+02 261.711 2.60373e+01 261.711 0.9156 
1 1 1 12 3  42 o 15 1.30727e+02 4.73445e+00 1.18225e+02 47.455  7.29225e+00  7.94555e+00  0.00000e+00 0.00000e+00 1.76299e+02 47.455  5.80743e+01 47.455  0.9524 
1 1 1 12 3  43 o 19 3.98661e+01 9.46421e+00 3.10008e+01 68.729  2.96570e-01  7.61793e-01  0.00000e+00 0.00000e+00 4.51563e+00 68.729  2.64852e+01 248.729 0.3780 
1 1 1 12 3  44 o 5  1.20029e+02 7.03740e+00 1.52215e+02 347.709 1.31133e+01  -2.85694e+00 0.00000e+00 0.00000e+00 1.18897e+02 347.709 3.33189e+01 167.709 0.9620 
1 1 1 12 3  45 o 4  1.14472e+02 7.32912e+00 1.29893e+02 124.085 -7.37778e+00 1.09030e+01  0.00000e+00 0.00000e+00 1.27476e+02 124.085 2.41663e+00 304.085 0.9612 
1 1 1 12 3  46 o 13 3.32670e+01 1.06451e+01 6.03377e+01 58.078  7.85042e-01  1.26016e+00  0.00000e+00 0.00000e+00 1.44291e+01 238.078 7.47667e+01 238.078 0.5923 
1 1 1 12 3  47 o 1  1.57365e+02 4.09162e+00 1.51017e+02 295.071 1.00306e+01  -2.14409e+01 0.00000e+00 0.00000e+00 2.06348e+02 295.071 5.53311e+01 295.071 0.9786 
1 1 1 12 3  48 o 9  1.21359e+02 4.69180e+00 1.96341e+02 135.202 -1.65033e+01 1.63874e+01  0.00000e+00 0.00000e+00 7.80206e+01 135.202 1.18321e+02 315.202 0.9783 
1 1 1 12 3  49 o 16 1.17699e+02 4.76546e+00 1.16300e+02 27.172  1.38720e+01  7.12082e+00  0.00000e+00 0.00000e+00 1.45731e+02 27.172  2.94309e+01 27.172  0.9674 
1 1 1 12 3  51 o 17 7.31197e+01 6.76840e+00 4.98597e+01 128.320 -2.98462e+00 3.77645e+00  0.00000e+00 0.00000e+00 9.84288e+01 128.320 4.85692e+01 128.320 0.8889 
1 1 1 12 3  52 o 9  3.48799e+01 1.01265e+01 4.61000e+01 38.626  1.48604e+00  1.18738e+00  0.00000e+00 0.00000e+00 7.85702e+00 38.626  3.82430e+01 218.626 0.6810 
1 1 1 12 3  53 o 10 9.46401e+01 6.37633e+00 1.12578e+02 198.921 -1.36067e+01 -4.66416e+00 0.00000e+00 0.00000e+00 9.38433e+01 198.921 1.87348e+01 18.921  0.9646 
1 1 1 12 3  54 o 1  8.89548e+01 7.71509e+00 1.32966e+02 9.923   1.77909e+01  3.11244e+00  0.00000e+00 0.00000e+00 6.16274e+01 9.923   7.13389e+01 189.923 0.9719 
1 1 1 12 3  55 o 14 7.80862e+01 8.90379e+00 9.24018e+01 226.078 -7.32661e+00 -7.60773e+00 0.00000e+00 0.00000e+00 7.40296e+01 226.078 1.83722e+01 46.078  0.9514 
1 1 1 12 3  56 o 18 5.14312e+01 1.08541e+01 3.68896e+01 51.757  1.78735e+00  2.26782e+00  0.00000e+00 0.00000e+00 5.49944e+01 51.757  1.81048e+01 51.757  0.8013 
1 1 1 12 3  57 o 3  6.12849e+01 9.86186e+00 6.11303e+01 234.044 -3.42188e+00 -4.71738e+00 0.00000e+00 0.00000e+00 6.25491e+01 234.044 1.41879e+00 234.044 0.9096 
1 1 1 12 3  58 o 15 8.54344e+01 7.16040e+00 6.09441e+01 146.309 -7.89953e+00 5.26648e+00  0.00000e+00 0.00000e+00 1.17441e+02 146.309 5.64972e+01 146.309 0.9458 
1 1 1 12 3  59 o 8  7.80750e+01 8.30882e+00 1.18856e+02 103.482 -4.29928e+00 1.79322e+01  0.00000e+00 0.00000e+00 4.79259e+01 103.482 7.09300e+01 283.482 0.9725 
1 1 1 12 3  60 o 10 7.42730e+01 8.52830e+00 7.78468e+01 277.635 1.61030e+00  -1.20128e+01 0.00000e+00 0.00000e+00 7.76177e+01 277.635 2.29166e-01 97.635  0.9578 
1 1 1 12 3  61 o 11 8.54806e+01 7.99871e+00 8.84581e+01 20.492  1.71265e+01  6.40065e+00  0.00000e+00 0.00000e+00 9.22182e+01 20.492  3.76012e+00 20.492  0.9723 
1 1 1 12 3  62 o 10 4.73685e+01 1.08847e+01 5.30388e+01 171.386 -5.67736e+00 8.60066e-01  0.00000e+00 0.00000e+00 3.99859e+01 171.386 1.30529e+01 351.386 0.9082 
1 1 1 12 4  0  o 9  9.01207e+02 8.80722e+00 1.18444e+03 180.000 -7.60373e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.11816e+03 180.000 6.62831e+01 0.000   1.0000 
1 1 1 12 4  1  o 13 7.48120e+02 5.33211e+00 1.02871e+03 133.403 -7.54336e+01 7.97616e+01  0.00000e+00 0.00000e+00 8.73942e+02 133.403 1.54773e+02 313.403 0.9954 
1 1 1 12 4  2  o 5  3.29944e+02 3.73857e+00 3.58340e+02 258.563 -3.34678e+00 -1.65433e+01 0.00000e+00 0.00000e+00 4.59166e+02 258.563 1.00826e+02 258.563 0.9699 
1 1 1 12 4  3  o 14 2.06436e+02 3.85544e+00 2.98070e+02 304.602 4.97203e+00  -7.20676e+00 0.00000e+00 0.00000e+00 1.98082e+02 304.602 9.99879e+01 124.602 0.9410 
1 1 1 12 4  4  o 8  2.11814e+02 3.47181e+00 2.08184e+02 351.407 6.18040e+00  -9.33928e-01 0.00000e+00 0.00000e+00 2.87249e+02 351.407 7.90645e+01 351.407 0.9161 
1 1 1 12 4  5  o 9  1.59028e+02 4.30009e+00 1.89201e+02 321.630 4.06430e+00  -3.21791e+00 0.00000e+00 0.00000e+00 1.75070e+02 321.630 1.41311e+01 141.630 0.8975 
1 1 1 12 4  6  o 4  2.66616e+02 3.46159e+00 2.50194e+02 206.304 -1.02492e+01 -5.06639e+00 0.00000e+00 0.00000e+00 3.99496e+02 206.304 1.49301e+02 206.304 0.9552 
1 1 1 12 4  7  o 16 2.38643e+02 3.45097e+00 2.20842e+02 38.996  6.96609e+00  5.64029e+00  0.00000e+00 0.00000e+00 3.52591e+02 38.996  1.31749e+02 38.996  0.9424 
1 1 1 12 4  8  o 4  5.58320e+02 4.68051e+00 5.68770e+02 51.780  3.30479e+01  4.19662e+01  0.00000e+00 0.00000e+00 8.40439e+02 51.780  2.71670e+02 51.780  0.9906 
1 1 1 12 4  9  o 2  3.98820e+02 4.01680e+00 6.00069e+02 265.401 -3.20003e+00 -3.97810e+01 0.00000e+00 0.00000e+00 4.02567e+02 265.401 1.97502e+02 85.401  0.9874 
1 1 1 12 4  10 o 6  5.47991e+02 4.72023e+00 5.27262e+02 205.405 -3.65379e+01 -1.73533e+01 0.00000e+00 0.00000e+00 8.49499e+02 205.405 3.22237e+02 205.405 0.9876 
1 1 1 12 4  11 o 2  2.08440e+02 4.35161e+00 1.91500e+02 106.474 -1.56519e+00 5.29276e+00  0.00000e+00 0.00000e+00 2.87531e+02 106.474 9.60307e+01 106.474 0.9042 
1 1 1 12 4  12 o 10 5.56731e+02 4.78847e+00 7.23721e+02 254.979 -1.42294e+01 -5.30257e+01 0.00000e+00 0.00000e+00 6.76997e+02 254.979 4.67231e+01 74.979  0.9909 
1 1 1 12 4  13 o 2  3.79783e+02 4.03670e+00 3.56947e+02 159.522 -2.26271e+01 8.45012e+00  0.00000e+00 0.00000e+00 5.86203e+02 159.522 2.29256e+02 159.522 0.9791 
1 1 1 12 4  14 o 5  3.69197e+02 3.86168e+00 4.81891e+02 29.902  2.70251e+01  1.55412e+01  0.00000e+00 0.00000e+00 4.38347e+02 29.902  4.35442e+01 209.902 0.9838 
1 1 1 12 4  15 f 0  5.31417e+02 4.30358e+00 5.24246e+02 209.685 -4.00512e+01 -2.28310e+01 0.00000e+00 0.00000e+00 8.05757e+02 209.685 2.81512e+02 209.685 0.9891 
1 1 1 12 4  16 o 1  4.85728e+02 3.94222e+00 4.46126e+02 73.907  9.75976e+00  3.38282e+01  0.00000e+00 0.00000e+00 7.63733e+02 73.907  3.17607e+02 73.907  0.9857 
1 1 1 12 4  17 o 10 1.06510e+02 5.43907e+00 2.33483e+02 47.065  2.69080e+00  2.89213e+00  0.00000e+00 0.00000e+00 1.92093e+00 227.065 2.35404e+02 227.065 0.8616 
1 1 1 12 4  18 o 4  4.28116e+02 3.61109e+00 4.61834e+02 22.652  3.53821e+01  1.47660e+01  0.00000e+00 0.00000e+00 6.02667e+02 22.652  1.40833e+02 22.652  0.9869 
1 1 1 12 4  19 o 3  1.26979e+02 4.87514e+00 2.08566e+02 163.055 -5.45574e+00 1.66222e+00  0.00000e+00 0.00000e+00 8.13052e+01 163.055 1.27261e+02 343.055 0.9075 
1 1 1 12 4  20 o 18 4.54990e+02 3.72132e+00 3.47370e+02 241.064 -1.61865e+01 -2.92786e+01 0.00000e+00 0.00000e+00 7.78045e+02 241.064 4.30674e+02 241.064 0.9849 
1 1 1 12 4  21 o 8  6.76802e+02 4.89914e+00 7.87365e+02 315.629 7.93583e+01  -7.76351e+01 0.00000e+00 0.00000e+00 9.01635e+02 315.629 1.14270e+02 315.629 0.9955 
1 1 1 12 4  22 o 8  2.46608e+02 3.62571e+00 2.92201e+02 51.316  9.19395e+00  1.14825e+01  0.00000e+00 0.00000e+00 3.03511e+02 51.316  1.13099e+01 51.316  0.9654 
1 1 1 12 4  23 o 19 3.74566e+02 3.60622e+00 5.35885e+02 293.478 1.70702e+01  -3.92997e+01 0.00000e+00 0.00000e+00 3.88567e+02 293.478 1.47318e+02 113.478 0.9883 
1 1 1 12 4  24 o 1  6.05365e+02 4.82111e+00 6.88187e+02 325.283 7.92010e+01  -5.48763e+01 0.00000e+00 0.00000e+00 8.12727e+02 325.283 1.24540e+02 325.283 0.9948 
1 1 1 12 4  25 o 15 5.09983e+02 4.11111e+00 4.83524e+02 165.542 -5.40480e+01 1.39356e+01  0.00000e+00 0.00000e+00 7.73419e+02 165.542 2.89895e+02 165.542 0.9910 
1 1 1 12 4  26 o 17 4.19443e+01 1.02281e+01 1.54055e+02 128.980 -9.37184e-01 1.15814e+00  0.00000e+00 0.00000e+00 9.22668e+01 308.980 2.46322e+02 308.980 0.5936 
1 1 1 12 4  27 o 11 2.01374e+02 3.94887e+00 2.90822e+02 187.714 -1.53306e+01 -2.07668e+00 0.00000e+00 0.00000e+00 1.91371e+02 187.714 9.94511e+01 7.714   0.9671 
1 1 1 12 4  28 o 2  1.70895e+02 4.53802e+00 7.68032e+01 76.323  8.48503e-01  3.48691e+00  0.00000e+00 0.00000e+00 2.80143e+02 76.323  2.03340e+02 76.323  0.8456 
1 1 1 12 4  29 o 17 2.68494e+02 3.70707e+00 2.96470e+02 30.980  2.14513e+01  1.28790e+01  0.00000e+00 0.00000e+00 3.51738e+02 30.980  5.52679e+01 30.980  0.9798 
1 1 1 12 4  30 o 2  2.30217e+02 3.80053e+00 4.01209e+02 80.950  5.25258e+00  3.29761e+01  0.00000e+00 0.00000e+00 1.56065e+02 80.950  2.45143e+02 260.950 0.9849 
1 1 1 12 4  31 o 2  3.04721e+02 3.74790e+00 3.18283e+02 122.836 -1.85348e+01 2.87210e+01  0.00000e+00 0.00000e+00 4.17662e+02 122.836 9.93796e+01 122.836 0.9853 
1 1 1 12 4  32 o 10 2.28451e+02 3.88646e+00 3.09822e+02 89.858  5.78919e-02  2.32918e+01  0.00000e+00 0.00000e+00 2.36531e+02 89.858  7.32914e+01 269.858 0.9783 
1 1 1 12 4  34 f 0  3.08920e+02 3.64306e+00 2.56689e+02 244.543 -1.36039e+01 -2.85769e+01 0.00000e+00 0.00000e+00 4.82256e+02 244.543 2.25567e+02 244.543 0.9841 
1 1 1 12 4  35 o 3  3.44830e+02 3.63473e+00 3.65532e+02 224.797 -4.03790e+01 -4.00941e+01 0.00000e+00 0.00000e+00 4.62793e+02 224.797 9.72615e+01 224.797 0.9912 
1 1 1 12 4  36 o 14 2.69606e+02 3.64097e+00 2.50585e+02 176.060 -2.97019e+01 2.04544e+00  0.00000e+00 0.00000e+00 3.89775e+02 176.060 1.39190e+02 176.060 0.9831 
1 1 1 12 4  37 o 1  1.05853e+02 5.86478e+00 1.37085e+02 246.970 -2.77809e+00 -6.53531e+00 0.00000e+00 0.00000e+00 9.91626e+01 246.970 3.79220e+01 66.970  0.9266 
1 1 1 12 4  38 o 9  1.49839e+02 4.92020e+00 1.67494e+02 326.008 1.15991e+01  -7.82136e+00 0.00000e+00 0.00000e+00 1.79122e+02 326.008 1.16276e+01 326.008 0.9636 
1 1 1 12 4  39 o 15 1.89289e+02 4.27767e+00 1.17136e+02 87.730  4.49049e-01  1.13297e+01  0.00000e+00 0.00000e+00 3.15329e+02 87.730  1.98193e+02 87.730  0.9548 
1 1 1 12 4  40 o 16 1.11809e+02 5.84022e+00 1.16739e+02 3.481   8.71892e+00  5.30390e-01  0.00000e+00 0.00000e+00 1.34122e+02 3.481   1.73826e+01 3.481   0.9409 
1 1 1 12 4  41 o 6  1.99991e+02 3.85804e+00 2.07603e+02 15.721  2.78599e+01  7.84215e+00  0.00000e+00 0.00000e+00 2.59355e+02 15.721  5.17523e+01 15.721  0.9826 
1 1 1 12 4  42 o 16 2.19460e+02 3.79460e+00 1.71929e+02 207.303 -2.32861e+01 -1.20206e+01 0.00000e+00 0.00000e+00 3.37699e+02 207.303 1.65771e+02 207.303 0.9807 
1 1 1 12 4  43 o 8  1.44815e+02 4.28498e+00 1.85747e+02 281.775 4.20751e+00  -2.01841e+01 0.00000e+00 0.00000e+00 1.47503e+02 281.775 3.82441e+01 101.775 0.9754 
1 1 1 12 4  44 o 17 1.67429e+02 3.98239e+00 2.06287e+02 359.210 2.51901e+01  -3.47321e-01 0.00000e+00 0.00000e+00 1.79331e+02 359.210 2.69560e+01 179.210 0.9799 
1 1 1 12 4  45 o 15 1.87438e+02 4.64520e+00 1.21690e+02 251.415 -6.59077e+00 -1.96015e+01 0.00000e+00 0.00000e+00 3.06414e+02 251.415 1.84724e+02 251.415 0.9755 
1 1 1 12 4  46 o 13 4.59055e+01 1.04611e+01 5.88843e+01 283.370 5.70141e-01  -2.39880e+00 0.00000e+00 0.00000e+00 2.26084e+01 283.370 3.62759e+01 103.370 0.7612 
1 1 1 12 4  47 o 12 6.22990e+01 1.10491e+01 8.11468e+01 43.824  3.35163e+00  3.21683e+00  0.00000e+00 0.00000e+00 4.68413e+01 43.824  3.43055e+01 223.824 0.8845 
1 1 1 12 4  48 o 1  7.75552e+01 7.12376e+00 9.46367e+01 234.838 -3.95791e+00 -5.61853e+00 0.00000e+00 0.00000e+00 7.11508e+01 234.838 2.34859e+01 54.838  0.9241 
1 1 1 12 4  49 o 3  1.10005e+02 5.61473e+00 1.17494e+02 143.297 -1.24979e+01 9.31679e+00  0.00000e+00 0.00000e+00 1.27651e+02 143.297 1.01571e+01 143.297 0.9674 
1 1 1 12 4  50 o 4  5.04770e+01 1.56466e+01 6.03938e+01 333.624 2.08354e+00  -1.03317e+00 0.00000e+00 0.00000e+00 2.58225e+01 333.624 3.45713e+01 153.624 0.7446 
1 1 1 12 4  51 o 17 8.90755e+01 1.05503e+01 7.15634e+01 246.852 -3.07622e+00 -7.19554e+00 0.00000e+00 0.00000e+00 1.18390e+02 246.852 4.68263e+01 246.852 0.9337 
1 1 1 12 4  52 o 13 3.66288e+01 1.10376e+01 4.34511e+01 328.528 1.55326e+00  -9.50805e-01 0.00000e+00 0.00000e+00 1.20249e+01 328.528 3.14262e+01 148.528 0.6661 
1 1 1 12 4  53 o 5  3.56848e+01 1.00952e+01 3.09231e+01 93.320  -8.18170e-02 1.41038e+00  0.00000e+00 0.00000e+00 1.54242e+01 93.320  1.54989e+01 273.320 0.5738 
1 1 1 12 4  54 o 12 5.50420e+01 1.12159e+01 7.12440e+01 133.900 -3.75027e+00 3.89709e+00  0.00000e+00 0.00000e+00 4.06221e+01 133.900 3.06220e+01 313.900 0.9021 
1 1 1 12 4  55 o 5  6.23021e+01 8.87573e+00 6.43206e+01 341.268 5.44530e+00  -1.84655e+00 0.00000e+00 0.00000e+00 6.25761e+01 341.268 1.74452e+00 161.268 0.9083 
1 1 1 12 4  56 f 0  4.22126e+01 9.87360e+00 5.11646e+01 147.959 -2.85779e+00 1.78858e+00  0.00000e+00 0.00000e+00 2.74131e+01 147.959 2.37514e+01 327.959 0.8341 
1 1 1 12 4  57 o 9  1.03655e+02 6.60296e+00 9.81296e+01 142.373 -1.37077e+01 1.05668e+01  0.00000e+00 0.00000e+00 1.25324e+02 142.373 2.71948e+01 142.373 0.9707 
1 1 1 12 4  58 o 2  4.09283e+01 1.07242e+01 5.19077e+01 204.933 -3.35138e+00 -1.55799e+00 0.00000e+00 0.00000e+00 2.50371e+01 204.933 2.68706e+01 24.933  0.8507 
1 1 1 12 4  59 o 5  9.28243e+01 8.67357e+00 8.11746e+01 248.768 -5.75150e+00 -1.48039e+01 0.00000e+00 0.00000e+00 1.16391e+02 248.768 3.52168e+01 248.768 0.9680 
1 1 1 12 4  60 o 4  4.55651e+01 1.06936e+01 4.34294e+01 318.410 3.07352e+00  -2.72787e+00 0.00000e+00 0.00000e+00 4.30485e+01 318.410 3.80987e-01 138.410 0.8676 
1 1 1 12 4  61 o 9  6.38459e+01 1.02853e+01 7.62090e+01 97.982  -1.46388e+00 1.04398e+01  0.00000e+00 0.00000e+00 5.59644e+01 97.982  2.02446e+01 277.982 0.9513 
1 1 1 12 4  62 o 2  5.20995e+01 1.43455e+01 6.39216e+01 310.211 4.02397e+00  -4.75979e+00 0.00000e+00 0.00000e+00 3.93615e+01 310.211 2.45602e+01 130.212 0.9158 
1 1 1 12 5  0  o 12 1.90835e+02 5.42376e+00 4.41226e+02 180.000 -7.13945e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.69852e+01 180.000 3.94241e+02 0.000   1.0000 
1 1 1 12 5  1  o 12 5.13589e+02 3.82401e+00 5.91435e+02 103.558 -1.20690e+01 5.00469e+01  0.00000e+00 0.00000e+00 7.09596e+02 103.558 1.18160e+02 103.558 0.9902 
1 1 1 12 5  2  o 1  2.01698e+02 3.38287e+00 1.83966e+02 39.915  4.81835e+00  4.03087e+00  0.00000e+00 0.00000e+00 2.88885e+02 39.915  1.04919e+02 39.915  0.9165 
1 1 1 12 5  3  o 3  4.10990e+02 3.57244e+00 5.12377e+02 229.269 -2.31887e+01 -2.69297e+01 0.00000e+00 0.00000e+00 5.23754e+02 229.269 1.13764e+01 229.269 0.9858 
1 1 1 12 5  4  o 12 2.90756e+02 3.33112e+00 2.93249e+02 169.727 -1.41058e+01 2.55659e+00  0.00000e+00 0.00000e+00 4.23664e+02 169.727 1.30414e+02 169.727 0.9645 
1 1 1 12 5  5  o 16 3.26678e+02 3.69139e+00 2.46204e+02 77.374  2.93886e+00  1.31201e+01  0.00000e+00 0.00000e+00 5.56961e+02 77.374  3.10757e+02 77.374  0.9621 
1 1 1 12 5  6  o 5  3.79186e+02 4.64902e+00 3.99224e+02 42.982  1.56101e+01  1.45477e+01  0.00000e+00 0.00000e+00 5.46366e+02 42.982  1.47142e+02 42.982  0.9763 
1 1 1 12 5  7  o 8  7.07721e+02 5.79813e+00 9.27704e+02 40.077  7.00940e+01  5.89770e+01  0.00000e+00 0.00000e+00 8.69143e+02 40.077  5.85613e+01 220.077 0.9945 
1 1 1 12 5  8  o 7  8.49775e+02 7.49893e+00 1.11010e+03 307.060 7.82804e+01  -1.03656e+02 0.00000e+00 0.00000e+00 1.04952e+03 307.060 6.05748e+01 127.060 0.9961 
1 1 1 12 5  9  o 7  1.17368e+02 6.34513e+00 3.57488e+02 35.600  4.66259e+00  3.33813e+00  0.00000e+00 0.00000e+00 8.57939e+01 215.600 4.43282e+02 215.600 0.9080 
1 1 1 12 5  10 o 9  2.75070e+02 4.06589e+00 3.97901e+02 116.520 -8.79423e+00 1.76231e+01  0.00000e+00 0.00000e+00 2.84754e+02 116.520 1.13147e+02 296.520 0.9743 
1 1 1 12 5  11 o 15 4.87324e+02 4.34066e+00 6.35032e+02 172.882 -5.44992e+01 6.80534e+00  0.00000e+00 0.00000e+00 5.93853e+02 172.882 4.11790e+01 352.882 0.9909 
1 1 1 12 5  12 o 7  6.53447e+02 4.85700e+00 6.87798e+02 128.135 -4.85025e+01 6.17793e+01  0.00000e+00 0.00000e+00 9.62948e+02 128.135 2.75150e+02 128.135 0.9936 
1 1 1 12 5  13 f 0  1.78166e+02 3.95205e+00 3.08800e+02 350.107 8.99026e+00  -1.56791e+00 0.00000e+00 0.00000e+00 1.18129e+02 350.107 1.90670e+02 170.107 0.9435 
1 1 1 12 5  14 o 3  4.33087e+02 3.81531e+00 5.47842e+02 31.191  3.31235e+01  2.00531e+01  0.00000e+00 0.00000e+00 5.36514e+02 31.191  1.13279e+01 211.191 0.9870 
1 1 1 12 5  15 o 9  3.51968e+02 3.72294e+00 5.62983e+02 20.633  2.97461e+01  1.12001e+01  0.00000e+00 0.00000e+00 3.14616e+02 20.633  2.48367e+02 200.633 0.9841 
1 1 1 12 5  16 f 0  4.84889e+02 4.19684e+00 4.39176e+02 56.429  2.30121e+01  3.46740e+01  0.00000e+00 0.00000e+00 7.72859e+02 56.429  3.33684e+02 56.429  0.9879 
1 1 1 12 5  17 o 15 2.10560e+02 3.88013e+00 3.01824e+02 37.572  9.66257e+00  7.43378e+00  0.00000e+00 0.00000e+00 2.07868e+02 37.572  9.39563e+01 217.572 0.9581 
1 1 1 12 5  18 o 3  8.49657e+01 6.96033e+00 1.21548e+02 179.491 -2.19247e+00 1.94968e-02  0.00000e+00 0.00000e+00 3.42826e+01 179.491 8.72655e+01 359.490 0.7270 
1 1 1 12 5  19 o 1  4.04147e+02 3.71620e+00 4.80762e+02 307.341 2.47869e+01  -3.24895e+01 0.00000e+00 0.00000e+00 5.24655e+02 307.341 4.38937e+01 307.341 0.9877 
1 1 1 12 5  20 f 0  1.07490e+02 5.67066e+00 3.20776e+02 69.368  2.51042e+00  6.66738e+00  0.00000e+00 0.00000e+00 7.02482e+01 249.367 3.91024e+02 249.367 0.9269 
1 1 1 12 5  21 f 0  4.86157e+02 4.01049e+00 5.16100e+02 349.323 5.35580e+01  -1.00975e+01 0.00000e+00 0.00000e+00 6.92949e+02 349.323 1.76849e+02 349.323 0.9908 
1 1 1 12 5  22 o 17 3.80187e+02 3.95404e+00 3.63295e+02 315.278 2.08641e+01  -2.06626e+01 0.00000e+00 0.00000e+00 5.72875e+02 315.278 2.09580e+02 315.278 0.9828 
1 1 1 12 5  24 o 15 2.00524e+02 3.88447e+00 2.22961e+02 214.415 -8.93894e+00 -6.12413e+00 0.00000e+00 0.00000e+00 2.53768e+02 214.415 3.08078e+01 214.415 0.9527 
1 1 1 12 5  25 o 15 6.16460e+02 4.39795e+00 7.32128e+02 184.942 -1.06235e+02 -9.18605e+00 0.00000e+00 0.00000e+00 7.95792e+02 184.942 6.36649e+01 184.942 0.9953 
1 1 1 12 5  26 o 1  1.34476e+02 4.70152e+00 1.90648e+02 291.897 2.52249e+00  -6.27577e+00 0.00000e+00 0.00000e+00 1.17695e+02 291.897 7.29530e+01 111.897 0.9228 
1 1 1 12 5  27 o 1  1.87174e+02 5.09247e+00 8.30837e+01 122.655 -2.29415e+00 3.57968e+00  0.00000e+00 0.00000e+00 3.21797e+02 122.655 2.38714e+02 122.655 0.8725 
1 1 1 12 5  28 o 9  1.84814e+02 4.01002e+00 2.32700e+02 347.979 1.32462e+01  -2.82068e+00 0.00000e+00 0.00000e+00 2.07174e+02 347.979 2.55261e+01 167.979 0.9623 
1 1 1 12 5  29 f 0  3.02888e+02 3.50143e+00 2.73328e+02 77.856  6.32519e+00  2.93955e+01  0.00000e+00 0.00000e+00 4.61407e+02 77.856  1.88079e+02 77.856  0.9832 
1 1 1 12 5  30 o 12 3.21234e+02 3.62379e+00 2.91135e+02 72.233  1.01072e+01  3.15429e+01  0.00000e+00 0.00000e+00 4.87356e+02 72.233  1.96222e+02 72.233  0.9848 
1 1 1 12 5  31 o 10 2.90853e+02 3.67493e+00 3.05667e+02 118.782 -1.41708e+01 2.57956e+01  0.00000e+00 0.00000e+00 3.95971e+02 118.782 9.03037e+01 118.782 0.9829 
1 1 1 12 5  33 o 4  2.71304e+02 3.57518e+00 3.01043e+02 203.100 -3.01958e+01 -1.28795e+01 0.00000e+00 0.00000e+00 3.51016e+02 203.100 4.99732e+01 203.100 0.9846 
1 1 1 12 5  34 o 17 2.68336e+02 3.54964e+00 2.29262e+02 142.121 -2.20880e+01 1.71820e+01  0.00000e+00 0.00000e+00 4.12050e+02 142.121 1.82788e+02 142.121 0.9820 
1 1 1 12 5  35 o 10 2.99514e+02 3.53805e+00 3.51297e+02 76.638  1.08076e+01  4.54990e+01  0.00000e+00 0.00000e+00 3.67695e+02 76.638  1.63979e+01 76.638  0.9892 
1 1 1 12 5  36 o 7  1.35950e+02 4.75844e+00 1.59734e+02 185.877 -9.47583e+00 -9.75379e-01 0.00000e+00 0.00000e+00 1.51382e+02 185.877 8.35153e+00 5.877   0.9460 
1 1 1 12 5  37 o 4  6.35510e+01 9.10418e+00 8.57347e+01 33.067  2.13739e+00  1.39161e+00  0.00000e+00 0.00000e+00 3.23328e+01 33.067  5.34019e+01 213.067 0.7704 
1 1 1 12 5  38 f 0  1.72246e+02 4.05111e+00 2.22659e+02 322.651 1.57645e+01  -1.20306e+01 0.00000e+00 0.00000e+00 1.80808e+02 322.651 4.18508e+01 142.651 0.9745 
1 1 1 12 5  39 o 18 2.34805e+02 3.57575e+00 3.01463e+02 307.275 2.94815e+01  -3.87353e+01 0.00000e+00 0.00000e+00 2.55282e+02 307.275 4.61815e+01 127.275 0.9897 
1 1 1 12 5  40 o 7  1.67461e+02 4.46381e+00 1.66458e+02 40.960  1.47689e+01  1.28204e+01  0.00000e+00 0.00000e+00 2.23025e+02 40.960  5.65670e+01 40.960  0.9741 
1 1 1 12 5  41 o 7  5.40662e+01 9.98701e+00 8.07982e+01 180.936 -2.86318e+00 -4.67807e-02 0.00000e+00 0.00000e+00 2.20345e+01 180.936 5.87637e+01 0.936   0.7994 
1 1 1 12 5  42 o 4  1.85403e+02 4.11830e+00 2.12640e+02 340.301 2.60356e+01  -9.32150e+00 0.00000e+00 0.00000e+00 2.18899e+02 340.301 6.25901e+00 340.301 0.9817 
1 1 1 12 5  43 o 4  4.01794e+01 9.99426e+00 3.25321e+01 333.771 8.06555e-01  -3.97388e-01 0.00000e+00 0.00000e+00 6.33489e+00 333.771 2.61972e+01 153.771 0.4095 
1 1 1 12 5  44 o 7  4.17350e+01 1.01996e+01 3.86624e+01 352.449 1.34774e+00  -1.78666e-01 0.00000e+00 0.00000e+00 1.62836e+01 352.449 2.23788e+01 172.449 0.5594 
1 1 1 12 5  45 o 17 1.79835e+02 4.61089e+00 1.93573e+02 218.088 -2.20642e+01 -1.72931e+01 0.00000e+00 0.00000e+00 2.20426e+02 218.088 2.68534e+01 218.088 0.9820 
1 1 1 12 5  46 o 3  9.36775e+01 6.50283e+00 6.35952e+01 310.190 3.91045e+00  -4.62908e+00 0.00000e+00 0.00000e+00 1.36182e+02 310.190 7.25870e+01 310.190 0.9133 
1 1 1 12 5  47 o 11 1.02410e+02 6.01460e+00 7.92982e+01 252.823 -2.31208e+00 -7.47957e+00 0.00000e+00 0.00000e+00 1.43107e+02 252.823 6.38089e+01 252.823 0.9338 
1 1 1 12 5  48 o 2  6.73391e+01 9.68397e+00 8.77252e+01 115.454 -2.65436e+00 5.57659e+00  0.00000e+00 0.00000e+00 5.49934e+01 115.454 3.27318e+01 295.454 0.9150 
1 1 1 12 5  50 o 13 8.25845e+01 9.08468e+00 9.04144e+01 270.499 8.16431e-02  -9.38072e+00 0.00000e+00 0.00000e+00 8.88480e+01 270.499 1.56641e+00 90.499  0.9451 
1 1 1 12 5  51 o 15 8.45680e+01 8.49455e+00 8.00597e+01 230.934 -5.28810e+00 -6.51482e+00 0.00000e+00 0.00000e+00 1.01410e+02 230.934 2.13499e+01 230.934 0.9384 
1 1 1 12 5  52 f 0  7.93049e+01 7.98142e+00 9.36946e+01 300.989 5.01656e+00  -8.35259e+00 0.00000e+00 0.00000e+00 7.73210e+01 300.989 1.63736e+01 120.989 0.9472 
1 1 1 12 5  53 o 5  6.62624e+01 9.88144e+00 9.39049e+01 68.287  3.31544e+00  8.32588e+00  0.00000e+00 0.00000e+00 4.76240e+01 68.287  4.62809e+01 248.287 0.9424 
1 1 1 12 5  54 o 6  8.00800e+01 8.59382e+00 9.91829e+01 193.427 -1.14778e+01 -2.74004e+00 0.00000e+00 0.00000e+00 7.36374e+01 193.427 2.55455e+01 13.427  0.9566 
1 1 1 12 5  55 o 11 4.82750e+01 1.21681e+01 1.54064e+01 253.286 -3.11037e-01 -1.03582e+00 0.00000e+00 0.00000e+00 3.60293e+01 253.286 2.06230e+01 253.286 0.4745 
1 1 1 12 5  56 f 0  8.83458e+01 1.03361e+01 7.91590e+01 194.118 -1.04385e+01 -2.62554e+00 0.00000e+00 0.00000e+00 1.08851e+02 194.118 2.96924e+01 194.118 0.9523 
1 1 1 12 5  57 o 16 3.04117e+01 9.85569e+00 2.91423e+01 246.264 -5.99169e-01 -1.36261e+00 0.00000e+00 0.00000e+00 1.09800e+01 246.264 1.81623e+01 66.264  0.5933 
1 1 1 12 5  58 o 5  7.71775e+01 1.04057e+01 6.09780e+01 43.645  6.26958e+00  5.97986e+00  0.00000e+00 0.00000e+00 9.96145e+01 43.645  3.86366e+01 43.645  0.9404 
1 1 1 12 5  59 f 0  3.70325e+01 1.06111e+01 3.26012e+01 358.573 2.33169e+00  -5.80714e-02 0.00000e+00 0.00000e+00 2.81772e+01 358.573 4.42401e+00 178.573 0.7455 
1 1 1 12 5  60 o 15 6.17976e+01 1.11188e+01 9.27732e+01 249.874 -4.14507e+00 -1.13109e+01 0.00000e+00 0.00000e+00 3.68372e+01 249.874 5.59360e+01 69.874  0.9575 
1 1 1 12 5  61 o 1  4.25840e+01 1.08725e+01 4.34212e+01 349.986 3.76008e+00  -6.63951e-01 0.00000e+00 0.00000e+00 3.60184e+01 349.986 7.40285e+00 169.986 0.8562 
1 1 1 12 6  0  o 4  6.38065e+02 7.28874e+00 7.21702e+02 180.000 -3.18533e+01 0.00000e+00  0.00000e+00 0.00000e+00 9.13211e+02 180.000 1.91509e+02 180.000 1.0000 
1 1 1 12 6  1  o 17 4.70491e+02 4.49422e+00 5.90261e+02 94.994  -3.34633e+00 3.82940e+01  0.00000e+00 0.00000e+00 5.99441e+02 94.994  9.18095e+00 94.994  0.9869 
1 1 1 12 6  2  o 1  9.36179e+02 7.05874e+00 1.03039e+03 278.861 2.04226e+01  -1.31000e+02 0.00000e+00 0.00000e+00 1.35891e+03 278.861 3.28520e+02 278.861 0.9962 
1 1 1 12 6  3  o 19 4.53149e+02 4.58024e+00 5.01080e+02 291.292 1.13559e+01  -2.91385e+01 0.00000e+00 0.00000e+00 6.40861e+02 291.292 1.39782e+02 291.292 0.9839 
1 1 1 12 6  4  o 10 2.94264e+02 3.97937e+00 6.44327e+02 8.886   2.57150e+01  4.02040e+00  0.00000e+00 0.00000e+00 9.45250e+01 8.886   5.49802e+02 188.886 0.9806 
1 1 1 12 6  5  o 18 3.38128e+02 3.99806e+00 5.79302e+02 15.745  3.41426e+01  9.62598e+00  0.00000e+00 0.00000e+00 2.73862e+02 15.745  3.05441e+02 195.745 0.9858 
1 1 1 12 6  6  f 0  2.39485e+02 4.11132e+00 2.97889e+02 108.189 -4.00394e+00 1.21857e+01  0.00000e+00 0.00000e+00 2.90400e+02 108.189 7.48938e+00 288.189 0.9602 
1 1 1 12 6  7  o 12 9.60966e+01 6.47821e+00 5.18980e+01 154.181 -7.96012e-01 3.85138e-01  0.00000e+00 0.00000e+00 4.73416e+01 154.181 4.55634e+00 334.181 0.4039 
1 1 1 12 6  8  o 7  7.83769e+01 7.67834e+00 1.17874e+02 66.519  6.44165e-01  1.48284e+00  0.00000e+00 0.00000e+00 7.03339e+00 66.519  1.10840e+02 246.519 0.6237 
1 1 1 12 6  9  o 19 1.19921e+02 5.25414e+00 2.03658e+02 203.632 -3.90196e+00 -1.70732e+00 0.00000e+00 0.00000e+00 6.35926e+01 203.632 1.40066e+02 23.632  0.8728 
1 1 1 12 6  10 o 4  2.41970e+02 3.84981e+00 2.47371e+02 14.275  9.64773e+00  2.45477e+00  0.00000e+00 0.00000e+00 3.38082e+02 14.275  9.07119e+01 14.275  0.9484 
1 1 1 12 6  11 o 7  2.41844e+02 3.85798e+00 4.14658e+02 304.332 9.28673e+00  -1.35974e+01 0.00000e+00 0.00000e+00 1.82771e+02 304.332 2.31888e+02 124.332 0.9691 
1 1 1 12 6  12 o 15 4.25137e+02 4.36785e+00 4.73259e+02 310.855 2.12950e+01  -2.46230e+01 0.00000e+00 0.00000e+00 5.92564e+02 310.855 1.19306e+02 310.855 0.9845 
1 1 1 12 6  13 o 4  1.12894e+02 5.98535e+00 2.37648e+02 23.425  4.85249e+00  2.10240e+00  0.00000e+00 0.00000e+00 2.07062e+01 23.425  2.16942e+02 203.425 0.8997 
1 1 1 12 6  14 o 2  2.32771e+02 3.93417e+00 1.57117e+02 101.791 -1.45735e+00 6.98133e+00  0.00000e+00 0.00000e+00 3.91102e+02 101.791 2.33985e+02 101.791 0.9270 
1 1 1 12 6  15 o 1  2.75561e+02 4.18163e+00 3.20714e+02 99.802  -2.88369e+00 1.66921e+01  0.00000e+00 0.00000e+00 3.57572e+02 99.802  3.68584e+01 99.802  0.9700 
1 1 1 12 6  16 o 4  2.79118e+02 3.87556e+00 3.94984e+02 156.037 -2.16327e+01 9.61483e+00  0.00000e+00 0.00000e+00 2.97241e+02 156.037 9.77433e+01 336.037 0.9786 
1 1 1 12 6  17 o 8  7.66035e+01 8.55398e+00 9.40306e+01 100.133 -2.63528e-01 1.47452e+00  0.00000e+00 0.00000e+00 2.14279e+01 100.133 7.26028e+01 280.133 0.5956 
1 1 1 12 6  18 o 7  4.97760e+02 4.10314e+00 5.42728e+02 225.681 -3.94102e+01 -4.03585e+01 0.00000e+00 0.00000e+00 7.03781e+02 225.681 1.61053e+02 225.681 0.9911 
1 1 1 12 6  19 o 4  2.68848e+02 3.51313e+00 3.60845e+02 229.238 -1.38900e+01 -1.61136e+01 0.00000e+00 0.00000e+00 3.01241e+02 229.238 5.96033e+01 49.238  0.9762 
1 1 1 12 6  20 o 4  1.57654e+02 4.18472e+00 2.75376e+02 290.755 3.30327e+00  -8.71651e+00 0.00000e+00 0.00000e+00 9.97254e+01 290.755 1.75651e+02 110.755 0.9447 
1 1 1 12 6  21 o 8  2.57498e+02 3.63085e+00 4.24899e+02 346.406 2.49155e+01  -6.02497e+00 0.00000e+00 0.00000e+00 2.09699e+02 346.406 2.15200e+02 166.406 0.9803 
1 1 1 12 6  22 o 15 3.26225e+02 3.58197e+00 2.99106e+02 309.514 1.42505e+01  -1.72785e+01 0.00000e+00 0.00000e+00 5.01020e+02 309.514 2.01913e+02 309.514 0.9774 
1 1 1 12 6  23 f 0  1.76228e+02 4.15232e+00 2.12822e+02 237.820 -4.79918e+00 -7.62689e+00 0.00000e+00 0.00000e+00 2.03277e+02 237.820 9.54484e+00 57.820  0.9428 
1 1 1 12 6  24 o 5  1.80759e+02 4.02762e+00 2.86179e+02 131.693 -9.25651e+00 1.03919e+01  0.00000e+00 0.00000e+00 1.49065e+02 131.693 1.37114e+02 311.693 0.9634 
1 1 1 12 6  25 o 3  3.37963e+02 3.81099e+00 3.94869e+02 101.755 -7.15177e+00 3.43684e+01  0.00000e+00 0.00000e+00 4.35963e+02 101.755 4.10936e+01 101.755 0.9857 
1 1 1 12 6  27 o 18 3.01416e+02 3.55613e+00 3.09799e+02 98.617  -4.39834e+00 2.90243e+01  0.00000e+00 0.00000e+00 4.25749e+02 98.617  1.15950e+02 98.617  0.9828 
1 1 1 12 6  28 o 17 1.76421e+02 4.26911e+00 2.48311e+02 34.829  1.30006e+01  9.04534e+00  0.00000e+00 0.00000e+00 1.74670e+02 34.829  7.36415e+01 214.829 0.9679 
1 1 1 12 6  29 o 2  3.94906e+02 3.93631e+00 4.56436e+02 225.350 -4.29460e+01 -4.34738e+01 0.00000e+00 0.00000e+00 5.11361e+02 225.350 5.49243e+01 225.350 0.9918 
1 1 1 12 6  30 o 2  2.10278e+02 1.02748e+01 2.89086e+02 240.128 -1.11720e+01 -1.94504e+01 0.00000e+00 0.00000e+00 2.17505e+02 240.128 7.15808e+01 60.128  0.9774 
1 1 1 12 6  31 o 7  1.41057e+02 1.06715e+01 1.54832e+02 30.806  6.74072e+00  4.01929e+00  0.00000e+00 0.00000e+00 1.69012e+02 30.806  1.41799e+01 30.806  0.9339 
1 1 1 12 6  32 o 11 1.36650e+02 4.80730e+00 1.75156e+02 228.663 -6.33273e+00 -7.19915e+00 0.00000e+00 0.00000e+00 1.41868e+02 228.663 3.32877e+01 48.663  0.9463 
1 1 1 12 6  33 o 17 1.71637e+02 4.10555e+00 1.66577e+02 30.099  1.12550e+01  6.52401e+00  0.00000e+00 0.00000e+00 2.36562e+02 30.099  6.99845e+01 30.099  0.9608 
1 1 1 12 6  34 o 10 8.71513e+01 6.84897e+00 9.93895e+01 63.713  1.67925e+00  3.39967e+00  0.00000e+00 0.00000e+00 8.22531e+01 63.713  1.71364e+01 243.713 0.8550 
1 1 1 12 6  35 o 2  2.45712e+02 3.74795e+00 2.70088e+02 239.645 -1.48392e+01 -2.53383e+01 0.00000e+00 0.00000e+00 3.16835e+02 239.645 4.67469e+01 239.645 0.9828 
1 1 1 12 6  36 o 18 2.09178e+02 3.72733e+00 3.11640e+02 27.947  2.81833e+01  1.49517e+01  0.00000e+00 0.00000e+00 1.87186e+02 27.947  1.24454e+02 207.947 0.9842 
1 1 1 12 6  37 o 8  1.99568e+02 3.80655e+00 2.24475e+02 201.554 -2.31257e+01 -9.13446e+00 0.00000e+00 0.00000e+00 2.47760e+02 201.554 2.32850e+01 201.554 0.9797 
1 1 1 12 6  38 o 3  2.90915e+02 3.51210e+00 2.87668e+02 278.141 8.20233e+00  -5.73372e+01 0.00000e+00 0.00000e+00 4.06655e+02 278.141 1.18987e+02 278.141 0.9913 
1 1 1 12 6  39 o 2  1.91944e+02 3.72930e+00 2.50084e+02 29.866  2.95494e+01  1.69685e+01  0.00000e+00 0.00000e+00 2.03691e+02 29.866  4.63923e+01 209.866 0.9852 
1 1 1 12 6  40 o 3  1.14782e+02 5.45788e+00 1.55795e+02 138.474 -9.34785e+00 8.27785e+00  0.00000e+00 0.00000e+00 1.07465e+02 138.474 4.83306e+01 318.474 0.9591 
1 1 1 12 6  41 o 6  1.84461e+02 4.12663e+00 1.79021e+02 345.095 2.25566e+01  -6.00413e+00 0.00000e+00 0.00000e+00 2.51042e+02 345.095 7.20209e+01 345.095 0.9783 
1 1 1 12 6  42 o 9  1.55122e+02 4.45687e+00 1.87839e+02 122.104 -1.17833e+01 1.87811e+01  0.00000e+00 0.00000e+00 1.72102e+02 122.104 1.57368e+01 302.104 0.9772 
1 1 1 12 6  43 f 0  1.20861e+02 5.12001e+00 1.36727e+02 268.446 -4.12602e-01 -1.52100e+01 0.00000e+00 0.00000e+00 1.39651e+02 268.446 2.92355e+00 268.446 0.9666 
1 1 1 12 6  44 o 14 1.50144e+02 5.28296e+00 1.82751e+02 269.500 -1.93196e-01 -2.21601e+01 0.00000e+00 0.00000e+00 1.63059e+02 269.500 1.96922e+01 89.500  0.9772 
1 1 1 12 6  45 f 0  4.29078e+01 1.02014e+01 9.75748e+01 328.426 3.26109e+00  -2.00421e+00 0.00000e+00 0.00000e+00 1.12801e+01 148.426 1.08855e+02 148.426 0.8566 
1 1 1 12 6  46 o 5  2.82122e+01 8.88967e+00 4.49370e+01 68.718  4.27156e-01  1.09661e+00  0.00000e+00 0.00000e+00 1.15791e+01 248.718 5.65161e+01 248.718 0.5056 
1 1 1 12 6  47 o 18 3.82986e+01 1.10646e+01 7.27739e+01 64.400  1.22715e+00  2.56123e+00  0.00000e+00 0.00000e+00 1.63309e+00 244.400 7.44070e+01 244.400 0.7974 
1 1 1 12 6  49 o 14 3.58600e+01 9.91877e+00 2.30584e+01 145.932 -8.49134e-01 5.74207e-01  0.00000e+00 0.00000e+00 1.46519e+01 145.932 8.40654e+00 325.932 0.4552 
1 1 1 12 6  50 o 16 6.10957e+01 1.24382e+01 1.06856e+02 33.281  6.30919e+00  4.14134e+00  0.00000e+00 0.00000e+00 2.40129e+01 33.281  8.28430e+01 213.281 0.9312 
1 1 1 12 6  51 o 17 4.40884e+01 9.91620e+00 5.14395e+01 23.878  2.61129e+00  1.15597e+00  0.00000e+00 0.00000e+00 2.92140e+01 23.878  2.22254e+01 203.878 0.7987 
1 1 1 12 6  52 o 3  1.66973e+02 4.63472e+00 1.96537e+02 348.633 4.66859e+01  -9.38569e+00 0.00000e+00 0.00000e+00 1.80174e+02 348.633 1.63633e+01 168.633 0.9894 
1 1 1 12 6  53 o 14 1.05913e+02 5.93160e+00 1.41584e+02 68.106  8.99116e+00  2.23727e+01  0.00000e+00 0.00000e+00 9.37866e+01 68.106  4.77976e+01 248.106 0.9790 
1 1 1 12 6  54 o 11 7.99672e+01 7.85302e+00 9.33931e+01 282.216 2.33589e+00  -1.07894e+01 0.00000e+00 0.00000e+00 7.88993e+01 282.216 1.44937e+01 102.216 0.9536 
1 1 1 12 6  55 o 8  7.71752e+01 7.45490e+00 1.21197e+02 63.391  7.07118e+00  1.41150e+01  0.00000e+00 0.00000e+00 4.67678e+01 63.391  7.44291e+01 243.391 0.9678 
1 1 1 12 6  56 f 0  2.77097e+01 8.86456e+00 6.44155e+01 127.288 -1.90207e+00 2.49787e+00  0.00000e+00 0.00000e+00 1.35741e+01 307.288 7.79896e+01 307.288 0.8198 
1 1 1 12 6  57 o 8  6.41832e+01 8.73156e+00 7.90517e+01 283.175 2.17954e+00  -9.31079e+00 0.00000e+00 0.00000e+00 5.62032e+01 283.175 2.28485e+01 103.175 0.9462 
1 1 1 12 6  58 o 13 4.45479e+01 1.00505e+01 4.38392e+01 307.059 2.34617e+00  -3.10676e+00 0.00000e+00 0.00000e+00 4.09950e+01 307.059 2.84417e+00 127.059 0.8593 
1 1 1 12 6  59 o 6  2.76598e+01 8.65343e+00 1.05305e+01 184.683 -6.64301e-01 -5.44166e-02 0.00000e+00 0.00000e+00 8.74442e+00 184.683 1.78605e+00 4.683   0.3160 
1 1 1 12 6  60 o 2  3.23655e+01 1.01786e+01 1.29791e+01 231.518 -5.63655e-01 -7.09064e-01 0.00000e+00 0.00000e+00 1.62749e+01 231.518 3.29585e+00 231.518 0.4120 
1 1 1 12 7  0  o 2  3.69651e+02 8.69273e+00 5.34120e+02 0.000   1.72213e+01  0.00000e+00  0.00000e+00 0.00000e+00 4.14788e+02 0.000   1.19332e+02 180.000 1.0000 
1 1 1 12 7  1  o 7  7.21111e+02 5.68241e+00 8.29889e+02 290.283 3.62118e+01  -9.79840e+01 0.00000e+00 0.00000e+00 1.01227e+03 290.283 1.82380e+02 290.283 0.9952 
1 1 1 12 7  2  o 1  3.47124e+02 3.84271e+00 2.27636e+02 223.272 -1.00638e+01 -9.47453e+00 0.00000e+00 0.00000e+00 6.30431e+02 223.272 4.02795e+02 223.272 0.9631 
1 1 1 12 7  3  o 6  2.72403e+02 3.65879e+00 2.16054e+02 118.638 -4.73415e+00 8.66939e+00  0.00000e+00 0.00000e+00 4.46556e+02 118.638 2.30502e+02 118.638 0.9479 
1 1 1 12 7  4  o 18 1.56339e+02 4.75512e+00 8.74545e+01 86.627  1.34175e-01  2.27641e+00  0.00000e+00 0.00000e+00 2.08858e+02 86.627  1.21403e+02 86.627  0.7388 
1 1 1 12 7  5  o 1  8.03283e+02 5.71110e+00 7.95928e+02 149.074 -9.07799e+01 5.43858e+01  0.00000e+00 0.00000e+00 1.25415e+03 149.074 4.58224e+02 149.074 0.9953 
1 1 1 12 7  6  o 10 1.95530e+02 4.31636e+00 2.67213e+02 31.400  7.35412e+00  4.48898e+00  0.00000e+00 0.00000e+00 2.03892e+02 31.400  6.33210e+01 211.400 0.9400 
1 1 1 12 7  7  f 0  5.17635e+01 1.06824e+01 5.63933e+01 91.461  -1.19361e-02 4.68094e-01  0.00000e+00 0.00000e+00 2.61698e+01 271.461 8.25631e+01 271.461 0.2279 
1 1 1 12 7  8  f 0  1.79400e+02 3.93155e+00 8.52958e+01 336.638 2.27942e+00  -9.84577e-01 0.00000e+00 0.00000e+00 2.65178e+02 336.638 1.79882e+02 336.638 0.7631 
1 1 1 12 7  9  f 0  3.33249e+02 3.42270e+00 5.33340e+02 177.457 -3.54554e+01 1.57480e+00  0.00000e+00 0.00000e+00 3.07043e+02 177.457 2.26296e+02 357.457 0.9858 
1 1 1 12 7  10 o 4  1.67097e+02 4.80348e+00 9.85657e+01 306.513 1.92950e+00  -2.60628e+00 0.00000e+00 0.00000e+00 2.54408e+02 306.513 1.55842e+02 306.513 0.8264 
1 1 1 12 7  11 o 14 3.04436e+02 3.59990e+00 3.93122e+02 213.287 -1.95080e+01 -1.28078e+01 0.00000e+00 0.00000e+00 3.67465e+02 213.287 2.56569e+01 33.287  0.9783 
1 1 1 12 7  12 o 11 2.52156e+02 3.65508e+00 1.62157e+02 261.771 -1.28133e+00 -8.86016e+00 0.00000e+00 0.00000e+00 4.44058e+02 261.771 2.81901e+02 261.771 0.9424 
1 1 1 12 7  13 o 11 5.53269e+02 4.96205e+00 6.77977e+02 12.679  7.88586e+01  1.77410e+01  0.00000e+00 0.00000e+00 7.23222e+02 12.679  4.52451e+01 12.679  0.9938 
1 1 1 12 7  14 f 0  2.77765e+02 3.72679e+00 2.01127e+02 328.032 1.01039e+01  -6.30581e+00 0.00000e+00 0.00000e+00 4.75538e+02 328.032 2.74411e+02 328.032 0.9571 
1 1 1 12 7  15 o 5  4.34571e+02 4.15370e+00 5.62472e+02 248.380 -1.90438e+01 -4.80507e+01 0.00000e+00 0.00000e+00 5.31573e+02 248.380 3.08993e+01 68.380  0.9903 
1 1 1 12 7  16 o 10 3.95182e+01 1.03351e+01 1.81498e+02 143.399 -1.16972e+00 8.68745e-01  0.00000e+00 0.00000e+00 1.22771e+02 323.399 3.04269e+02 323.399 0.5853 
1 1 1 12 7  17 o 14 2.57581e+02 3.53234e+00 3.24570e+02 301.484 9.56072e+00  -1.56112e+01 0.00000e+00 0.00000e+00 3.10364e+02 301.484 1.42061e+01 121.484 0.9723 
1 1 1 12 7  18 o 10 4.55151e+02 3.88198e+00 4.63541e+02 114.495 -1.88071e+01 4.12771e+01  0.00000e+00 0.00000e+00 6.75860e+02 114.495 2.12319e+02 114.495 0.9889 
1 1 1 12 7  19 o 8  5.57242e+01 1.15262e+01 1.63520e+02 331.565 1.81787e+00  -9.84367e-01 0.00000e+00 0.00000e+00 6.37348e+01 151.565 2.27255e+02 151.565 0.7085 
1 1 1 12 7  20 f 0  2.23900e+02 3.94559e+00 1.28235e+02 143.926 -5.34751e+00 3.89577e+00  0.00000e+00 0.00000e+00 3.92052e+02 143.926 2.63818e+02 143.926 0.9210 
1 1 1 12 7  21 o 8  3.69862e+02 3.97606e+00 4.51684e+02 112.509 -1.54754e+01 3.73439e+01  0.00000e+00 0.00000e+00 4.68278e+02 112.509 1.65941e+01 112.509 0.9876 
1 1 1 12 7  22 o 17 5.40502e+02 4.61521e+00 6.44420e+02 166.278 -9.16474e+01 2.23793e+01  0.00000e+00 0.00000e+00 7.07178e+02 166.278 6.27580e+01 166.278 0.9947 
1 1 1 12 7  23 o 12 1.56747e+02 4.66535e+00 2.14493e+02 123.103 -4.86847e+00 7.46729e+00  0.00000e+00 0.00000e+00 1.56039e+02 123.103 5.84537e+01 303.103 0.9421 
1 1 1 12 7  25 o 10 1.55568e+02 4.93217e+00 1.53361e+02 163.008 -7.23705e+00 2.21151e+00  0.00000e+00 0.00000e+00 2.08687e+02 163.008 5.53256e+01 163.008 0.9314 
1 1 1 12 7  26 o 5  1.49879e+02 5.55083e+00 1.07047e+02 351.636 4.91203e+00  -7.22162e-01 0.00000e+00 0.00000e+00 2.26492e+02 351.636 1.19445e+02 351.636 0.8926 
1 1 1 12 7  27 o 3  2.56198e+02 3.65820e+00 3.02025e+02 177.197 -2.77954e+01 1.36087e+00  0.00000e+00 0.00000e+00 3.23727e+02 177.197 2.17013e+01 177.197 0.9819 
1 1 1 12 7  28 o 14 3.87923e+02 3.72441e+00 4.18928e+02 217.316 -4.35576e+01 -3.32014e+01 0.00000e+00 0.00000e+00 5.34940e+02 217.316 1.16012e+02 217.316 0.9908 
1 1 1 12 7  30 o 15 9.12365e+01 6.96780e+00 5.65623e+01 205.918 -1.87331e+00 -9.10345e-01 0.00000e+00 0.00000e+00 1.03598e+02 205.918 4.70362e+01 205.918 0.7109 
1 1 1 12 7  31 o 7  8.49430e+01 7.20158e+00 4.48185e+01 233.491 -1.03136e+00 -1.39337e+00 0.00000e+00 0.00000e+00 9.09077e+01 233.491 4.60892e+01 233.491 0.6488 
1 1 1 12 7  32 o 10 1.48371e+02 4.57792e+00 1.57199e+02 104.416 -2.63677e+00 1.02573e+01  0.00000e+00 0.00000e+00 1.89562e+02 104.416 3.23632e+01 104.416 0.9515 
1 1 1 12 7  33 o 8  1.34818e+02 4.89044e+00 7.72696e+01 122.112 -2.49624e+00 3.97754e+00  0.00000e+00 0.00000e+00 2.15230e+02 122.112 1.37960e+02 122.112 0.8858 
1 1 1 12 7  34 o 8  2.29852e+02 3.66913e+00 2.45348e+02 25.700  2.54890e+01  1.22671e+01  0.00000e+00 0.00000e+00 3.05977e+02 25.700  6.06291e+01 25.700  0.9822 
1 1 1 12 7  35 o 12 2.24598e+02 4.32139e+00 2.81652e+02 165.889 -3.48165e+01 8.75232e+00  0.00000e+00 0.00000e+00 2.57551e+02 165.889 2.41014e+01 345.889 0.9860 
1 1 1 12 7  36 o 19 1.04711e+02 5.92202e+00 6.96204e+01 50.264  2.39704e+00  2.88354e+00  0.00000e+00 0.00000e+00 1.47238e+02 50.264  7.76173e+01 50.264  0.8532 
1 1 1 12 7  37 o 19 3.93425e+01 9.28147e+00 7.11645e+01 138.562 -1.37072e+00 1.21005e+00  0.00000e+00 0.00000e+00 7.61844e+00 318.562 7.87829e+01 318.562 0.6675 
1 1 1 12 7  38 o 16 2.48960e+02 3.92677e+00 3.28192e+02 153.847 -5.21319e+01 2.55991e+01  0.00000e+00 0.00000e+00 2.67111e+02 153.847 6.10807e+01 333.847 0.9914 
1 1 1 12 7  39 o 2  2.47623e+02 3.82556e+00 2.40688e+02 73.087  1.23023e+01  4.04600e+01  0.00000e+00 0.00000e+00 3.47521e+02 73.087  1.06833e+02 73.087  0.9881 
1 1 1 12 7  40 f 0  2.82536e+01 8.75997e+00 1.77786e+01 185.155 -3.37879e-01 -3.04796e-02 0.00000e+00 0.00000e+00 6.45854e+00 5.155   2.42371e+01 5.155   0.1672 
1 1 1 12 7  41 f 0  1.48101e+02 4.73408e+00 1.61011e+02 53.201  1.08928e+01  1.45614e+01  0.00000e+00 0.00000e+00 1.82714e+02 53.201  2.17033e+01 53.201  0.9721 
1 1 1 12 7  42 o 1  6.28029e+01 8.41442e+00 8.23345e+01 66.357  1.82927e+00  4.17841e+00  0.00000e+00 0.00000e+00 4.94564e+01 66.357  3.28781e+01 246.357 0.8821 
1 1 1 12 7  43 o 5  6.04440e+01 8.47613e+00 1.27606e+02 241.503 -2.86763e+00 -5.28214e+00 0.00000e+00 0.00000e+00 3.12779e+00 241.503 1.24478e+02 61.503  0.9125 
1 1 1 12 7  44 o 6  1.24407e+02 5.43366e+00 7.20882e+01 249.432 -3.15012e+00 -8.39491e+00 0.00000e+00 0.00000e+00 2.04780e+02 249.432 1.32691e+02 249.432 0.9425 
1 1 1 12 7  45 o 7  1.10360e+02 5.92434e+00 5.89478e+01 181.452 -6.38099e+00 -1.61759e-01 0.00000e+00 0.00000e+00 1.79347e+02 181.452 1.20399e+02 181.452 0.9179 
1 1 1 12 7  46 o 11 7.07519e+01 9.04280e+00 9.61642e+01 39.339  5.66854e+00  4.64614e+00  0.00000e+00 0.00000e+00 5.78503e+01 39.339  3.83138e+01 219.339 0.9290 
1 1 1 12 7  47 f 0  5.38097e+01 1.36168e+01 5.78766e+01 252.196 -9.48922e-01 -2.95490e+00 0.00000e+00 0.00000e+00 4.47643e+01 252.196 1.31122e+01 72.196  0.8174 
1 1 1 12 7  48 o 2  8.96638e+01 7.69082e+00 6.79217e+01 201.296 -7.50699e+00 -2.92627e+00 0.00000e+00 0.00000e+00 1.27076e+02 201.296 5.91539e+01 201.296 0.9357 
1 1 1 12 7  49 o 1  5.09004e+01 1.10232e+01 8.61902e+01 286.516 1.51809e+00  -5.11958e+00 0.00000e+00 0.00000e+00 1.99202e+01 286.516 6.62699e+01 106.516 0.9007 
1 1 1 12 7  50 o 12 4.47257e+01 1.03802e+01 7.84289e+01 308.949 2.75882e+00  -3.41310e+00 0.00000e+00 0.00000e+00 1.19644e+01 308.949 6.64645e+01 128.949 0.8770 
1 1 1 12 7  51 o 7  9.42096e+01 6.17770e+00 9.32002e+01 38.894  9.73718e+00  7.85511e+00  0.00000e+00 0.00000e+00 1.14144e+02 38.894  2.09436e+01 38.894  0.9592 
1 1 1 12 7  52 o 14 1.28057e+02 5.21626e+00 1.46673e+02 61.085  1.49602e+01  2.70831e+01  0.00000e+00 0.00000e+00 1.41095e+02 61.085  5.57857e+00 241.085 0.9837 
1 1 1 12 7  53 o 18 4.40267e+01 1.05867e+01 5.89000e+01 96.400  -3.97166e-01 3.54098e+00  0.00000e+00 0.00000e+00 2.56355e+01 96.400  3.32645e+01 276.400 0.8443 
1 1 1 12 7  54 o 11 6.44345e+01 9.27840e+00 4.22212e+01 273.855 2.94310e-01  -4.36716e+00 0.00000e+00 0.00000e+00 8.56357e+01 273.855 4.34145e+01 273.855 0.8766 
1 1 1 12 7  55 o 4  9.29018e+01 6.53840e+00 7.07390e+01 336.502 1.04076e+01  -4.52494e+00 0.00000e+00 0.00000e+00 1.29123e+02 336.502 5.83839e+01 336.502 0.9549 
1 1 1 12 7  56 o 15 2.93890e+01 9.16762e+00 3.68078e+01 19.202  1.91071e+00  6.65458e-01  0.00000e+00 0.00000e+00 9.42308e+00 19.202  2.73847e+01 199.202 0.7016 
1 1 1 12 7  57 o 6  4.49062e+01 1.05895e+01 5.75188e+01 90.348  -3.07238e-02 5.06353e+00  0.00000e+00 0.00000e+00 3.21445e+01 90.348  2.53743e+01 270.348 0.8948 
1 1 1 12 7  58 o 18 6.15643e+01 9.40234e+00 3.24102e+01 126.604 -2.42109e+00 3.25957e+00  0.00000e+00 0.00000e+00 8.59371e+01 126.604 5.35268e+01 126.604 0.8658 
1 1 1 12 7  59 o 16 2.22253e+01 7.71247e+00 3.46552e+01 106.660 -5.44359e-01 1.81905e+00  0.00000e+00 0.00000e+00 1.24751e+00 286.660 3.59028e+01 286.660 0.6804 
1 1 1 12 7  60 o 13 3.38557e+01 9.54685e+00 1.78812e+01 153.874 -1.33992e+00 6.57163e-01  0.00000e+00 0.00000e+00 2.63357e+01 153.874 8.45443e+00 153.874 0.5942 
1 1 1 12 8  0  o 5  1.82363e+02 5.48787e+00 3.29913e+02 180.000 -5.97659e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.39213e+02 180.000 1.90700e+02 0.000   1.0000 
1 1 1 12 8  1  o 1  4.48761e+02 3.83703e+00 6.13724e+02 232.444 -3.33362e+01 -4.33569e+01 0.00000e+00 0.00000e+00 5.30068e+02 232.444 8.36566e+01 52.444  0.9908 
1 1 1 12 8  2  o 5  2.29030e+02 3.53542e+00 2.86809e+02 213.167 -1.09060e+01 -7.12775e+00 0.00000e+00 0.00000e+00 2.79195e+02 213.167 7.61464e+00 33.167  0.9608 
1 1 1 12 8  3  o 1  1.54319e+02 4.63199e+00 1.87662e+02 191.679 -5.59583e+00 -1.15668e+00 0.00000e+00 0.00000e+00 1.72535e+02 191.679 1.51270e+01 11.679  0.9077 
1 1 1 12 8  4  o 6  2.59865e+02 3.63404e+00 1.98253e+02 100.367 -1.82571e+00 9.97962e+00  0.00000e+00 0.00000e+00 4.35963e+02 100.367 2.37709e+02 100.367 0.9494 
1 1 1 12 8  5  o 2  3.75760e+02 3.57935e+00 4.71551e+02 66.448  1.38715e+01  3.18225e+01  0.00000e+00 0.00000e+00 4.80047e+02 66.448  8.49615e+00 66.448  0.9855 
1 1 1 12 8  6  o 14 3.13255e+02 3.64260e+00 3.75358e+02 218.317 -1.79578e+01 -1.41911e+01 0.00000e+00 0.00000e+00 4.11468e+02 218.317 3.61093e+01 218.317 0.9779 
1 1 1 12 8  7  o 18 4.11679e+02 3.92909e+00 5.07360e+02 262.905 -5.66991e+00 -4.55517e+01 0.00000e+00 0.00000e+00 5.37879e+02 262.905 3.05188e+01 262.905 0.9890 
1 1 1 12 8  8  o 17 1.53824e+02 5.00869e+00 3.35256e+02 151.949 -9.89892e+00 5.27461e+00  0.00000e+00 0.00000e+00 4.13444e+01 151.949 2.93911e+02 331.949 0.9543 
1 1 1 12 8  9  o 9  2.64933e+02 3.92299e+00 3.00075e+02 269.109 -2.67249e-01 -1.71867e+01 0.00000e+00 0.00000e+00 3.59030e+02 269.109 5.89547e+01 269.109 0.9705 
1 1 1 12 8  10 o 16 3.53787e+02 4.41418e+00 4.83459e+02 352.435 3.62694e+01  -4.81674e+00 0.00000e+00 0.00000e+00 4.10276e+02 352.435 7.31832e+01 172.435 0.9862 
1 1 1 12 8  11 o 13 2.80254e+02 3.65777e+00 3.96838e+02 85.252  1.96638e+00  2.36765e+01  0.00000e+00 0.00000e+00 3.05108e+02 85.252  9.17306e+01 265.252 0.9787 
1 1 1 12 8  12 o 2  5.27625e+02 4.63080e+00 7.12609e+02 326.200 6.57728e+01  -4.40314e+01 0.00000e+00 0.00000e+00 6.27762e+02 326.200 8.48472e+01 146.200 0.9937 
1 1 1 12 8  13 o 15 3.34655e+02 3.50418e+00 4.00149e+02 224.237 -1.99772e+01 -1.94523e+01 0.00000e+00 0.00000e+00 4.39035e+02 224.237 3.88856e+01 224.237 0.9819 
1 1 1 12 8  14 o 9  3.61260e+02 4.07939e+00 3.88063e+02 210.882 -2.64033e+01 -1.57911e+01 0.00000e+00 0.00000e+00 5.18356e+02 210.882 1.30293e+02 210.882 0.9836 
1 1 1 12 8  15 o 6  9.18192e+01 6.39782e+00 1.19742e+02 8.771   2.33451e+00  3.60189e-01  0.00000e+00 0.00000e+00 5.54985e+01 8.771   6.42432e+01 188.771 0.7491 
1 1 1 12 8  16 o 8  2.40361e+02 3.73584e+00 2.71303e+02 76.748  3.54401e+00  1.50482e+01  0.00000e+00 0.00000e+00 3.20118e+02 76.748  4.88152e+01 76.748  0.9671 
1 1 1 12 8  17 o 8  1.09936e+02 7.42717e+00 1.49523e+02 114.125 -1.54885e+00 3.45853e+00  0.00000e+00 0.00000e+00 8.92611e+01 114.125 6.02619e+01 294.125 0.8549 
1 1 1 12 8  18 o 11 1.38970e+02 5.25344e+00 2.35253e+02 271.762 2.46112e-01  -7.99977e+00 0.00000e+00 0.00000e+00 9.44662e+01 271.762 1.40787e+02 91.762  0.9353 
1 1 1 12 8  19 o 15 3.51850e+02 3.76830e+00 4.09063e+02 349.879 3.41999e+01  -6.10488e+00 0.00000e+00 0.00000e+00 4.69170e+02 349.879 6.01077e+01 349.879 0.9855 
1 1 1 12 8  20 o 1  5.53842e+02 4.32747e+00 5.77668e+02 88.853  1.73473e+00  8.66507e+01  0.00000e+00 0.00000e+00 8.14626e+02 88.853  2.36958e+02 88.853  0.9942 
1 1 1 12 8  21 o 13 2.69173e+02 3.71141e+00 2.71920e+02 80.482  3.22165e+00  1.92144e+01  0.00000e+00 0.00000e+00 3.89811e+02 80.482  1.17891e+02 80.482  0.9740 
1 1 1 12 8  23 o 6  3.27525e+02 3.55058e+00 2.86775e+02 81.842  4.26897e+00  2.97784e+01  0.00000e+00 0.00000e+00 5.22974e+02 81.842  2.36199e+02 81.842  0.9832 
1 1 1 12 8  24 o 7  6.25217e+01 9.67087e+00 1.25776e+02 60.044  1.19403e+00  2.07178e+00  0.00000e+00 0.00000e+00 7.69494e+00 240.044 1.33471e+02 240.044 0.7526 
1 1 1 12 8  25 o 13 2.36095e+02 3.77769e+00 2.20147e+02 248.359 -6.94943e+00 -1.75158e+01 0.00000e+00 0.00000e+00 3.55150e+02 248.359 1.35003e+02 248.359 0.9731 
1 1 1 12 8  26 f 0  1.98480e+02 4.36635e+00 1.57190e+02 304.436 5.99335e+00  -8.74121e+00 0.00000e+00 0.00000e+00 3.14719e+02 304.436 1.57529e+02 304.436 0.9516 
1 1 1 12 8  28 o 13 1.97430e+02 4.10191e+00 2.73125e+02 289.282 7.39765e+00  -2.11452e+01 0.00000e+00 0.00000e+00 2.06790e+02 289.282 6.63348e+01 109.282 0.9774 
1 1 1 12 8  29 o 7  2.23969e+02 4.01632e+00 1.59611e+02 7.010   1.44219e+01  1.77336e+00  0.00000e+00 0.00000e+00 3.76551e+02 7.010   2.16939e+02 7.010   0.9650 
1 1 1 12 8  30 o 11 6.51823e+01 9.57916e+00 1.13070e+02 339.145 3.04563e+00  -1.16026e+00 0.00000e+00 0.00000e+00 2.03963e+01 339.145 9.26742e+01 159.145 0.8275 
1 1 1 12 8  31 o 3  2.93559e+02 3.70493e+00 3.24730e+02 113.006 -1.68651e+01 3.97200e+01  0.00000e+00 0.00000e+00 3.91345e+02 113.006 6.66147e+01 113.006 0.9883 
1 1 1 12 8  32 o 16 5.23061e+01 1.05915e+01 8.51141e+01 289.095 6.22167e-01  -1.79717e+00 0.00000e+00 0.00000e+00 2.55702e+00 289.095 8.25571e+01 109.095 0.6810 
1 1 1 12 8  33 f 0  1.29419e+02 5.30960e+00 1.70543e+02 329.794 9.43670e+00  -5.49363e+00 0.00000e+00 0.00000e+00 1.32196e+02 329.794 3.83465e+01 149.794 0.9530 
1 1 1 12 8  34 o 9  3.79733e+02 4.07672e+00 4.53085e+02 111.709 -3.60299e+01 9.04956e+01  0.00000e+00 0.00000e+00 4.71483e+02 111.709 1.83976e+01 111.709 0.9949 
1 1 1 12 8  35 o 12 6.84448e+01 9.41490e+00 6.13905e+01 249.174 -7.40963e-01 -1.94792e+00 0.00000e+00 0.00000e+00 5.73742e+01 249.174 4.01632e+00 69.174  0.7111 
1 1 1 12 8  36 o 14 1.12200e+02 6.15938e+00 9.36282e+01 35.704  5.77948e+00  4.15366e+00  0.00000e+00 0.00000e+00 1.59340e+02 35.704  6.57119e+01 35.704  0.9268 
1 1 1 12 8  37 o 15 6.78294e+01 9.16908e+00 7.95307e+01 112.824 -1.40250e+00 3.33246e+00  0.00000e+00 0.00000e+00 5.97756e+01 112.824 1.97551e+01 292.824 0.8469 
1 1 1 12 8  38 o 9  1.57952e+02 4.50568e+00 2.17605e+02 325.904 2.00877e+01  -1.35986e+01 0.00000e+00 0.00000e+00 1.56236e+02 325.904 6.13684e+01 145.904 0.9792 
1 1 1 12 8  39 o 10 1.34110e+02 4.87923e+00 1.40222e+02 66.919  5.20288e+00  1.22089e+01  0.00000e+00 0.00000e+00 1.70448e+02 66.919  3.02262e+01 66.919  0.9616 
1 1 1 12 8  40 f 0  6.84359e+01 8.27228e+00 4.19238e+01 196.253 -1.96865e+00 -5.73905e-01 0.00000e+00 0.00000e+00 7.40656e+01 196.253 3.21418e+01 196.253 0.7059 
1 1 1 12 8  41 o 19 5.50932e+01 1.04266e+01 5.46920e+01 82.962  3.13520e-01  2.53952e+00  0.00000e+00 0.00000e+00 4.69692e+01 82.962  7.72278e+00 262.962 0.7712 
1 1 1 12 8  42 o 16 8.56909e+01 7.41324e+00 2.32516e+01 222.378 -1.16731e+00 -1.06506e+00 0.00000e+00 0.00000e+00 1.02455e+02 222.378 7.92039e+01 222.378 0.6153 
1 1 1 12 8  43 f 0  6.35747e+01 9.18852e+00 1.06115e+02 171.862 -6.28450e+00 8.98620e-01  0.00000e+00 0.00000e+00 3.24290e+01 171.862 7.36860e+01 351.862 0.9175 
1 1 1 12 8  44 o 11 1.04803e+02 5.93123e+00 1.71561e+02 164.403 -1.70449e+01 4.75814e+00  0.00000e+00 0.00000e+00 6.93335e+01 164.403 1.02228e+02 344.403 0.9713 
1 1 1 12 8  45 o 4  6.37668e+01 8.86808e+00 1.18426e+02 259.726 -1.46134e+00 -8.06228e+00 0.00000e+00 0.00000e+00 2.23972e+01 259.726 9.60292e+01 79.726  0.9368 
1 1 1 12 8  46 o 10 7.45464e+01 2.93843e+01 6.29993e+01 316.191 1.88594e+00  -1.80912e+00 0.00000e+00 0.00000e+00 7.29713e+01 316.191 9.97204e+00 316.191 0.7768 
1 1 1 12 8  47 o 9  1.24447e+02 5.44135e+00 9.36275e+01 209.986 -1.40544e+01 -8.10979e+00 0.00000e+00 0.00000e+00 1.88301e+02 209.986 9.46732e+01 209.986 0.9687 
1 1 1 12 8  48 o 16 3.78492e+01 1.02892e+01 5.61095e+01 112.475 -1.01451e+00 2.45230e+00  0.00000e+00 0.00000e+00 1.27180e+01 112.475 4.33915e+01 292.475 0.7807 
1 1 1 12 8  49 o 14 5.17783e+01 1.03758e+01 2.54765e+01 147.130 -1.39250e+00 8.99820e-01  0.00000e+00 0.00000e+00 5.05220e+01 147.130 2.50454e+01 147.130 0.6328 
1 1 1 12 8  50 o 14 3.20668e+01 9.12982e+00 3.90291e+01 228.839 -1.09869e+00 -1.25674e+00 0.00000e+00 0.00000e+00 8.01922e+00 228.839 3.10099e+01 48.839  0.6353 
1 1 1 12 8  51 o 2  3.64594e+01 1.06016e+01 8.23586e+01 9.859   4.22063e+00  7.33526e-01  0.00000e+00 0.00000e+00 9.11654e+00 189.859 9.14751e+01 189.859 0.8736 
1 1 1 12 8  52 o 3  1.15502e+02 6.30197e+00 1.11731e+02 24.222  1.83588e+01  8.25915e+00  0.00000e+00 0.00000e+00 1.46033e+02 24.222  3.43015e+01 24.222  0.9748 
1 1 1 12 8  53 o 19 1.08619e+02 6.99275e+00 1.22659e+02 58.345  1.21505e+01  1.97078e+01  0.00000e+00 0.00000e+00 1.19472e+02 58.345  3.18780e+00 238.345 0.9782 
1 1 1 12 8  54 o 8  9.61867e+01 6.70140e+00 1.07307e+02 179.366 -1.78811e+01 1.97970e-01  0.00000e+00 0.00000e+00 1.04696e+02 179.366 2.61159e+00 359.366 0.9716 
1 1 1 12 8  55 o 2  6.60895e+01 9.14975e+00 8.67769e+01 108.077 -3.35201e+00 1.02694e+01  0.00000e+00 0.00000e+00 5.53568e+01 108.077 3.14201e+01 288.077 0.9525 
1 1 1 12 8  56 o 9  1.07777e+02 6.04156e+00 1.19822e+02 176.989 -2.80246e+01 1.47421e+00  0.00000e+00 0.00000e+00 1.18001e+02 176.989 1.82063e+00 356.989 0.9820 
1 1 1 12 8  57 o 19 3.76344e+01 1.07073e+01 2.62876e+01 195.376 -1.84316e+00 -5.06849e-01 0.00000e+00 0.00000e+00 3.11650e+01 195.376 4.87735e+00 195.376 0.6827 
1 1 1 12 8  58 o 17 3.90566e+01 1.06772e+01 5.66636e+01 107.304 -1.42088e+00 4.56078e+00  0.00000e+00 0.00000e+00 2.05004e+01 107.304 3.61632e+01 287.304 0.8879 
1 1 1 12 8  59 o 6  3.67551e+01 1.03690e+01 3.64534e+01 232.404 -1.94054e+00 -2.52020e+00 0.00000e+00 0.00000e+00 3.04736e+01 232.404 5.97988e+00 52.404  0.8225 
1 1 1 12 9  0  o 12 7.66621e+01 1.14629e+01 4.77520e+01 180.000 -3.90078e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.56761e+01 180.000 2.20759e+01 0.000   0.3714 
1 1 1 12 9  1  o 6  2.52974e+02 3.67084e+00 3.76594e+02 14.778  1.99062e+01  5.25120e+00  0.00000e+00 0.00000e+00 2.59687e+02 14.778  1.16906e+02 194.778 0.9754 
1 1 1 12 9  2  o 14 9.35259e+01 6.67119e+00 1.20500e+02 37.592  1.91008e+00  1.47053e+00  0.00000e+00 0.00000e+00 6.15370e+01 37.592  5.89629e+01 217.592 0.7549 
1 1 1 12 9  3  o 5  1.29404e+02 5.00013e+00 1.85200e+02 315.936 3.69332e+00  -3.57454e+00 0.00000e+00 0.00000e+00 1.13856e+02 315.936 7.13442e+01 135.936 0.8965 
1 1 1 12 9  4  o 18 3.48475e+02 3.45063e+00 4.69409e+02 224.100 -2.51884e+01 -2.44093e+01 0.00000e+00 0.00000e+00 4.15702e+02 224.100 5.37062e+01 44.100  0.9856 
1 1 1 12 9  5  o 13 2.85773e+02 3.41866e+00 2.56109e+02 279.181 2.49187e+00  -1.54180e+01 0.00000e+00 0.00000e+00 4.56061e+02 279.181 1.99952e+02 279.181 0.9674 
1 1 1 12 9  6  o 4  1.93945e+02 3.80976e+00 3.25067e+01 191.373 -1.31009e+00 -2.63514e-01 0.00000e+00 0.00000e+00 2.43636e+02 191.373 2.11129e+02 191.373 0.5530 
1 1 1 12 9  7  o 12 4.48342e+02 3.99048e+00 5.66939e+02 26.742  4.77626e+01  2.40655e+01  0.00000e+00 0.00000e+00 5.75943e+02 26.742  9.00402e+00 26.742  0.9906 
1 1 1 12 9  8  o 11 1.06942e+02 6.08493e+00 1.22093e+02 151.768 -2.38771e+00 1.28200e+00  0.00000e+00 0.00000e+00 9.40806e+01 151.768 2.80128e+01 331.768 0.7860 
1 1 1 12 9  9  o 5  1.88083e+02 4.02060e+00 1.78692e+02 0.594   7.44037e+00  7.71266e-02  0.00000e+00 0.00000e+00 2.70873e+02 0.594   9.21811e+01 0.594   0.9301 
1 1 1 12 9  10 o 13 1.98127e+02 4.49569e+00 1.57910e+02 217.371 -5.44603e+00 -4.15951e+00 0.00000e+00 0.00000e+00 3.12072e+02 217.371 1.54162e+02 217.371 0.9239 
1 1 1 12 9  11 o 19 3.84660e+02 3.81320e+00 4.51723e+02 152.617 -3.34963e+01 1.73502e+01  0.00000e+00 0.00000e+00 5.21884e+02 152.617 7.01608e+01 152.617 0.9867 
1 1 1 12 9  12 o 1  4.77288e+02 4.15106e+00 5.56810e+02 103.605 -1.49118e+01 6.16158e+01  0.00000e+00 0.00000e+00 6.56685e+02 103.605 9.98752e+01 103.605 0.9921 
1 1 1 12 9  14 o 12 3.44227e+02 3.51671e+00 2.75515e+02 77.706  4.70573e+00  2.15934e+01  0.00000e+00 0.00000e+00 5.84535e+02 77.706  3.09020e+02 77.706  0.9771 
1 1 1 12 9  15 o 4  3.70196e+02 3.95023e+00 4.45074e+02 179.693 -4.05141e+01 2.17086e-01  0.00000e+00 0.00000e+00 4.88604e+02 179.693 4.35295e+01 179.693 0.9876 
1 1 1 12 9  16 o 17 3.46349e+02 3.80123e+00 4.76516e+02 341.477 3.79111e+01  -1.27018e+01 0.00000e+00 0.00000e+00 3.95702e+02 341.477 8.08147e+01 161.477 0.9874 
1 1 1 12 9  17 o 7  2.78489e+02 3.70511e+00 2.92459e+02 230.799 -1.40626e+01 -1.72416e+01 0.00000e+00 0.00000e+00 4.00669e+02 230.799 1.08210e+02 230.799 0.9773 
1 1 1 12 9  18 o 17 2.88217e+02 4.03377e+00 3.53434e+02 3.956   2.72846e+01  1.88686e+00  0.00000e+00 0.00000e+00 3.65960e+02 3.956   1.25263e+01 3.956   0.9815 
1 1 1 12 9  19 o 3  3.66448e+02 6.47203e+00 4.05701e+02 139.124 -3.12696e+01 2.70641e+01  0.00000e+00 0.00000e+00 5.13353e+02 139.124 1.07652e+02 139.124 0.9878 
1 1 1 12 9  20 o 1  3.76464e+02 1.21439e+01 4.04452e+02 29.496  3.49344e+01  1.97613e+01  0.00000e+00 0.00000e+00 5.37782e+02 29.496  1.33331e+02 29.496  0.9875 
1 1 1 12 9  21 o 6  7.39907e+01 8.98837e+00 9.55850e+01 229.055 -1.43981e+00 -1.65950e+00 0.00000e+00 0.00000e+00 4.06307e+01 229.055 5.49544e+01 49.055  0.7276 
1 1 1 12 9  22 o 10 8.68343e+01 7.78817e+00 7.51267e+01 28.378  2.07657e+00  1.12177e+00  0.00000e+00 0.00000e+00 8.91033e+01 28.378  1.39766e+01 28.378  0.7489 
1 1 1 12 9  23 o 17 2.45114e+02 4.04954e+00 2.58562e+02 340.440 2.16406e+01  -7.68893e+00 0.00000e+00 0.00000e+00 3.45660e+02 340.440 8.70982e+01 340.440 0.9780 
1 1 1 12 9  24 o 7  2.16459e+02 4.14938e+00 3.19743e+02 140.395 -1.81665e+01 1.50313e+01  0.00000e+00 0.00000e+00 2.13076e+02 140.395 1.06667e+02 320.395 0.9786 
1 1 1 12 9  26 o 16 2.96622e+02 4.16622e+00 3.15583e+02 273.411 2.32626e+00  -3.90248e+01 0.00000e+00 0.00000e+00 4.17782e+02 273.411 1.02199e+02 273.411 0.9871 
1 1 1 12 9  27 o 1  2.66561e+02 3.94404e+00 2.17094e+02 281.713 4.81068e+00  -2.32034e+01 0.00000e+00 0.00000e+00 4.34807e+02 281.713 2.17713e+02 281.713 0.9787 
1 1 1 12 9  28 o 14 4.41806e+02 3.95979e+00 4.91794e+02 70.878  3.31236e+01  9.55341e+01  0.00000e+00 0.00000e+00 6.04162e+02 70.878  1.12368e+02 70.878  0.9950 
1 1 1 12 9  29 o 6  2.16487e+02 3.96735e+00 2.24265e+02 359.150 2.21729e+01  -3.29013e-01 0.00000e+00 0.00000e+00 3.01827e+02 359.150 7.75615e+01 359.150 0.9772 
1 1 1 12 9  30 o 16 2.19656e+02 4.22312e+00 2.68228e+02 37.778  2.11738e+01  1.64109e+01  0.00000e+00 0.00000e+00 2.66369e+02 37.778  1.85879e+00 217.778 0.9812 
1 1 1 12 9  31 o 10 1.15271e+02 6.06213e+00 1.02222e+02 20.300  5.50695e+00  2.03706e+00  0.00000e+00 0.00000e+00 1.57385e+02 20.300  5.51631e+01 20.300  0.9103 
1 1 1 12 9  32 o 12 8.96081e+01 7.65087e+00 1.71969e+02 254.312 -2.32286e+00 -8.27038e+00 0.00000e+00 0.00000e+00 3.58251e+01 254.312 1.36144e+02 74.312  0.9399 
1 1 1 12 9  33 o 12 1.28852e+02 5.77326e+00 1.26106e+02 91.705  -2.51866e-01 8.46196e+00  0.00000e+00 0.00000e+00 1.71563e+02 91.705  4.54570e+01 91.705  0.9389 
1 1 1 12 9  34 o 6  4.48942e+01 1.04509e+01 8.46253e+01 217.271 -1.96228e+00 -1.49328e+00 0.00000e+00 0.00000e+00 7.84034e-01 37.271  8.54093e+01 37.271  0.7612 
1 1 1 12 9  35 o 17 9.84500e+01 6.22976e+00 1.29362e+02 315.827 6.46326e+00  -6.27923e+00 0.00000e+00 0.00000e+00 9.76652e+01 315.827 3.16966e+01 135.827 0.9428 
1 1 1 12 9  36 o 13 5.67995e+01 1.01602e+01 4.10478e+01 354.084 1.55360e+00  -1.60981e-01 0.00000e+00 0.00000e+00 4.35902e+01 354.084 2.54248e+00 354.084 0.6111 
1 1 1 12 9  37 o 11 1.70329e+02 4.17483e+00 2.26086e+02 219.488 -2.14947e+01 -1.77116e+01 0.00000e+00 0.00000e+00 1.80458e+02 219.488 4.56278e+01 39.488  0.9819 
1 1 1 12 9  38 o 9  2.02605e+02 4.00125e+00 2.23878e+02 274.521 2.80133e+00  -3.54264e+01 0.00000e+00 0.00000e+00 2.60080e+02 274.521 3.62012e+01 274.521 0.9858 
1 1 1 12 9  39 o 9  1.73316e+02 4.29974e+00 1.60946e+02 137.510 -1.53149e+01 1.40284e+01  0.00000e+00 0.00000e+00 2.47404e+02 137.510 8.64575e+01 137.510 0.9756 
1 1 1 12 9  40 o 3  1.19805e+02 5.39282e+00 1.19339e+02 137.811 -9.76994e+00 8.85548e+00  0.00000e+00 0.00000e+00 1.57846e+02 137.811 3.85071e+01 137.811 0.9613 
1 1 1 12 9  41 o 14 1.57086e+02 4.60636e+00 1.47282e+02 327.032 2.00954e+01  -1.30340e+01 0.00000e+00 0.00000e+00 2.21518e+02 327.032 7.42363e+01 327.032 0.9789 
1 1 1 12 9  42 o 8  1.71551e+02 4.33981e+00 2.38015e+02 224.020 -3.12794e+01 -3.02273e+01 0.00000e+00 0.00000e+00 1.67217e+02 224.020 7.07983e+01 44.020  0.9884 
1 1 1 12 9  43 o 19 3.11776e+01 9.60513e+00 5.26281e+01 242.294 -7.03688e-01 -1.33996e+00 0.00000e+00 0.00000e+00 8.12750e+00 62.294  6.07556e+01 62.294  0.5995 
1 1 1 12 9  44 o 2  1.01676e+02 6.18012e+00 1.14060e+02 288.785 4.27569e+00  -1.25707e+01 0.00000e+00 0.00000e+00 1.17862e+02 288.785 3.80188e+00 288.785 0.9616 
1 1 1 12 9  46 o 10 8.48598e+01 1.13475e+01 1.13742e+02 19.223  1.09348e+01  3.81290e+00  0.00000e+00 0.00000e+00 7.71703e+01 19.223  3.65719e+01 199.223 0.9558 
1 1 1 12 9  47 o 10 8.75491e+01 7.54735e+00 6.14725e+01 301.191 3.75742e+00  -6.20650e+00 0.00000e+00 0.00000e+00 1.29053e+02 301.191 6.75806e+01 301.191 0.9283 
1 1 1 12 9  48 o 17 4.91205e+01 1.17047e+01 1.85176e+01 117.558 -5.07951e-01 9.73367e-01  0.00000e+00 0.00000e+00 3.65331e+01 117.558 1.80155e+01 117.558 0.4800 
1 1 1 12 9  49 o 15 5.37274e+01 1.05939e+01 9.91454e+01 121.866 -3.59894e+00 5.78950e+00  0.00000e+00 0.00000e+00 1.62070e+01 121.866 8.29384e+01 301.866 0.9234 
1 1 1 12 9  50 o 12 7.14366e+01 8.67774e+00 8.19712e+01 132.915 -6.07517e+00 6.53412e+00  0.00000e+00 0.00000e+00 7.38486e+01 132.915 8.12267e+00 312.915 0.9422 
1 1 1 12 9  51 o 4  2.72200e+01 8.84189e+00 1.55537e+01 4.654   6.18079e-01  5.03117e-02  0.00000e+00 0.00000e+00 3.02167e+00 4.654   1.25321e+01 184.654 0.2961 
1 1 1 12 9  52 o 13 1.20007e+02 5.71073e+00 1.13596e+02 256.973 -5.54388e+00 -2.39616e+01 0.00000e+00 0.00000e+00 1.56143e+02 256.973 4.25469e+01 256.973 0.9795 
1 1 1 12 9  53 o 9  6.66882e+01 8.91037e+00 6.29996e+01 162.994 -6.54573e+00 2.00203e+00  0.00000e+00 0.00000e+00 7.77319e+01 162.994 1.47323e+01 162.994 0.9238 
1 1 1 12 9  54 o 3  6.02510e+01 9.66888e+00 5.87091e+01 4.908   6.52853e+00  5.60633e-01  0.00000e+00 0.00000e+00 6.73606e+01 4.908   8.65148e+00 4.908   0.9202 
1 1 1 12 9  55 o 8  4.44156e+01 1.06776e+01 8.05246e+01 162.199 -6.70780e+00 2.15371e+00  0.00000e+00 0.00000e+00 1.25645e+01 162.199 6.79601e+01 342.199 0.9260 
1 1 1 12 9  56 o 1  4.25630e+01 1.08526e+01 2.15350e+01 347.302 1.72252e+00  -3.88136e-01 0.00000e+00 0.00000e+00 4.12891e+01 347.302 1.97540e+01 347.302 0.6553 
1 1 1 12 9  57 o 14 3.46830e+01 1.01398e+01 1.67407e+01 174.217 -1.28645e+00 1.30275e-01  0.00000e+00 0.00000e+00 2.52909e+01 174.217 8.55022e+00 174.217 0.5407 
1 1 1 12 9  58 o 16 4.19942e+01 9.68969e+00 5.76696e+01 283.307 1.37826e+00  -5.82740e+00 0.00000e+00 0.00000e+00 2.77689e+01 283.307 2.99007e+01 103.307 0.9122 
1 1 1 12 10 0  o 9  1.85155e+02 6.90638e+00 4.68621e+01 0.000   9.44978e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.06222e+02 0.000   2.59360e+02 0.000   0.7375 
1 1 1 12 10 1  o 18 3.32806e+02 3.53568e+00 3.15012e+02 262.494 -2.99120e+00 -2.27013e+01 0.00000e+00 0.00000e+00 5.26488e+02 262.494 2.11476e+02 262.494 0.9779 
1 1 1 12 10 2  o 2  2.99475e+02 3.54673e+00 2.30813e+02 320.784 1.16792e+01  -9.53057e+00 0.00000e+00 0.00000e+00 5.17274e+02 320.784 2.86461e+02 320.784 0.9662 
1 1 1 12 10 3  o 11 5.45636e+02 4.72706e+00 6.85618e+02 249.137 -3.21376e+01 -8.43214e+01 0.00000e+00 0.00000e+00 7.16858e+02 249.137 3.12408e+01 249.137 0.9944 
1 1 1 12 10 4  o 13 9.97819e+01 6.65944e+00 2.03472e+02 120.784 -2.48102e+00 4.16468e+00  0.00000e+00 0.00000e+00 2.59261e+01 120.784 1.77546e+02 300.783 0.8897 
1 1 1 12 10 5  o 9  1.99787e+02 5.16310e+00 2.37471e+02 51.414  7.07324e+00  8.86498e+00  0.00000e+00 0.00000e+00 2.55262e+02 51.414  1.77914e+01 51.414  0.9548 
1 1 1 12 10 7  o 1  3.06997e+02 1.06349e+01 4.42135e+02 53.468  1.86037e+01  2.51123e+01  0.00000e+00 0.00000e+00 3.37218e+02 53.468  1.04917e+02 233.468 0.9839 
1 1 1 12 10 8  o 6  3.73163e+02 3.76685e+00 4.55216e+02 166.797 -3.89522e+01 9.13854e+00  0.00000e+00 0.00000e+00 4.94916e+02 166.797 3.96992e+01 166.797 0.9874 
1 1 1 12 10 9  o 16 3.58407e+02 3.55287e+00 3.09845e+02 240.346 -1.37600e+01 -2.41690e+01 0.00000e+00 0.00000e+00 5.96903e+02 240.346 2.87058e+02 240.346 0.9819 
1 1 1 12 10 10 o 7  5.09682e+02 3.99293e+00 5.58606e+02 132.647 -4.78010e+01 5.18973e+01  0.00000e+00 0.00000e+00 7.44281e+02 132.647 1.85675e+02 132.647 0.9929 
1 1 1 12 10 11 o 5  1.76897e+02 4.21254e+00 1.63667e+02 219.196 -5.50009e+00 -4.48506e+00 0.00000e+00 0.00000e+00 2.57959e+02 219.196 9.42926e+01 219.196 0.9266 
1 1 1 12 10 12 o 3  3.01424e+02 3.51456e+00 2.89858e+02 35.283  1.98350e+01  1.40352e+01  0.00000e+00 0.00000e+00 4.68604e+02 35.283  1.78746e+02 35.283  0.9792 
1 1 1 12 10 13 o 13 2.19317e+02 3.75754e+00 2.54223e+02 180.552 -1.53130e+01 -1.47479e-01 0.00000e+00 0.00000e+00 2.90047e+02 180.552 3.58236e+01 180.552 0.9668 
1 1 1 12 10 14 o 6  1.82696e+02 4.29876e+00 1.79550e+02 10.895  8.72262e+00  1.67885e+00  0.00000e+00 0.00000e+00 2.61660e+02 10.895  8.21104e+01 10.895  0.9419 
1 1 1 12 10 15 o 12 1.32610e+02 5.29352e+00 2.37501e+02 264.371 -8.74837e-01 -8.87585e+00 0.00000e+00 0.00000e+00 8.24337e+01 264.371 1.55067e+02 84.371  0.9421 
1 1 1 12 10 17 o 10 3.30110e+02 3.67088e+00 3.48140e+02 77.628  8.01410e+00  3.65346e+01  0.00000e+00 0.00000e+00 4.83509e+02 77.628  1.35369e+02 77.628  0.9865 
1 1 1 12 10 18 o 7  2.00355e+02 4.30244e+00 2.51414e+02 167.852 -1.57506e+01 3.39048e+00  0.00000e+00 0.00000e+00 2.43340e+02 167.852 8.07348e+00 347.852 0.9685 
1 1 1 12 10 19 f 0  3.85119e+02 4.22230e+00 3.27515e+02 355.121 4.67028e+01  -3.98699e+00 0.00000e+00 0.00000e+00 6.42391e+02 355.121 3.14876e+02 355.121 0.9893 
1 1 1 12 10 20 o 12 1.66596e+02 4.69528e+00 2.45852e+02 59.264  7.63828e+00  1.28457e+01  0.00000e+00 0.00000e+00 1.63130e+02 59.264  8.27225e+01 239.264 0.9659 
1 1 1 12 10 21 o 12 1.53495e+02 4.91645e+00 5.26708e+01 340.538 2.62054e+00  -9.26007e-01 0.00000e+00 0.00000e+00 2.55845e+02 340.538 2.03174e+02 340.538 0.7922 
1 1 1 12 10 24 o 5  5.39339e+01 9.09928e+00 9.92708e+01 262.605 -2.77703e-01 -2.13964e+00 0.00000e+00 0.00000e+00 1.04949e+00 82.605  1.00320e+02 82.605  0.7220 
1 1 1 12 10 25 o 16 3.34011e+02 3.92148e+00 3.41127e+02 214.608 -4.45335e+01 -3.07305e+01 0.00000e+00 0.00000e+00 4.91751e+02 214.608 1.50624e+02 214.608 0.9907 
1 1 1 12 10 26 o 9  1.86377e+02 4.75948e+00 1.79920e+02 85.004  1.35589e+00  1.55107e+01  0.00000e+00 0.00000e+00 2.72858e+02 85.004  9.29378e+01 85.004  0.9673 
1 1 1 12 10 27 o 17 2.23616e+02 4.30901e+00 2.71987e+02 71.473  8.83923e+00  2.63771e+01  0.00000e+00 0.00000e+00 2.78156e+02 71.473  6.16943e+00 71.473  0.9819 
1 1 1 12 10 28 o 14 2.83344e+02 4.42940e+00 3.10922e+02 356.923 4.01397e+01  -2.15746e+00 0.00000e+00 0.00000e+00 3.88497e+02 356.923 7.75749e+01 356.923 0.9875 
1 1 1 12 10 29 o 8  1.61267e+02 5.39097e+00 1.87513e+02 311.705 1.01334e+01  -1.13715e+01 0.00000e+00 0.00000e+00 2.01188e+02 311.705 1.36748e+01 311.705 0.9666 
1 1 1 12 10 30 o 9  3.45636e+02 4.17859e+00 3.97163e+02 271.215 1.68253e+00  -7.93235e+01 0.00000e+00 0.00000e+00 4.57086e+02 271.215 5.99223e+01 271.215 0.9937 
1 1 1 12 10 31 o 19 2.51052e+02 4.36431e+00 2.99105e+02 81.598  5.82042e+00  3.94075e+01  0.00000e+00 0.00000e+00 3.15816e+02 81.598  1.67104e+01 81.598  0.9874 
1 1 1 12 10 32 o 3  2.52834e+02 4.25437e+00 2.39093e+02 278.863 6.58341e+00  -4.22199e+01 0.00000e+00 0.00000e+00 3.79052e+02 278.863 1.39958e+02 278.863 0.9882 
1 1 1 12 10 33 o 18 1.63134e+02 4.85747e+00 1.81045e+02 79.429  3.92844e+00  2.10510e+01  0.00000e+00 0.00000e+00 2.11904e+02 79.429  3.08591e+01 79.429  0.9764 
1 1 1 12 10 34 o 10 1.56448e+02 4.61753e+00 1.90913e+02 109.442 -7.22630e+00 2.04721e+01  0.00000e+00 0.00000e+00 1.84968e+02 109.442 5.94448e+00 289.442 0.9767 
1 1 1 12 10 35 o 2  1.45669e+02 4.83446e+00 2.29464e+02 258.644 -4.79959e+00 -2.38975e+01 0.00000e+00 0.00000e+00 1.20401e+02 258.644 1.09063e+02 78.644  0.9793 
1 1 1 12 10 36 o 8  3.47009e+01 1.03161e+01 7.81355e+01 137.261 -1.45549e+00 1.34490e+00  0.00000e+00 0.00000e+00 1.91873e+01 317.261 9.73229e+01 317.261 0.6948 
1 1 1 12 10 37 f 0  7.53791e+01 8.50413e+00 1.67286e+02 76.898  2.06008e+00  8.85111e+00  0.00000e+00 0.00000e+00 6.02194e+00 76.898  1.61264e+02 256.898 0.9433 
1 1 1 12 10 38 o 4  1.44198e+02 5.20063e+00 9.79699e+01 88.720  2.96489e-01  1.32678e+01  0.00000e+00 0.00000e+00 2.38900e+02 88.720  1.40930e+02 88.720  0.9616 
1 1 1 12 10 39 o 7  1.00746e+02 6.87630e+00 1.32389e+02 140.116 -8.30426e+00 6.93960e+00  0.00000e+00 0.00000e+00 1.00009e+02 140.116 3.23800e+01 320.116 0.9526 
1 1 1 12 10 40 o 2  1.20322e+02 5.91068e+00 1.33168e+02 268.069 -5.47001e-01 -1.62288e+01 0.00000e+00 0.00000e+00 1.48114e+02 268.069 1.49455e+01 268.069 0.9687 
1 1 1 12 10 41 o 4  2.20035e+02 4.11077e+00 2.41091e+02 129.084 -3.55741e+01 4.37991e+01  0.00000e+00 0.00000e+00 2.83350e+02 129.084 4.22592e+01 129.084 0.9911 
1 1 1 12 10 42 o 1  1.06319e+02 6.14993e+00 1.22610e+02 175.453 -1.51735e+01 1.20668e+00  0.00000e+00 0.00000e+00 1.23642e+02 175.453 1.03263e+00 175.453 0.9666 
1 1 1 12 10 43 o 5  6.82678e+01 8.87266e+00 1.08831e+02 338.960 8.07026e+00  -3.10434e+00 0.00000e+00 0.00000e+00 4.44213e+01 338.960 6.44095e+01 158.960 0.9403 
1 1 1 12 10 45 o 15 1.01005e+02 6.22342e+00 1.02512e+02 340.285 1.38194e+01  -4.95210e+00 0.00000e+00 0.00000e+00 1.28511e+02 340.285 2.59982e+01 340.285 0.9653 
1 1 1 12 10 46 o 1  9.65156e+01 6.94617e+00 7.50006e+01 129.560 -6.06442e+00 7.34095e+00  0.00000e+00 0.00000e+00 1.40475e+02 129.560 6.54743e+01 129.560 0.9459 
1 1 1 12 10 47 o 1  1.16576e+02 6.38821e+00 7.53139e+01 247.098 -4.77028e+00 -1.12920e+01 0.00000e+00 0.00000e+00 1.87294e+02 247.098 1.11981e+02 247.098 0.9583 
1 1 1 12 10 48 o 1  1.44327e+02 4.67971e+00 1.64611e+02 109.224 -1.32707e+01 3.80574e+01  0.00000e+00 0.00000e+00 1.69053e+02 109.224 4.44177e+00 109.224 0.9875 
1 1 1 12 10 49 o 18 8.71914e+01 6.90186e+00 8.84819e+01 207.811 -1.09389e+01 -5.77020e+00 0.00000e+00 0.00000e+00 1.06389e+02 207.811 1.79069e+01 207.811 0.9587 
1 1 1 12 10 50 f 0  6.82080e+01 8.35127e+00 4.84633e+01 155.886 -5.18167e+00 2.31942e+00  0.00000e+00 0.00000e+00 9.51527e+01 155.886 4.66894e+01 155.886 0.9070 
1 1 1 12 10 51 o 1  6.08982e+01 9.20427e+00 7.97924e+01 15.297  7.64179e+00  2.09017e+00  0.00000e+00 0.00000e+00 5.17519e+01 15.297  2.80406e+01 195.297 0.9346 
1 1 1 12 10 52 o 18 1.22111e+02 6.03733e+00 1.00181e+02 97.695  -3.22130e+00 2.38420e+01  0.00000e+00 0.00000e+00 1.74899e+02 97.695  7.47180e+01 97.695  0.9790 
1 1 1 12 10 53 o 9  4.75354e+01 1.07596e+01 6.76733e+01 230.648 -3.61367e+00 -4.40686e+00 0.00000e+00 0.00000e+00 3.11317e+01 230.648 3.65416e+01 50.648  0.9074 
1 1 1 12 10 54 o 11 6.59204e+01 9.48777e+00 9.72394e+01 285.547 3.58239e+00  -1.28763e+01 0.00000e+00 0.00000e+00 4.73281e+01 285.547 4.99113e+01 105.547 0.9618 
1 1 1 12 10 55 f 0  7.73479e+01 8.04638e+00 7.78218e+01 137.708 -9.72132e+00 8.84325e+00  0.00000e+00 0.00000e+00 9.08946e+01 137.708 1.30728e+01 137.708 0.9612 
1 1 1 12 10 56 o 18 6.06457e+01 1.03101e+01 6.24181e+01 261.586 -1.22531e+00 -8.28401e+00 0.00000e+00 0.00000e+00 6.60944e+01 261.586 3.67625e+00 261.586 0.9382 
1 1 1 12 10 57 o 4  3.11863e+01 9.56695e+00 4.08824e+01 144.264 -2.58202e+00 1.85783e+00  0.00000e+00 0.00000e+00 1.67709e+01 144.264 2.41115e+01 324.264 0.8225 
1 1 1 12 11 0  o 8  2.76078e+01 1.73909e+01 4.14650e+00 180.000 -1.34639e-02 0.00000e+00  0.00000e+00 0.00000e+00 3.18255e+00 0.000   7.32905e+00 0.000   0.0135 
1 1 1 12 11 1  o 17 9.03727e+01 8.24556e+00 2.31664e+02 139.908 -3.86378e+00 3.25267e+00  0.00000e+00 0.00000e+00 2.20122e+01 319.908 2.53676e+02 319.908 0.8945 
1 1 1 12 11 2  o 8  4.82153e+01 1.13590e+01 2.04009e+01 335.289 2.40690e-01  -1.10759e-01 0.00000e+00 0.00000e+00 3.98212e+00 155.289 2.43830e+01 155.289 0.1313 
1 1 1 12 11 3  o 10 1.70401e+02 4.86202e+00 1.73588e+02 213.318 -6.89595e+00 -4.53295e+00 0.00000e+00 0.00000e+00 2.40467e+02 213.318 6.68793e+01 213.318 0.9373 
1 1 1 12 11 4  o 7  1.39715e+02 5.55327e+00 2.67819e+02 272.253 4.07939e-01  -1.03698e+01 0.00000e+00 0.00000e+00 7.63606e+01 272.253 1.91458e+02 92.253  0.9505 
1 1 1 12 11 5  o 4  3.34653e+02 3.70964e+00 4.72120e+02 152.596 -3.89759e+01 2.02070e+01  0.00000e+00 0.00000e+00 3.84918e+02 152.596 8.72018e+01 332.596 0.9885 
1 1 1 12 11 6  o 1  3.02036e+02 3.76122e+00 3.35907e+02 135.015 -1.98339e+01 1.98233e+01  0.00000e+00 0.00000e+00 4.32118e+02 135.015 9.62116e+01 135.015 0.9820 
1 1 1 12 11 7  o 9  5.23706e+02 4.31556e+00 4.45768e+02 192.818 -6.24345e+01 -1.42055e+01 0.00000e+00 0.00000e+00 8.98943e+02 192.818 4.53175e+02 192.818 0.9922 
1 1 1 12 11 8  o 4  1.19525e+02 6.18098e+00 2.34043e+02 350.301 7.45881e+00  -1.27477e+00 0.00000e+00 0.00000e+00 5.38663e+01 350.301 1.80177e+02 170.301 0.9314 
1 1 1 12 11 9  o 9  1.44340e+02 5.59662e+00 1.03211e+02 80.319  7.16689e-01  4.20110e+00  0.00000e+00 0.00000e+00 2.22403e+02 80.319  1.19193e+02 80.319  0.8729 
1 1 1 12 11 12 o 12 1.71754e+02 4.55172e+00 1.49508e+02 248.514 -3.08783e+00 -7.84442e+00 0.00000e+00 0.00000e+00 2.66019e+02 248.514 1.16511e+02 248.514 0.9387 
1 1 1 12 11 13 o 5  2.59956e+02 3.63286e+00 2.05483e+02 319.979 1.33253e+01  -1.11894e+01 0.00000e+00 0.00000e+00 4.44277e+02 319.979 2.38794e+02 319.979 0.9708 
1 1 1 12 11 14 o 8  1.69829e+02 4.29971e+00 8.33729e+01 121.038 -2.34519e+00 3.89713e+00  0.00000e+00 0.00000e+00 3.01712e+02 121.038 2.18340e+02 121.038 0.8817 
1 1 1 12 11 15 f 0  2.30085e+02 3.71761e+00 2.23352e+02 66.239  7.76994e+00  1.76492e+01  0.00000e+00 0.00000e+00 3.52067e+02 66.239  1.28715e+02 66.239  0.9737 
1 1 1 12 11 16 f 0  1.35613e+02 4.89151e+00 1.34603e+02 215.647 -5.46805e+00 -3.92159e+00 0.00000e+00 0.00000e+00 1.86237e+02 215.647 5.16341e+01 215.647 0.9224 
1 1 1 12 11 17 o 12 2.20092e+02 3.75076e+00 2.24428e+02 10.349  1.70248e+01  3.10905e+00  0.00000e+00 0.00000e+00 3.22761e+02 10.349  9.83328e+01 10.349  0.9707 
1 1 1 12 11 18 o 8  1.86228e+02 4.01756e+00 3.40347e+02 276.354 2.41941e+00  -2.17283e+01 0.00000e+00 0.00000e+00 1.24900e+02 276.354 2.15448e+02 96.354  0.9769 
1 1 1 12 11 20 o 7  1.44646e+02 9.36595e+00 1.43344e+02 356.969 7.78422e+00  -4.12226e-01 0.00000e+00 0.00000e+00 2.00838e+02 356.969 5.74938e+01 356.969 0.9335 
1 1 1 12 11 21 o 19 3.17318e+02 3.87225e+00 2.60887e+02 154.179 -3.13350e+01 1.51620e+01  0.00000e+00 0.00000e+00 5.34870e+02 154.179 2.73983e+02 154.179 0.9855 
1 1 1 12 11 22 o 19 1.77827e+02 4.83598e+00 1.16580e+02 96.716  -1.15694e+00 9.82467e+00  0.00000e+00 0.00000e+00 3.11602e+02 96.716  1.95022e+02 96.716  0.9480 
1 1 1 12 11 23 o 11 9.69684e+01 7.50664e+00 2.03635e+02 136.157 -6.55924e+00 6.29953e+00  0.00000e+00 0.00000e+00 2.82380e+01 136.157 1.75397e+02 316.157 0.9433 
1 1 1 12 11 24 o 1  2.57137e+02 3.92651e+00 3.22113e+02 163.692 -3.69478e+01 1.08099e+01  0.00000e+00 0.00000e+00 3.19888e+02 163.692 2.22519e+00 343.692 0.9869 
1 1 1 12 11 25 o 16 9.93635e+01 8.80360e+00 2.23880e+02 276.674 1.15989e+00  -9.91174e+00 0.00000e+00 0.00000e+00 1.40389e+01 276.674 2.09841e+02 96.674  0.9485 
1 1 1 12 11 26 o 3  2.42906e+02 4.66868e+00 2.57460e+02 66.374  1.29116e+01  2.95167e+01  0.00000e+00 0.00000e+00 3.44827e+02 66.374  8.73663e+01 66.374  0.9844 
1 1 1 12 11 27 f 0  2.07169e+02 5.00356e+00 3.05128e+02 155.588 -2.90544e+01 1.31871e+01  0.00000e+00 0.00000e+00 2.07296e+02 155.588 9.78317e+01 335.588 0.9842 
1 1 1 12 11 28 o 18 3.49154e+02 4.10615e+00 4.37864e+02 247.490 -3.38833e+01 -8.17620e+01 0.00000e+00 0.00000e+00 4.32577e+02 247.490 5.28704e+00 67.490  0.9943 
1 1 1 12 11 29 o 2  1.06753e+02 7.39409e+00 9.62077e+01 206.243 -4.78500e+00 -2.35893e+00 0.00000e+00 0.00000e+00 1.44251e+02 206.243 4.80429e+01 206.243 0.9006 
1 1 1 12 11 30 o 11 2.03329e+02 4.21479e+00 1.87215e+02 277.772 3.65460e+00  -2.67770e+01 0.00000e+00 0.00000e+00 3.10552e+02 277.772 1.23337e+02 277.772 0.9813 
1 1 1 12 11 31 o 4  1.19580e+02 5.61714e+00 1.21462e+02 298.272 4.97856e+00  -9.25711e+00 0.00000e+00 0.00000e+00 1.61542e+02 298.272 4.00802e+01 298.272 0.9512 
1 1 1 12 11 32 o 12 1.48084e+02 5.52804e+00 2.37773e+02 5.438   2.54346e+01  2.42129e+00  0.00000e+00 0.00000e+00 1.22417e+02 5.438   1.15356e+02 185.438 0.9802 
1 1 1 12 11 33 o 8  3.77997e+01 1.09478e+01 5.06183e+01 173.590 -1.28475e+00 1.44340e-01  0.00000e+00 0.00000e+00 5.47935e-02 353.590 5.06731e+01 353.590 0.5406 
1 1 1 12 11 34 o 7  9.74085e+01 7.24607e+00 9.53536e+01 103.586 -1.68981e+00 6.99214e+00  0.00000e+00 0.00000e+00 1.27589e+02 103.586 3.22354e+01 103.586 0.9276 
1 1 1 12 11 35 o 3  6.34212e+01 1.05137e+01 1.08551e+02 18.086  4.60343e+00  1.50343e+00  0.00000e+00 0.00000e+00 3.02391e+01 18.086  7.83119e+01 198.086 0.8896 
1 1 1 12 11 36 o 19 3.91559e+01 1.01864e+01 5.49666e+01 241.301 -9.01184e-01 -1.64613e+00 0.00000e+00 0.00000e+00 9.99066e+00 241.301 4.49760e+01 61.301  0.6764 
1 1 1 12 11 37 o 12 4.35043e+01 1.08441e+01 2.16711e+01 227.955 -4.84274e-01 -5.36997e-01 0.00000e+00 0.00000e+00 1.44701e+01 227.955 7.20103e+00 47.955  0.3398 
1 1 1 12 11 38 o 7  8.31910e+01 8.09016e+00 1.46783e+02 338.265 1.12161e+01  -4.47128e+00 0.00000e+00 0.00000e+00 4.73546e+01 338.265 9.94282e+01 158.265 0.9577 
1 1 1 12 11 39 o 5  1.66222e+02 4.65574e+00 1.94933e+02 161.980 -3.30483e+01 1.07510e+01  0.00000e+00 0.00000e+00 2.02928e+02 161.980 7.99530e+00 161.980 0.9855 
1 1 1 12 11 40 o 11 5.88660e+01 1.03123e+01 6.91025e+01 36.753  2.98873e+00  2.23203e+00  0.00000e+00 0.00000e+00 5.23346e+01 36.753  1.67680e+01 216.753 0.8523 
1 1 1 12 11 41 f 0  5.05345e+01 1.09766e+01 5.98492e+01 299.860 1.56639e+00  -2.72848e+00 0.00000e+00 0.00000e+00 4.01303e+01 299.860 1.97189e+01 119.860 0.8202 
1 1 1 12 11 43 o 13 8.62225e+01 7.26449e+00 1.41093e+02 182.879 -1.65759e+01 -8.33497e-01 0.00000e+00 0.00000e+00 5.90576e+01 182.879 8.20356e+01 2.879   0.9694 
1 1 1 12 11 44 o 12 2.95435e+01 9.39682e+00 4.02273e+01 122.229 -8.26001e-01 1.31019e+00  0.00000e+00 0.00000e+00 2.62315e+00 122.229 3.76041e+01 302.229 0.6080 
1 1 1 12 11 45 f 0  3.85088e+01 1.02558e+01 6.64141e+01 116.404 -1.45883e+00 2.93825e+00  0.00000e+00 0.00000e+00 9.43112e+00 116.404 5.69830e+01 296.404 0.8288 
1 1 1 12 11 46 o 14 4.10748e+01 1.12647e+01 5.61850e+01 109.081 -9.59034e-01 2.77255e+00  0.00000e+00 0.00000e+00 2.20837e+01 109.081 3.41013e+01 289.081 0.8050 
1 1 1 12 11 47 f 0  3.81157e+01 9.57290e+00 7.12710e+01 335.193 3.66482e+00  -1.69396e+00 0.00000e+00 0.00000e+00 6.45841e+00 335.193 6.48126e+01 155.193 0.8649 
1 1 1 12 11 48 o 4  1.33732e+02 5.48925e+00 1.30925e+02 89.988  5.81113e-03  2.85545e+01  0.00000e+00 0.00000e+00 1.77540e+02 89.988  4.66146e+01 89.988  0.9823 
1 1 1 12 11 49 o 12 3.80961e+01 1.03013e+01 3.90979e+01 331.109 2.08433e+00  -1.15019e+00 0.00000e+00 0.00000e+00 2.78331e+01 331.109 1.12649e+01 151.109 0.7514 
1 1 1 12 11 50 o 8  4.59096e+01 1.00052e+01 5.09091e+01 330.271 3.24620e+00  -1.85377e+00 0.00000e+00 0.00000e+00 4.02316e+01 330.271 1.06775e+01 150.271 0.8526 
1 1 1 12 11 51 o 16 7.58026e+01 7.91480e+00 8.71392e+01 49.171  8.01513e+00  9.27609e+00  0.00000e+00 0.00000e+00 8.12591e+01 49.171  5.88004e+00 229.171 0.9583 
1 1 1 12 11 52 o 8  9.56169e+01 7.33356e+00 9.16072e+01 266.300 -1.21331e+00 -1.87600e+01 0.00000e+00 0.00000e+00 1.23117e+02 266.300 3.15095e+01 266.300 0.9730 
1 1 1 12 11 53 o 8  3.07240e+01 9.64694e+00 4.80242e+01 172.162 -3.02516e+00 4.16439e-01  0.00000e+00 0.00000e+00 9.42585e+00 172.162 3.85983e+01 352.162 0.8139 
1 1 1 12 11 54 o 5  3.11431e+01 9.76639e+00 4.00894e+01 221.901 -2.06262e+00 -1.85073e+00 0.00000e+00 0.00000e+00 1.62851e+01 221.901 2.38043e+01 41.901  0.7915 
1 1 1 12 11 55 o 17 3.25531e+01 9.95910e+00 8.33623e+01 198.968 -5.78170e+00 -1.98714e+00 0.00000e+00 0.00000e+00 1.56312e+01 18.968  9.89935e+01 18.968  0.9141 
1 1 1 12 11 56 o 6  5.06049e+01 1.11690e+01 6.56527e+01 103.981 -1.83166e+00 7.35692e+00  0.00000e+00 0.00000e+00 4.11308e+01 103.981 2.45219e+01 283.981 0.9315 
1 1 1 12 12 0  o 17 2.82517e+01 1.90029e+01 2.32844e+02 0.000   5.27545e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.97303e+02 180.000 4.30147e+02 180.000 0.4835 
1 1 1 12 12 1  o 3  3.20057e+01 1.91407e+01 1.07268e+02 90.000  3.24460e-17  5.29883e-01  0.00000e+00 0.00000e+00 6.68562e+01 270.000 1.74124e+02 270.000 0.4853 
1 1 1 12 12 2  o 10 4.46686e+01 2.11002e+01 5.79256e+01 0.000   3.92656e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.45059e+01 180.000 7.24316e+01 180.000 0.3736 
1 1 1 12 12 3  o 10 2.33544e+02 5.89662e+00 3.75144e+02 90.000  8.83949e-16  1.44360e+01  0.00000e+00 0.00000e+00 2.32288e+02 90.000  1.42855e+02 270.000 1.0000 
1 1 1 12 12 4  f 0  2.13047e+02 6.24420e+00 6.73322e+01 0.000   2.35427e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.76720e+02 0.000   4.09388e+02 0.000   0.9821 
1 1 1 12 12 5  o 6  2.68886e+01 1.73550e+01 2.55347e+01 90.000  -9.29467e-09 1.06319e-01  0.00000e+00 0.00000e+00 1.81322e+01 270.000 4.36669e+01 270.000 0.1059 
1 1 1 12 12 6  o 7  3.63867e+02 5.89663e+00 3.65263e+02 0.000   2.16427e+01  0.00000e+00  0.00000e+00 0.00000e+00 5.80028e+02 0.000   2.14764e+02 0.000   1.0000 
1 1 1 12 12 7  o 1  1.35215e+02 8.06004e+00 2.44371e+02 270.000 4.64802e-07  -5.31671e+00 0.00000e+00 0.00000e+00 1.06690e+02 270.000 1.37681e+02 90.000  1.0000 
1 1 1 12 12 8  o 8  2.03741e+02 6.00280e+00 2.44416e+02 0.000   9.45188e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.84244e+02 0.000   3.98283e+01 0.000   1.0000 
1 1 1 12 12 9  o 2  5.31356e+01 2.08747e+01 1.78917e+02 270.000 1.42692e-07  -1.63221e+00 0.00000e+00 0.00000e+00 5.12868e+01 90.000  2.30204e+02 90.000  0.9264 
1 1 1 12 12 10 o 4  9.42855e+01 1.07381e+01 1.59790e+02 180.000 -2.76372e+00 0.00000e+00  0.00000e+00 0.00000e+00 8.25444e+01 180.000 7.72460e+01 0.000   0.9921 
1 1 1 12 12 11 o 6  2.01043e+01 1.39704e+01 4.79424e+01 90.000  0.00000e+00  1.65318e-01  0.00000e+00 0.00000e+00 3.94171e+01 270.000 8.73595e+01 270.000 0.1638 
1 1 1 12 12 12 o 14 9.50972e+01 1.01232e+01 1.01020e+02 180.000 -1.66633e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.27934e+02 180.000 2.69137e+01 180.000 0.9311 
1 1 1 12 12 13 o 16 3.37481e+01 1.90257e+01 1.03462e+02 270.000 -3.47076e-17 -5.66817e-01 0.00000e+00 0.00000e+00 5.87412e+01 90.000  1.62204e+02 90.000  0.5130 
1 1 1 12 12 16 o 8  6.84139e+01 1.70470e+01 3.06929e+02 0.000   4.21239e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.30952e+02 180.000 4.37880e+02 180.000 0.9996 
1 1 1 12 12 17 o 1  1.86658e+02 6.63372e+00 2.64826e+02 90.000  0.00000e+00  1.04554e+01  0.00000e+00 0.00000e+00 2.14829e+02 90.000  4.99978e+01 270.000 1.0000 
1 1 1 12 12 18 o 8  1.25661e+02 7.82440e+00 1.33086e+02 180.000 -4.02249e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.89133e+02 180.000 5.60468e+01 180.000 0.9994 
1 1 1 12 12 19 o 7  8.48205e+01 1.05774e+01 1.02748e+02 270.000 -1.24759e-16 -2.03747e+00 0.00000e+00 0.00000e+00 1.07278e+02 270.000 4.53017e+00 270.000 0.9666 
1 1 1 12 12 20 o 17 1.02142e+02 8.86600e+00 1.56567e+02 180.000 -3.73280e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.04354e+02 180.000 5.22131e+01 0.000   0.9989 
1 1 1 12 12 21 o 11 4.46207e+01 1.90190e+01 1.02793e+02 270.000 8.51230e-08  -9.73694e-01 0.00000e+00 0.00000e+00 1.73220e+01 90.000  1.20115e+02 90.000  0.7503 
1 1 1 12 12 22 o 8  2.58201e+02 5.23046e+00 2.54134e+02 0.000   1.53575e+01  0.00000e+00  0.00000e+00 0.00000e+00 4.03808e+02 0.000   1.49674e+02 0.000   1.0000 
1 1 1 12 12 23 o 4  3.77234e+01 1.86525e+01 8.43929e+01 90.000  0.00000e+00  7.51088e-01  0.00000e+00 0.00000e+00 2.33947e+01 270.000 1.07788e+02 270.000 0.6358 
1 1 1 12 12 24 o 8  3.15166e+01 1.76714e+01 2.09077e+02 0.000   1.54836e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.36004e+02 180.000 3.45081e+02 180.000 0.9135 
1 1 1 12 12 25 o 2  2.46484e+01 1.57540e+01 6.47508e+01 90.000  -3.78640e-08 4.33113e-01  0.00000e+00 0.00000e+00 3.92854e+01 270.000 1.04036e+02 270.000 0.4079 
1 1 1 12 12 26 o 7  4.44055e+02 5.85703e+00 4.92359e+02 180.000 -5.90356e+01 0.00000e+00  0.00000e+00 0.00000e+00 6.29841e+02 180.000 1.37482e+02 180.000 1.0000 
1 1 1 12 12 27 o 11 1.51049e+02 7.15863e+00 4.48341e+01 270.000 0.00000e+00  -2.42462e+00 0.00000e+00 0.00000e+00 3.30099e+02 270.000 2.85265e+02 270.000 0.9845 
1 1 1 12 12 28 o 17 4.00032e+02 5.45103e+00 4.19710e+02 180.000 -5.96475e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.86538e+02 180.000 1.66828e+02 180.000 1.0000 
1 1 1 12 12 29 o 6  9.55648e+01 1.13263e+01 1.95171e+02 270.000 5.72674e-07  -6.55063e+00 0.00000e+00 0.00000e+00 4.46235e+01 270.000 1.50547e+02 90.000  1.0000 
1 1 1 12 12 30 o 2  4.36490e+01 2.28011e+01 1.46392e+01 180.000 -1.92007e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.08306e+00 180.000 8.55614e+00 0.000   0.1897 
1 1 1 12 12 31 o 2  3.25768e+01 1.94864e+01 3.22190e+01 90.000  0.00000e+00  3.35269e-01  0.00000e+00 0.00000e+00 5.93223e+00 270.000 3.81512e+01 270.000 0.3232 
1 1 1 12 12 32 o 6  3.01557e+01 1.93769e+01 6.07992e+01 180.000 -6.29811e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.89144e+01 0.000   7.97136e+01 0.000   0.5579 
1 1 1 12 12 33 o 19 2.54501e+02 7.19602e+00 2.92981e+02 270.000 2.48547e-06  -2.84304e+01 0.00000e+00 0.00000e+00 3.38827e+02 270.000 4.58467e+01 270.000 1.0000 
1 1 1 12 12 34 o 17 1.41304e+02 9.12383e+00 1.83038e+02 180.000 -1.21477e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.66743e+02 180.000 1.62949e+01 0.000   1.0000 
1 1 1 12 12 35 o 7  1.91984e+02 7.43342e+00 3.23603e+02 270.000 -1.60458e-15 -2.62048e+01 0.00000e+00 0.00000e+00 1.50216e+02 270.000 1.73387e+02 90.000  1.0000 
1 1 1 12 12 36 o 14 1.05012e+02 8.97489e+00 1.28491e+02 0.000   6.93409e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.29887e+02 0.000   1.39672e+00 0.000   1.0000 
1 1 1 12 12 37 o 19 1.01326e+02 9.25486e+00 9.70251e+01 90.000  -4.52539e-07 5.17644e+00  0.00000e+00 0.00000e+00 1.51485e+02 90.000  5.44602e+01 90.000  0.9999 
1 1 1 12 12 38 o 5  7.54145e+01 1.23228e+01 1.05289e+02 180.000 -3.80271e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.89017e+01 180.000 2.63874e+01 0.000   0.9990 
1 1 1 12 12 39 o 7  4.03072e+01 1.87994e+01 9.52383e+00 270.000 -1.15054e-17 -1.87898e-01 0.00000e+00 0.00000e+00 8.71677e+00 270.000 8.07059e-01 90.000  0.1857 
1 1 1 12 12 41 o 10 6.85008e+01 1.40047e+01 6.70607e+01 270.000 -1.80528e-16 -2.94825e+00 0.00000e+00 0.00000e+00 9.77987e+01 270.000 3.07380e+01 270.000 0.9945 
1 1 1 12 12 42 o 15 1.58753e+01 1.14724e+01 4.37772e+01 0.000   4.75084e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.68460e+01 180.000 7.06232e+01 180.000 0.4423 
1 1 1 12 12 43 o 12 1.19888e+02 8.38037e+00 9.58124e+01 270.000 0.00000e+00  -7.79815e+00 0.00000e+00 0.00000e+00 1.92216e+02 270.000 9.64031e+01 270.000 1.0000 
1 1 1 12 12 44 f 0  3.79614e+01 1.89504e+01 6.07418e+01 0.000   1.31976e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.80084e+01 0.000   4.27334e+01 180.000 0.8667 
1 1 1 12 12 45 o 6  2.94442e+01 1.82855e+01 5.78307e+00 270.000 9.86949e-09  -1.12894e-01 0.00000e+00 0.00000e+00 2.10901e+00 270.000 3.67406e+00 90.000  0.1124 
1 1 1 12 12 46 o 14 1.38615e+02 7.49491e+00 1.58065e+02 0.000   1.85127e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.71140e+02 0.000   1.30748e+01 0.000   1.0000 
1 1 1 12 12 47 o 5  4.07388e+01 1.91784e+01 8.72627e+01 270.000 2.19051e-07  -2.50565e+00 0.00000e+00 0.00000e+00 7.82733e+00 270.000 7.94354e+01 90.000  0.9868 
1 1 1 12 12 48 o 5  4.06961e+01 1.87167e+01 1.19162e+02 180.000 -3.40873e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.35010e+01 0.000   1.42663e+02 0.000   0.9978 
1 1 1 12 12 49 o 4  7.62243e+01 1.24763e+01 6.71872e+01 270.000 -2.60718e-16 -4.25785e+00 0.00000e+00 0.00000e+00 1.11559e+02 270.000 4.43716e+01 270.000 0.9996 
1 1 1 12 12 50 o 3  2.48030e+01 1.58597e+01 4.00268e+01 180.000 -8.72605e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.86289e-01 180.000 3.93405e+01 0.000   0.7027 
1 1 1 12 12 51 o 6  6.61843e+01 1.54959e+01 6.23868e+01 90.000  2.32374e-16  3.79496e+00  0.00000e+00 0.00000e+00 9.13882e+01 90.000  2.90013e+01 90.000  0.9990 
1 1 1 12 12 52 o 1  7.51355e+01 1.31120e+01 6.17898e+01 0.000   4.89382e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.12165e+02 0.000   5.03754e+01 0.000   0.9999 
1 1 1 12 12 53 o 14 3.61857e+01 1.88504e+01 3.46451e+01 270.000 1.00321e-07  -1.14754e+00 0.00000e+00 0.00000e+00 3.34944e+01 270.000 1.15063e+00 90.000  0.8169 
1 1 1 12 12 54 o 4  2.24275e+01 1.49362e+01 5.52200e+01 0.000   1.33353e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.04463e+01 180.000 6.56663e+01 180.000 0.8701 
1 1 1 13 0  1  o 6  4.68571e+02 5.24532e+00 5.69480e+02 135.000 -1.59926e+01 1.59926e+01  0.00000e+00 0.00000e+00 6.29210e+02 135.000 5.97302e+01 135.000 1.0000 
1 1 1 13 0  2  o 2  1.86094e+02 5.72678e+00 3.13856e+02 180.000 -4.93891e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.62097e+02 180.000 1.51759e+02 0.000   0.9999 
1 1 1 13 0  3  o 19 2.15645e+02 5.44282e+00 3.53965e+02 225.000 -4.55229e+00 -4.55229e+00 0.00000e+00 0.00000e+00 1.97502e+02 225.000 1.56463e+02 45.000  1.0000 
1 1 1 13 0  4  o 11 7.05971e+02 7.29917e+00 8.89620e+02 270.000 0.00000e+00  -5.26216e+01 0.00000e+00 0.00000e+00 9.15215e+02 270.000 2.55948e+01 270.000 1.0000 
1 1 1 13 0  5  o 16 1.31107e+02 7.68275e+00 3.44474e+02 315.000 2.66023e+00  -2.66023e+00 0.00000e+00 0.00000e+00 9.78816e+00 135.000 3.54263e+02 135.000 0.9989 
1 1 1 13 0  6  o 13 8.07981e+02 9.59644e+00 1.28476e+03 180.000 -7.28403e+01 0.00000e+00  0.00000e+00 0.00000e+00 7.79089e+02 180.000 5.05668e+02 0.000   1.0000 
1 1 1 13 0  7  o 10 6.69977e+02 7.59231e+00 7.99323e+02 45.000  2.64396e+01  2.64396e+01  0.00000e+00 0.00000e+00 9.11055e+02 45.000  1.11733e+02 45.000  1.0000 
1 1 1 13 0  8  o 1  7.17828e+02 8.78469e+00 8.09571e+02 270.000 -2.45751e-15 -4.01343e+01 0.00000e+00 0.00000e+00 1.02178e+03 270.000 2.12210e+02 270.000 1.0000 
1 1 1 13 0  9  o 2  7.37905e+02 8.13326e+00 8.84169e+02 135.000 -3.15652e+01 3.15652e+01  0.00000e+00 0.00000e+00 9.97025e+02 135.000 1.12856e+02 135.000 1.0000 
1 1 1 13 0  10 o 9  8.17956e+01 1.10601e+01 1.68735e+02 0.000   1.22923e+00  0.00000e+00  0.00000e+00 0.00000e+00 6.77531e+00 0.000   1.61960e+02 180.000 0.8424 
1 1 1 13 0  11 o 7  3.34721e+02 5.60026e+00 3.45991e+02 45.000  7.27193e+00  7.27193e+00  0.00000e+00 0.00000e+00 5.05866e+02 45.000  1.59874e+02 45.000  1.0000 
1 1 1 13 0  12 o 11 1.89611e+02 5.72370e+00 2.05851e+02 90.000  -2.98641e-07 3.41605e+00  0.00000e+00 0.00000e+00 2.75187e+02 90.000  6.93361e+01 90.000  0.9978 
1 1 1 13 0  13 o 9  9.09278e+02 8.93958e+00 1.17947e+03 315.000 6.25742e+01  -6.25742e+01 0.00000e+00 0.00000e+00 1.12983e+03 315.000 4.96429e+01 135.000 1.0000 
1 1 1 13 0  14 o 19 2.69700e+02 5.22756e+00 1.26440e+02 0.000   2.78309e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.52508e+02 0.000   4.26069e+02 0.000   0.9924 
1 1 1 13 0  15 o 19 7.59031e+02 7.72993e+00 7.67866e+02 225.000 -3.29464e+01 -3.29464e+01 0.00000e+00 0.00000e+00 1.15520e+03 225.000 3.87336e+02 225.000 1.0000 
1 1 1 13 0  16 o 3  7.15371e+02 7.39780e+00 9.67357e+02 90.000  -5.89713e-06 6.74553e+01  0.00000e+00 0.00000e+00 8.42674e+02 90.000  1.24684e+02 270.000 1.0000 
1 1 1 13 0  17 o 10 4.35139e+02 5.53528e+00 4.16161e+02 135.000 -1.22810e+01 1.22810e+01  0.00000e+00 0.00000e+00 6.83262e+02 135.000 2.67101e+02 135.000 1.0000 
1 1 1 13 0  18 o 18 1.82612e+02 6.51586e+00 2.56889e+02 180.000 -5.01624e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.03761e+02 180.000 5.31277e+01 0.000   0.9999 
1 1 1 13 0  19 o 7  2.81607e+02 4.91660e+00 2.18855e+02 225.000 -4.58499e+00 -4.58499e+00 0.00000e+00 0.00000e+00 4.90443e+02 225.000 2.71588e+02 225.000 1.0000 
1 1 1 13 0  20 o 3  3.01389e+02 4.93562e+00 6.13545e+02 90.000  -1.67882e-06 1.92034e+01  0.00000e+00 0.00000e+00 1.44307e+02 90.000  4.69239e+02 270.000 1.0000 
1 1 1 13 0  21 o 15 2.15185e+02 5.51479e+00 2.12667e+02 315.000 3.51536e+00  -3.51536e+00 0.00000e+00 0.00000e+00 3.27413e+02 315.000 1.14746e+02 315.000 0.9999 
1 1 1 13 0  22 o 11 2.40513e+02 5.09822e+00 1.91648e+02 180.000 -4.90320e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.10877e+02 180.000 2.19229e+02 180.000 0.9999 
1 1 1 13 0  24 o 7  1.27603e+02 7.55938e+00 1.37913e+02 270.000 -1.30049e-16 -2.12386e+00 0.00000e+00 0.00000e+00 1.71546e+02 270.000 3.36327e+01 270.000 0.9718 
1 1 1 13 0  25 o 19 1.80487e+02 5.82958e+00 1.33303e+02 315.000 2.01111e+00  -2.01111e+00 0.00000e+00 0.00000e+00 3.13120e+02 315.000 1.79817e+02 315.000 0.9933 
1 1 1 13 0  26 o 18 2.61531e+02 5.15163e+00 4.47777e+02 0.000   1.54926e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.02067e+02 0.000   2.45710e+02 180.000 1.0000 
1 1 1 13 0  27 o 11 3.31223e+02 5.13714e+00 4.54729e+02 45.000  1.46222e+01  1.46222e+01  0.00000e+00 0.00000e+00 3.66403e+02 45.000  8.83257e+01 225.000 1.0000 
1 1 1 13 0  28 o 3  8.13218e+01 1.12652e+01 3.32507e+01 90.000  2.55983e-17  4.18051e-01  0.00000e+00 0.00000e+00 4.62521e+01 90.000  1.30014e+01 90.000  0.3953 
1 1 1 13 0  29 f 0  1.45743e+02 7.12744e+00 1.19346e+02 135.000 -2.22047e+00 2.22047e+00  0.00000e+00 0.00000e+00 2.38880e+02 135.000 1.19534e+02 135.000 0.9963 
1 1 1 13 0  30 o 10 9.15270e+01 9.38820e+00 2.13639e+01 180.000 -3.41659e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.27294e+01 180.000 3.13655e+01 180.000 0.3290 
1 1 1 13 0  31 o 6  2.30597e+02 5.58774e+00 2.47050e+02 45.000  6.66214e+00  6.66214e+00  0.00000e+00 0.00000e+00 3.18929e+02 45.000  7.18795e+01 45.000  1.0000 
1 1 1 13 0  33 o 16 1.19993e+02 7.41831e+00 8.12350e+01 315.000 1.37526e+00  -1.37526e+00 0.00000e+00 0.00000e+00 1.99916e+02 315.000 1.18681e+02 315.000 0.9599 
1 1 1 13 0  34 o 9  1.09298e+02 7.94271e+00 3.97960e+01 180.000 -9.79013e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.60416e+02 180.000 1.20620e+02 180.000 0.7526 
1 1 1 13 0  35 o 6  2.15139e+02 5.76801e+00 1.52431e+02 45.000  5.14181e+00  5.14181e+00  0.00000e+00 0.00000e+00 3.69629e+02 45.000  2.17198e+02 45.000  1.0000 
1 1 1 13 0  36 o 13 6.50134e+01 1.38687e+01 5.46890e+01 270.000 0.00000e+00  -7.50552e-01 0.00000e+00 0.00000e+00 4.52590e+01 270.000 9.42992e+00 90.000  0.6355 
1 1 1 13 0  37 o 9  1.61906e+02 5.89624e+00 1.64168e+01 315.000 4.56788e-01  -4.56788e-01 0.00000e+00 0.00000e+00 2.05737e+02 315.000 1.89320e+02 315.000 0.5690 
1 1 1 13 0  38 o 1  1.56942e+02 6.09100e+00 8.97593e+01 0.000   3.63715e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.86976e+02 0.000   1.97216e+02 0.000   0.9986 
1 1 1 13 0  39 o 8  1.47225e+02 6.27482e+00 1.85046e+02 225.000 -6.58639e+00 -6.58639e+00 0.00000e+00 0.00000e+00 1.67678e+02 225.000 1.73677e+01 45.000  1.0000 
1 1 1 13 0  40 o 15 1.56242e+02 5.88846e+00 1.47968e+02 90.000  4.97675e-16  8.12766e+00  0.00000e+00 0.00000e+00 2.25087e+02 90.000  7.71189e+01 90.000  1.0000 
1 1 1 13 0  41 o 11 3.06048e+02 5.33924e+00 4.01136e+02 135.000 -3.04844e+01 3.04844e+01  0.00000e+00 0.00000e+00 3.27059e+02 135.000 7.40769e+01 315.000 1.0000 
1 1 1 13 0  42 o 17 2.03917e+01 1.37337e+01 5.73022e+01 180.000 -3.85055e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.95551e+01 0.000   9.68573e+01 0.000   0.3671 
1 1 1 13 0  43 o 7  1.81092e+02 5.99659e+00 2.17368e+02 45.000  1.02557e+01  1.02557e+01  0.00000e+00 0.00000e+00 2.10401e+02 45.000  6.96749e+00 225.000 1.0000 
1 1 1 13 0  44 o 6  1.01983e+02 7.58120e+00 1.45199e+02 90.000  0.00000e+00  6.74147e+00  0.00000e+00 0.00000e+00 9.47992e+01 90.000  5.04000e+01 270.000 1.0000 
1 1 1 13 0  45 o 4  2.86110e+02 6.02286e+00 4.14677e+02 315.000 3.38796e+01  -3.38796e+01 0.00000e+00 0.00000e+00 2.56052e+02 315.000 1.58625e+02 135.000 1.0000 
1 1 1 13 0  46 o 9  1.80980e+02 5.83300e+00 2.49430e+02 0.000   2.36688e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.73180e+02 0.000   7.62498e+01 180.000 1.0000 
1 1 1 13 0  47 o 18 2.63318e+01 1.57122e+01 4.85656e+01 45.000  3.97026e-01  3.97026e-01  0.00000e+00 0.00000e+00 1.73891e+01 225.000 6.59547e+01 225.000 0.5091 
1 1 1 13 0  48 o 11 2.21130e+02 5.42326e+00 2.36669e+02 270.000 2.64493e-06  -3.02544e+01 0.00000e+00 0.00000e+00 2.75526e+02 270.000 3.88572e+01 270.000 1.0000 
1 1 1 13 0  50 o 6  5.32913e+01 1.83924e+01 1.12442e+02 180.000 -3.34607e+00 0.00000e+00  0.00000e+00 0.00000e+00 9.65151e+00 180.000 1.02791e+02 0.000   0.9975 
1 1 1 13 0  51 o 19 7.03577e+01 1.45956e+01 1.40943e+02 225.000 -4.14335e+00 -4.14335e+00 0.00000e+00 0.00000e+00 1.99464e+01 225.000 1.20997e+02 45.000  1.0000 
1 1 1 13 0  52 o 15 2.04948e+01 1.33784e+01 8.57814e+01 270.000 9.70330e-08  -1.10993e+00 0.00000e+00 0.00000e+00 4.82658e+01 90.000  1.34047e+02 90.000  0.8040 
1 1 1 13 0  53 o 12 4.30516e+01 1.57814e+01 9.07431e+01 315.000 1.90566e+00  -1.90566e+00 0.00000e+00 0.00000e+00 5.94058e+00 315.000 8.48025e+01 135.000 0.9909 
1 1 1 13 0  54 o 3  3.13506e+01 1.58614e+01 6.33502e+01 0.000   1.35723e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.41366e+00 180.000 6.47638e+01 180.000 0.8757 
1 1 1 13 0  55 o 10 2.19545e+01 1.36987e+01 1.39849e+01 225.000 -1.73185e-01 -1.73185e-01 0.00000e+00 0.00000e+00 2.14733e+00 45.000  1.61322e+01 45.000  0.2401 
1 1 1 13 0  56 o 4  1.84091e+01 1.23440e+01 1.74660e+00 90.000  1.59941e-18  2.61204e-02  0.00000e+00 0.00000e+00 6.72329e-01 270.000 2.41893e+00 270.000 0.0261 
1 1 1 13 0  57 o 2  5.81265e+01 1.17447e+01 5.66578e+01 315.000 2.06417e+00  -2.06417e+00 0.00000e+00 0.00000e+00 7.18490e+01 315.000 1.51911e+01 315.000 0.9942 
1 1 1 13 0  58 o 10 7.96610e+01 1.04584e+01 1.21501e+02 180.000 -1.00012e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.47673e+01 180.000 6.67337e+01 0.000   1.0000 
1 1 1 13 0  59 o 6  3.53897e+01 1.45374e+01 7.29357e+01 225.000 -1.78940e+00 -1.78940e+00 0.00000e+00 0.00000e+00 3.99658e+00 225.000 6.89391e+01 45.000  0.9874 
1 1 1 13 0  60 o 19 2.08667e+01 1.45559e+01 1.98651e+01 270.000 -2.77979e-17 -4.53973e-01 0.00000e+00 0.00000e+00 4.33261e-01 90.000  2.02984e+01 90.000  0.4252 
1 1 1 13 0  61 o 3  1.59152e+02 8.98573e+00 1.55284e+02 135.000 -2.18733e+01 2.18733e+01  0.00000e+00 0.00000e+00 1.91494e+02 135.000 3.62107e+01 135.000 1.0000 
1 1 1 13 1  0  o 5  2.37127e+02 4.85326e+00 3.54714e+02 180.000 -7.11190e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.52013e+02 180.000 1.02701e+02 0.000   1.0000 
1 1 1 13 1  1  f 0  3.66984e+02 3.39764e+00 3.32331e+02 340.495 1.94300e+01  -6.88257e+00 0.00000e+00 0.00000e+00 5.83548e+02 340.495 2.51216e+02 340.495 0.9754 
1 1 1 13 1  2  o 19 9.83709e+01 5.64033e+00 1.11349e+02 353.901 1.82960e+00  -1.95480e-01 0.00000e+00 0.00000e+00 5.71762e+01 353.901 5.41733e+01 173.902 0.6697 
1 1 1 13 1  3  o 15 3.91634e+02 3.74442e+00 5.27705e+02 259.365 -6.41290e+00 -3.41517e+01 0.00000e+00 0.00000e+00 4.59443e+02 259.365 6.82612e+01 79.365  0.9855 
1 1 1 13 1  4  o 9  4.50962e+02 4.24035e+00 6.55006e+02 165.152 -4.77720e+01 1.26647e+01  0.00000e+00 0.00000e+00 4.86330e+02 165.152 1.68677e+02 345.152 0.9898 
1 1 1 13 1  5  f 0  2.80281e+02 3.90712e+00 4.21586e+02 343.764 1.60609e+01  -4.67717e+00 0.00000e+00 0.00000e+00 2.73030e+02 343.764 1.48555e+02 163.764 0.9696 
1 1 1 13 1  6  f 0  1.27348e+02 6.21355e+00 1.36499e+02 24.821  2.20897e+00  1.02165e+00  0.00000e+00 0.00000e+00 1.09973e+02 24.821  2.65255e+01 204.821 0.7576 
1 1 1 13 1  7  o 1  2.65009e+02 4.14759e+00 2.99799e+02 134.844 -7.81131e+00 7.85403e+00  0.00000e+00 0.00000e+00 3.45532e+02 134.844 4.57325e+01 134.844 0.9537 
1 1 1 13 1  8  o 16 2.80295e+02 4.36563e+00 2.16140e+02 350.586 8.25404e+00  -1.36844e+00 0.00000e+00 0.00000e+00 4.54852e+02 350.586 2.38712e+02 350.586 0.9382 
1 1 1 13 1  9  o 8  5.12268e+02 4.51353e+00 5.77470e+02 115.694 -1.75275e+01 3.64294e+01  0.00000e+00 0.00000e+00 7.12420e+02 115.694 1.34950e+02 115.694 0.9876 
1 1 1 13 1  10 o 5  5.97653e+02 4.94985e+00 6.24211e+02 224.934 -4.72591e+01 -4.71498e+01 0.00000e+00 0.00000e+00 8.86949e+02 224.934 2.62738e+02 224.934 0.9925 
1 1 1 13 1  11 o 18 8.61920e+01 7.16395e+00 7.81200e+01 52.732  7.15707e-01  9.40589e-01  0.00000e+00 0.00000e+00 3.31419e+01 52.732  4.49781e+01 232.732 0.5071 
1 1 1 13 1  12 o 3  9.47468e+01 6.53576e+00 4.24951e+01 93.566  -4.34268e-02 6.96763e-01  0.00000e+00 0.00000e+00 3.68618e+01 93.566  5.63327e+00 273.566 0.3294 
1 1 1 13 1  13 f 0  8.07654e+01 7.38161e+00 1.83642e+02 160.755 -2.29559e+00 8.01446e-01  0.00000e+00 0.00000e+00 2.82754e+01 340.755 2.11917e+02 340.755 0.7573 
1 1 1 13 1  14 o 10 2.59655e+02 3.93649e+00 3.44526e+02 141.201 -1.13353e+01 9.11345e+00  0.00000e+00 0.00000e+00 2.91182e+02 141.201 5.33437e+01 321.201 0.9650 
1 1 1 13 1  15 o 19 2.89935e+02 3.89567e+00 3.40327e+02 261.999 -2.72587e+00 -1.93926e+01 0.00000e+00 0.00000e+00 3.75342e+02 261.999 3.50157e+01 261.999 0.9741 
1 1 1 13 1  16 o 2  2.58893e+02 3.71919e+00 3.19040e+02 106.306 -4.52069e+00 1.54533e+01  0.00000e+00 0.00000e+00 3.15422e+02 106.306 3.61801e+00 286.306 0.9684 
1 1 1 13 1  17 o 7  2.25403e+02 3.71834e+00 3.31588e+02 354.825 1.42354e+01  -1.28923e+00 0.00000e+00 0.00000e+00 2.17696e+02 354.825 1.13892e+02 174.825 0.9644 
1 1 1 13 1  18 o 1  4.48629e+02 3.85971e+00 4.08823e+02 15.816  3.76933e+01  1.06778e+01  0.00000e+00 0.00000e+00 7.08592e+02 15.816  2.99769e+02 15.816  0.9872 
1 1 1 13 1  19 o 19 6.84608e+02 5.10879e+00 7.28472e+02 306.291 6.21978e+01  -8.46994e+01 0.00000e+00 0.00000e+00 9.87913e+02 306.291 2.59441e+02 306.291 0.9952 
1 1 1 13 1  20 o 4  7.16768e+01 8.22859e+00 6.17224e+01 133.290 -6.19140e-01 6.57250e-01  0.00000e+00 0.00000e+00 1.23543e+01 133.290 4.93682e+01 313.290 0.4109 
1 1 1 13 1  21 o 8  6.38126e+02 4.53023e+00 6.81613e+02 177.615 -9.40101e+01 3.91533e+00  0.00000e+00 0.00000e+00 9.11830e+02 177.615 2.30217e+02 177.615 0.9947 
1 1 1 13 1  22 o 16 3.46222e+02 3.61689e+00 4.47375e+02 92.900  -1.66217e+00 3.28161e+01  0.00000e+00 0.00000e+00 4.06880e+02 92.900  4.04941e+01 272.900 0.9847 
1 1 1 13 1  24 o 14 1.15207e+02 5.43912e+00 2.63136e+02 91.555  -1.97950e-01 7.29150e+00  0.00000e+00 0.00000e+00 3.89749e+00 91.555  2.59239e+02 271.555 0.9287 
1 1 1 13 1  25 o 18 3.09279e+01 9.52865e+00 3.06036e+01 251.229 -7.02861e-02 -2.06803e-01 0.00000e+00 0.00000e+00 2.22410e+01 71.229  5.28446e+01 71.229  0.1086 
1 1 1 13 1  26 o 9  5.38570e+02 4.12847e+00 6.31334e+02 264.664 -8.33309e+00 -8.92256e+01 0.00000e+00 0.00000e+00 6.99590e+02 264.664 6.82556e+01 264.664 0.9944 
1 1 1 13 1  28 o 17 2.93957e+02 3.70713e+00 3.89239e+02 352.839 3.56950e+01  -4.48470e+00 0.00000e+00 0.00000e+00 3.27708e+02 352.839 6.15313e+01 172.839 0.9860 
1 1 1 13 1  29 o 4  1.36233e+02 4.98792e+00 8.60867e+01 323.592 3.40082e+00  -2.50799e+00 0.00000e+00 0.00000e+00 2.06928e+02 323.592 1.20841e+02 323.592 0.8717 
1 1 1 13 1  30 o 3  2.47697e+02 3.70464e+00 1.46357e+02 358.087 1.22770e+01  -4.10036e-01 0.00000e+00 0.00000e+00 4.37913e+02 358.087 2.91556e+02 358.087 0.9584 
1 1 1 13 1  31 o 6  1.71479e+02 4.98314e+00 1.55508e+02 40.130  6.70322e+00  5.65056e+00  0.00000e+00 0.00000e+00 2.40643e+02 40.130  8.51354e+01 40.130  0.9411 
1 1 1 13 1  32 o 8  3.29030e+02 1.23495e+01 2.46055e+02 282.069 5.96517e+00  -2.78978e+01 0.00000e+00 0.00000e+00 5.45197e+02 282.069 2.99142e+02 282.069 0.9823 
1 1 1 13 1  33 o 13 2.06775e+02 3.98272e+00 2.14020e+02 171.159 -1.75121e+01 2.72399e+00  0.00000e+00 0.00000e+00 2.76313e+02 171.159 6.22937e+01 171.159 0.9714 
1 1 1 13 1  34 o 11 2.00414e+02 4.08461e+00 2.42728e+02 182.073 -2.20213e+01 -7.97039e-01 0.00000e+00 0.00000e+00 2.33918e+02 182.073 8.81034e+00 2.073   0.9770 
1 1 1 13 1  35 o 11 1.03108e+02 5.92208e+00 7.91063e+01 222.235 -2.64651e+00 -2.40265e+00 0.00000e+00 0.00000e+00 1.32321e+02 222.235 5.32144e+01 222.235 0.8449 
1 1 1 13 1  36 o 14 5.07484e+01 1.03166e+01 9.51367e+01 265.972 -1.42149e-01 -2.01884e+00 0.00000e+00 0.00000e+00 8.98264e+00 85.972  1.04119e+02 85.972  0.7017 
1 1 1 13 1  37 o 12 3.07827e+02 3.56421e+00 3.32498e+02 2.856   5.78444e+01  2.88545e+00  0.00000e+00 0.00000e+00 4.03521e+02 2.856   7.10226e+01 2.856   0.9913 
1 1 1 13 1  38 o 10 9.40404e+01 6.51913e+00 7.18704e+01 211.943 -2.91282e+00 -1.81612e+00 0.00000e+00 0.00000e+00 1.17478e+02 211.943 4.56078e+01 211.943 0.8375 
1 1 1 13 1  39 o 4  1.65410e+02 4.17462e+00 2.28091e+02 340.219 2.42806e+01  -8.73234e+00 0.00000e+00 0.00000e+00 1.60502e+02 340.219 6.75893e+01 160.219 0.9804 
1 1 1 13 1  40 o 16 1.29358e+02 4.79259e+00 1.39931e+02 105.222 -3.32030e+00 1.22026e+01  0.00000e+00 0.00000e+00 1.56502e+02 105.222 1.65711e+01 105.222 0.9596 
1 1 1 13 1  41 o 2  9.09016e+01 6.58668e+00 1.25334e+02 48.936  5.12334e+00  5.88042e+00  0.00000e+00 0.00000e+00 7.65973e+01 48.936  4.87371e+01 228.936 0.9335 
1 1 1 13 1  42 o 15 1.44585e+02 4.51865e+00 2.09587e+02 217.537 -1.67805e+01 -1.28934e+01 0.00000e+00 0.00000e+00 1.25050e+02 217.537 8.45364e+01 37.537  0.9761 
1 1 1 13 1  43 o 16 2.12541e+02 4.02613e+00 2.49525e+02 214.705 -3.21279e+01 -2.22503e+01 0.00000e+00 0.00000e+00 2.46138e+02 214.705 3.38703e+00 34.705  0.9871 
1 1 1 13 1  44 o 19 3.73986e+01 1.00676e+01 6.18997e+01 307.665 1.19339e+00  -1.54604e+00 0.00000e+00 0.00000e+00 1.17132e+00 127.665 6.30711e+01 127.665 0.6899 
1 1 1 13 1  45 o 13 2.03995e+02 5.21692e+00 2.60752e+02 325.832 3.51918e+01  -2.38876e+01 0.00000e+00 0.00000e+00 2.11887e+02 325.832 4.88652e+01 145.832 0.9882 
1 1 1 13 1  46 o 18 1.71740e+02 4.05936e+00 2.05461e+02 93.818  -2.46195e+00 3.68912e+01  0.00000e+00 0.00000e+00 1.90168e+02 93.818  1.52929e+01 273.818 0.9864 
1 1 1 13 1  47 o 5  5.27699e+01 9.58619e+00 2.10753e+00 240.160 -5.01444e-02 -8.74152e-02 0.00000e+00 0.00000e+00 4.06968e+00 240.160 1.96215e+00 240.160 0.0503 
1 1 1 13 1  48 o 6  1.53858e+02 4.11398e+00 1.77728e+02 192.492 -3.07352e+01 -6.80937e+00 0.00000e+00 0.00000e+00 1.72990e+02 192.492 4.73769e+00 12.492  0.9840 
1 1 1 13 1  50 o 2  9.24263e+01 6.47704e+00 9.70692e+01 236.819 -6.54451e+00 -1.00081e+01 0.00000e+00 0.00000e+00 1.06161e+02 236.819 9.09148e+00 236.819 0.9572 
1 1 1 13 1  51 o 5  1.65758e+02 4.43063e+00 1.51443e+02 94.677  -2.73720e+00 3.34591e+01  0.00000e+00 0.00000e+00 2.21973e+02 94.677  7.05299e+01 94.677  0.9850 
1 1 1 13 1  52 o 3  6.28022e+01 8.93050e+00 1.04576e+02 65.625  3.46711e+00  7.65209e+00  0.00000e+00 0.00000e+00 2.96202e+01 65.625  7.49556e+01 245.625 0.9384 
1 1 1 13 1  53 o 11 7.05195e+01 8.61150e+00 4.79310e+01 250.394 -1.69679e+00 -4.76355e+00 0.00000e+00 0.00000e+00 9.50787e+01 250.394 4.71478e+01 250.394 0.8947 
1 1 1 13 1  54 o 12 6.26788e+01 7.69230e+00 7.57605e+01 345.829 6.90967e+00  -1.74475e+00 0.00000e+00 0.00000e+00 5.53223e+01 345.829 2.04382e+01 165.829 0.9269 
1 1 1 13 1  55 f 0  1.33624e+02 4.21779e+00 1.71288e+02 356.136 4.21297e+01  -2.84546e+00 0.00000e+00 0.00000e+00 1.25208e+02 356.136 4.60801e+01 176.136 0.9881 
1 1 1 13 1  56 o 7  4.19443e+01 8.81169e+00 1.30558e+01 159.654 -8.31182e-01 3.08225e-01  0.00000e+00 0.00000e+00 2.48843e+01 159.654 1.18285e+01 159.654 0.4047 
1 1 1 13 1  57 o 1  8.71946e+01 8.69182e+00 1.26090e+02 131.537 -1.27467e+01 1.43887e+01  0.00000e+00 0.00000e+00 6.27219e+01 131.537 6.33678e+01 311.537 0.9736 
1 1 1 13 1  58 o 2  9.08692e+01 8.77105e+00 7.42919e+01 38.568  1.03706e+01  8.26925e+00  0.00000e+00 0.00000e+00 1.19070e+02 38.568  4.47779e+01 38.568  0.9615 
1 1 1 13 1  59 o 19 4.51041e+01 1.01040e+01 6.30378e+01 250.628 -1.86207e+00 -5.29587e+00 0.00000e+00 0.00000e+00 2.69320e+01 250.628 3.61058e+01 70.628  0.9059 
1 1 1 13 1  60 o 12 3.49501e+01 8.92818e+00 1.91770e+01 111.176 -5.65431e-01 1.45962e+00  0.00000e+00 0.00000e+00 2.76692e+01 111.176 8.49217e+00 111.176 0.6119 
1 1 1 13 1  61 o 7  5.74069e+01 8.24389e+00 3.73486e+01 122.237 -2.66047e+00 4.21868e+00  0.00000e+00 0.00000e+00 7.43795e+01 122.237 3.70309e+01 122.237 0.8931 
1 1 1 13 2  0  o 19 1.11194e+02 7.80748e+00 5.36001e+01 180.000 -4.96824e-01 0.00000e+00  0.00000e+00 0.00000e+00 7.72202e+01 180.000 2.36201e+01 180.000 0.4596 
1 1 1 13 2  1  o 19 5.02333e+02 4.10783e+00 5.86290e+02 139.553 -3.74533e+01 3.19282e+01  0.00000e+00 0.00000e+00 6.86371e+02 139.553 1.00081e+02 139.553 0.9898 
1 1 1 13 2  2  o 10 2.40346e+02 3.73183e+00 5.54498e+02 65.205  7.93048e+00  1.71669e+01  0.00000e+00 0.00000e+00 4.41290e+01 65.205  5.10369e+02 245.205 0.9732 
1 1 1 13 2  3  o 3  3.10750e+02 3.65241e+00 5.01505e+02 213.954 -1.82868e+01 -1.23132e+01 0.00000e+00 0.00000e+00 2.75381e+02 213.954 2.26124e+02 33.954  0.9771 
1 1 1 13 2  4  o 16 3.51835e+02 3.97711e+00 5.25084e+02 210.076 -2.25069e+01 -1.30343e+01 0.00000e+00 0.00000e+00 3.57428e+02 210.076 1.67657e+02 30.076  0.9806 
1 1 1 13 2  5  o 14 2.39277e+02 4.69067e+00 2.39216e+02 225.250 -5.63533e+00 -5.68476e+00 0.00000e+00 0.00000e+00 3.33012e+02 225.250 9.37959e+01 225.250 0.9353 
1 1 1 13 2  6  o 15 6.02759e+02 5.78788e+00 6.60546e+02 50.500  3.51059e+01  4.25872e+01  0.00000e+00 0.00000e+00 8.65952e+02 50.500  2.05406e+02 50.500  0.9909 
1 1 1 13 2  7  o 16 3.83069e+02 5.10125e+00 4.44559e+02 335.600 2.13569e+01  -9.68783e+00 0.00000e+00 0.00000e+00 5.12837e+02 335.600 6.82782e+01 335.600 0.9784 
1 1 1 13 2  8  o 17 5.20954e+02 4.97766e+00 8.05218e+02 26.092  5.14241e+01  2.51838e+01  0.00000e+00 0.00000e+00 5.12954e+02 26.092  2.92264e+02 206.092 0.9912 
1 1 1 13 2  9  o 18 1.21670e+02 6.20738e+00 2.08440e+02 219.007 -3.51795e+00 -2.84945e+00 0.00000e+00 0.00000e+00 6.50251e+01 219.007 1.43415e+02 39.007  0.8811 
1 1 1 13 2  10 o 17 3.16009e+02 3.73591e+00 4.24751e+02 178.810 -2.38027e+01 4.94447e-01  0.00000e+00 0.00000e+00 3.63570e+02 178.810 6.11808e+01 358.810 0.9788 
1 1 1 13 2  11 o 9  2.21759e+02 4.10530e+00 2.74560e+02 357.538 1.06424e+01  -4.57513e-01 0.00000e+00 0.00000e+00 2.62936e+02 357.538 1.16234e+01 177.538 0.9518 
1 1 1 13 2  12 o 19 1.63483e+02 4.40688e+00 1.90786e+02 263.854 -5.53917e-01 -5.14415e+00 0.00000e+00 0.00000e+00 1.82373e+02 263.854 8.41226e+00 83.854  0.8973 
1 1 1 13 2  13 o 5  3.23178e+02 3.67808e+00 5.65145e+02 285.237 7.85149e+00  -2.88249e+01 0.00000e+00 0.00000e+00 2.42236e+02 285.237 3.22909e+02 105.237 0.9831 
1 1 1 13 2  14 f 0  2.65940e+02 3.79133e+00 2.82458e+02 47.995  8.08882e+00  8.98182e+00  0.00000e+00 0.00000e+00 3.63996e+02 47.995  8.15381e+01 47.995  0.9577 
1 1 1 13 2  15 o 2  5.35020e+02 4.30700e+00 5.74901e+02 164.542 -5.81770e+01 1.60878e+01  0.00000e+00 0.00000e+00 7.70105e+02 164.542 1.95204e+02 164.542 0.9917 
1 1 1 13 2  16 o 7  2.27647e+02 3.78182e+00 2.69047e+02 120.633 -6.02094e+00 1.01674e+01  0.00000e+00 0.00000e+00 2.82320e+02 120.633 1.32727e+01 120.633 0.9567 
1 1 1 13 2  17 o 5  1.53625e+02 4.65829e+00 2.56791e+02 327.491 7.15732e+00  -4.56133e+00 0.00000e+00 0.00000e+00 1.07925e+02 327.491 1.48866e+02 147.491 0.9391 
1 1 1 13 2  18 o 16 2.45339e+02 3.69367e+00 2.91157e+02 356.758 1.51062e+01  -8.55596e-01 0.00000e+00 0.00000e+00 3.07305e+02 356.758 1.61486e+01 356.758 0.9664 
1 1 1 13 2  19 o 18 4.21489e+02 4.04116e+00 4.21626e+02 193.870 -3.61020e+01 -8.91427e+00 0.00000e+00 0.00000e+00 6.26226e+02 193.870 2.04600e+02 193.870 0.9865 
1 1 1 13 2  20 o 10 1.14305e+02 5.69387e+00 1.91331e+02 238.509 -2.33126e+00 -3.80556e+00 0.00000e+00 0.00000e+00 6.15229e+01 238.509 1.29808e+02 58.509  0.8792 
1 1 1 13 2  21 o 5  1.12421e+02 5.54568e+00 2.20952e+02 186.973 -5.27301e+00 -6.44876e-01 0.00000e+00 0.00000e+00 3.32035e+01 186.973 1.87748e+02 6.973   0.9002 
1 1 1 13 2  22 o 13 4.79158e+02 4.27272e+00 4.55544e+02 220.427 -3.88157e+01 -3.30660e+01 0.00000e+00 0.00000e+00 7.33800e+02 220.427 2.78256e+02 220.427 0.9901 
1 1 1 13 2  23 o 8  1.85871e+02 4.16091e+00 2.70083e+02 41.990  8.53273e+00  7.68022e+00  0.00000e+00 0.00000e+00 1.74227e+02 41.990  9.58563e+01 221.990 0.9554 
1 1 1 13 2  24 f 0  2.35189e+02 3.75903e+00 3.49421e+02 66.693  7.79305e+00  1.80895e+01  0.00000e+00 0.00000e+00 2.22722e+02 66.693  1.26699e+02 246.693 0.9743 
1 1 1 13 2  25 o 13 2.22901e+02 3.84413e+00 2.50403e+02 200.881 -1.39760e+01 -5.33165e+00 0.00000e+00 0.00000e+00 2.86091e+02 200.881 3.56884e+01 200.881 0.9660 
1 1 1 13 2  26 o 4  3.38846e+02 3.69326e+00 3.07202e+02 337.726 2.52143e+01  -1.03280e+01 0.00000e+00 0.00000e+00 5.19624e+02 337.726 2.12422e+02 337.726 0.9815 
1 1 1 13 2  28 o 11 5.13259e+02 4.33053e+00 5.96851e+02 231.212 -5.97778e+01 -7.43798e+01 0.00000e+00 0.00000e+00 6.66601e+02 231.212 6.97495e+01 231.212 0.9947 
1 1 1 13 2  29 o 3  2.80230e+02 3.78628e+00 2.66734e+02 95.580  -2.61241e+00 2.67404e+01  0.00000e+00 0.00000e+00 4.12031e+02 95.580  1.45297e+02 95.580  0.9812 
1 1 1 13 2  30 o 15 9.58417e+01 6.83100e+00 1.84397e+02 71.609  1.85064e+00  5.56627e+00  0.00000e+00 0.00000e+00 3.04053e+01 71.609  1.53992e+02 251.609 0.9102 
1 1 1 13 2  32 o 4  1.37670e+02 5.17123e+00 1.35479e+02 39.316  5.85693e+00  4.79662e+00  0.00000e+00 0.00000e+00 1.78563e+02 39.316  4.30846e+01 39.316  0.9314 
1 1 1 13 2  33 o 3  4.06230e+02 4.04906e+00 5.00973e+02 22.537  8.67205e+01  3.59872e+01  0.00000e+00 0.00000e+00 4.85858e+02 22.537  1.51154e+01 202.537 0.9947 
1 1 1 13 2  34 o 3  3.05264e+02 3.88813e+00 2.84711e+02 344.217 3.77801e+01  -1.06788e+01 0.00000e+00 0.00000e+00 4.49148e+02 344.217 1.64438e+02 344.217 0.9872 
1 1 1 13 2  35 o 16 5.95732e+01 1.03833e+01 3.50977e+01 172.924 -8.85911e-01 1.09962e-01  0.00000e+00 0.00000e+00 2.37845e+01 172.924 1.13133e+01 352.924 0.4071 
1 1 1 13 2  36 o 16 5.47945e+01 1.04870e+01 1.41061e+02 161.669 -3.43987e+00 1.13971e+00  0.00000e+00 0.00000e+00 2.86783e+01 341.669 1.69739e+02 341.669 0.8473 
1 1 1 13 2  37 o 19 4.18335e+02 4.09979e+00 4.16450e+02 225.370 -6.86865e+01 -6.95802e+01 0.00000e+00 0.00000e+00 5.87800e+02 225.370 1.71350e+02 225.370 0.9949 
1 1 1 13 2  38 o 3  1.56167e+02 4.48997e+00 1.80578e+02 257.858 -3.03698e+00 -1.41163e+01 0.00000e+00 0.00000e+00 1.81780e+02 257.858 1.20180e+00 257.858 0.9647 
1 1 1 13 2  39 o 15 1.86792e+02 4.02008e+00 1.91462e+02 144.564 -1.98485e+01 1.41243e+01  0.00000e+00 0.00000e+00 2.47025e+02 144.564 5.55628e+01 144.564 0.9793 
1 1 1 13 2  40 o 6  4.81473e+01 1.01447e+01 7.25848e+01 221.547 -1.70495e+00 -1.51092e+00 0.00000e+00 0.00000e+00 1.23669e+01 221.547 6.02179e+01 41.547  0.7385 
1 1 1 13 2  41 o 2  5.70943e+01 9.75316e+00 1.04185e+02 45.285  2.73661e+00  2.76397e+00  0.00000e+00 0.00000e+00 1.25926e+01 45.285  9.15926e+01 225.285 0.8591 
1 1 1 13 2  42 o 2  2.81717e+02 3.72960e+00 3.04072e+02 145.799 -5.48090e+01 3.72495e+01  0.00000e+00 0.00000e+00 3.59155e+02 145.799 5.50834e+01 145.799 0.9924 
1 1 1 13 2  43 o 1  6.99004e+01 8.88718e+00 1.35633e+02 356.928 6.58512e+00  -3.53361e-01 0.00000e+00 0.00000e+00 1.64776e+01 356.928 1.19155e+02 176.928 0.9207 
1 1 1 13 2  44 o 12 1.59833e+02 4.24514e+00 1.24522e+02 93.846  -1.22257e+00 1.81856e+01  0.00000e+00 0.00000e+00 2.41356e+02 93.846  1.16834e+02 93.846  0.9722 
1 1 1 13 2  45 o 15 7.41659e+01 7.58508e+00 9.83010e+01 251.219 -2.28025e+00 -6.70535e+00 0.00000e+00 0.00000e+00 6.28685e+01 251.219 3.54325e+01 71.219  0.9264 
1 1 1 13 2  46 o 18 1.66442e+02 4.34418e+00 1.98366e+02 217.902 -2.71017e+01 -2.10996e+01 0.00000e+00 0.00000e+00 1.84814e+02 217.902 1.35525e+01 37.902  0.9853 
1 1 1 13 2  47 o 7  2.98720e+01 9.23372e+00 3.85371e+01 333.268 9.34484e-01  -4.70645e-01 0.00000e+00 0.00000e+00 6.38229e+00 153.268 4.49194e+01 153.268 0.4626 
1 1 1 13 2  48 o 12 1.27051e+02 6.37651e+00 2.08857e+02 48.774  2.09897e+01  2.39546e+01  0.00000e+00 0.00000e+00 8.09341e+01 48.774  1.27923e+02 228.774 0.9842 
1 1 1 13 2  49 o 10 6.49334e+01 2.14480e+01 4.93628e+01 136.750 -1.50482e+00 1.41560e+00  0.00000e+00 0.00000e+00 5.67861e+01 136.750 7.42331e+00 136.750 0.7083 
1 1 1 13 2  50 o 8  6.16435e+01 9.84800e+00 5.89965e+01 161.550 -4.35363e+00 1.45252e+00  0.00000e+00 0.00000e+00 6.60763e+01 161.550 7.07982e+00 161.550 0.8829 
1 1 1 13 2  51 o 2  3.74174e+01 9.57721e+00 5.72318e+01 36.254  2.07302e+00  1.52020e+00  0.00000e+00 0.00000e+00 8.90234e+00 36.254  4.83294e+01 216.254 0.7725 
1 1 1 13 2  52 o 9  8.11767e+01 6.24459e+00 1.25651e+02 281.398 2.86639e+00  -1.42187e+01 0.00000e+00 0.00000e+00 5.27715e+01 281.398 7.28790e+01 101.398 0.9649 
1 1 1 13 2  53 o 11 1.01139e+02 5.18651e+00 1.12490e+02 357.418 1.84209e+01  -8.30745e-01 0.00000e+00 0.00000e+00 1.10548e+02 357.418 1.94133e+00 177.418 0.9725 
1 1 1 13 2  54 o 18 4.72800e+01 1.00100e+01 3.52548e+01 358.638 2.33111e+00  -5.54128e-02 0.00000e+00 0.00000e+00 4.42932e+01 358.638 9.03844e+00 358.638 0.7454 
1 1 1 13 2  55 o 8  2.83468e+01 9.01471e+00 2.93158e+01 79.320  2.50354e-01  1.32744e+00  0.00000e+00 0.00000e+00 6.15874e+00 79.320  2.31571e+01 259.320 0.5570 
1 1 1 13 2  56 o 8  3.58170e+01 9.29920e+00 1.78525e+01 71.923  3.15191e-01  9.65651e-01  0.00000e+00 0.00000e+00 1.83413e+01 71.923  4.88833e-01 71.923  0.4520 
1 1 1 13 2  57 o 12 3.54944e+01 9.99881e+00 3.78621e+01 183.978 -2.42223e+00 -1.68435e-01 0.00000e+00 0.00000e+00 2.19175e+01 183.978 1.59446e+01 3.978   0.7569 
1 1 1 13 2  58 o 16 4.68377e+01 1.00266e+01 2.51811e+01 20.765  2.05558e+00  7.79396e-01  0.00000e+00 0.00000e+00 5.02908e+01 20.765  2.51097e+01 20.765  0.7278 
1 1 1 13 2  59 o 4  1.46441e+02 6.17570e+00 1.13795e+02 222.142 -2.82534e+01 -2.55663e+01 0.00000e+00 0.00000e+00 2.04530e+02 222.142 9.07355e+01 222.142 0.9868 
1 1 1 13 2  60 o 8  5.03624e+01 1.22224e+01 6.66989e+01 79.886  1.16676e+00  6.54058e+00  0.00000e+00 0.00000e+00 3.49901e+01 79.886  3.17088e+01 259.886 0.9213 
1 1 1 13 2  61 o 2  5.74565e+01 1.00413e+01 6.88616e+01 317.650 7.00720e+00  -6.38718e+00 0.00000e+00 0.00000e+00 4.96002e+01 317.650 1.92615e+01 137.650 0.9457 
1 1 1 13 3  0  o 17 6.92721e+02 7.71454e+00 1.02378e+03 0.000   4.93826e+01  0.00000e+00  0.00000e+00 0.00000e+00 7.50669e+02 0.000   2.73115e+02 180.000 1.0000 
1 1 1 13 3  1  o 16 3.47499e+02 3.87536e+00 3.89395e+02 3.597   1.88453e+01  1.18453e+00  0.00000e+00 0.00000e+00 4.76809e+02 3.597   8.74133e+01 3.597   0.9731 
1 1 1 13 3  2  o 15 2.88632e+02 3.72529e+00 4.96421e+02 330.586 1.73885e+01  -9.80360e+00 0.00000e+00 0.00000e+00 2.24041e+02 330.586 2.72379e+02 150.586 0.9746 
1 1 1 13 3  3  o 11 1.22622e+02 5.50669e+00 1.54705e+02 50.149  1.68343e+00  2.01689e+00  0.00000e+00 0.00000e+00 8.96192e+01 50.149  6.50857e+01 230.149 0.7781 
1 1 1 13 3  4  o 2  4.00207e+02 4.26290e+00 3.11971e+02 73.824  4.80688e+00  1.65711e+01  0.00000e+00 0.00000e+00 6.82336e+02 73.824  3.70365e+02 73.824  0.9706 
1 1 1 13 3  5  o 8  5.32640e+01 1.13102e+01 9.52561e+01 258.388 -1.37706e-01 -6.70160e-01 0.00000e+00 0.00000e+00 5.11640e+01 78.388  1.46420e+02 78.388  0.3235 
1 1 1 13 3  6  o 5  2.30325e+02 4.76304e+00 3.85407e+02 12.455  1.18261e+01  2.61202e+00  0.00000e+00 0.00000e+00 1.78801e+02 12.455  2.06607e+02 192.455 0.9578 
1 1 1 13 3  7  o 9  2.69455e+02 4.66616e+00 2.26475e+02 263.900 -1.16375e+00 -1.08898e+01 0.00000e+00 0.00000e+00 4.30055e+02 263.900 2.03581e+02 263.900 0.9532 
1 1 1 13 3  8  o 18 3.01519e+02 4.00308e+00 3.85834e+02 164.097 -1.99159e+01 5.67434e+00  0.00000e+00 0.00000e+00 3.65565e+02 164.097 2.02693e+01 344.097 0.9755 
1 1 1 13 3  9  o 12 5.82613e+02 4.96896e+00 5.77823e+02 235.107 -3.38518e+01 -4.85377e+01 0.00000e+00 0.00000e+00 8.96755e+02 235.107 3.18932e+02 235.107 0.9915 
1 1 1 13 3  10 o 8  5.91920e+01 1.06083e+01 1.09383e+02 56.833  6.03653e-01  9.23623e-01  0.00000e+00 0.00000e+00 3.66402e+01 236.833 1.46023e+02 236.833 0.4818 
1 1 1 13 3  11 o 9  4.92828e+02 4.28509e+00 6.06499e+02 325.395 4.06571e+01  -2.80523e+01 0.00000e+00 0.00000e+00 6.36563e+02 325.395 3.00640e+01 325.395 0.9898 
1 1 1 13 3  12 o 1  5.79662e+01 1.01086e+01 1.81893e+02 109.280 -5.57651e-01 1.59420e+00  0.00000e+00 0.00000e+00 8.75272e+01 289.280 2.69420e+02 289.280 0.6395 
1 1 1 13 3  13 o 12 2.58173e+02 3.93163e+00 2.76311e+02 260.025 -1.98503e+00 -1.12869e+01 0.00000e+00 0.00000e+00 3.50881e+02 260.025 7.45699e+01 260.025 0.9553 
1 1 1 13 3  14 o 7  3.23126e+02 3.66610e+00 5.70492e+02 173.297 -3.59661e+01 4.22701e+00  0.00000e+00 0.00000e+00 2.38838e+02 173.297 3.31655e+02 353.297 0.9861 
1 1 1 13 3  15 f 0  7.25558e+02 5.31715e+00 9.01569e+02 159.693 -1.18071e+02 4.36930e+01  0.00000e+00 0.00000e+00 9.31723e+02 159.693 3.01540e+01 159.693 0.9960 
1 1 1 13 3  16 o 8  9.20708e+01 6.85269e+00 1.40153e+02 261.856 -3.91413e-01 -2.73520e+00 0.00000e+00 0.00000e+00 4.43098e+01 261.856 9.58437e+01 81.856  0.7908 
1 1 1 13 3  17 o 18 3.59264e+02 3.90908e+00 3.14094e+02 10.843  2.35386e+01  4.50841e+00  0.00000e+00 0.00000e+00 5.75616e+02 10.843  2.61522e+02 10.843  0.9789 
1 1 1 13 3  18 o 12 7.10156e+01 8.98530e+00 2.30596e+02 71.154  1.09300e+00  3.20225e+00  0.00000e+00 0.00000e+00 8.08459e+01 251.154 3.11442e+02 251.154 0.8348 
1 1 1 13 3  19 o 11 3.35400e+02 4.02485e+00 5.33378e+02 120.238 -1.85595e+01 3.18403e+01  0.00000e+00 0.00000e+00 3.00942e+02 120.238 2.32436e+02 300.238 0.9863 
1 1 1 13 3  20 o 2  1.76647e+02 4.18781e+00 4.07918e+02 263.584 -1.73896e+00 -1.54634e+01 0.00000e+00 0.00000e+00 2.22976e+01 263.584 3.85621e+02 83.584  0.9673 
1 1 1 13 3  21 o 11 3.74939e+02 3.85965e+00 5.23827e+02 109.589 -1.39422e+01 3.91777e+01  0.00000e+00 0.00000e+00 4.07106e+02 109.589 1.16721e+02 289.589 0.9879 
1 1 1 13 3  22 o 14 4.67284e+02 1.43572e+01 4.87276e+02 88.431  1.36240e+00  4.97454e+01  0.00000e+00 0.00000e+00 6.73135e+02 88.431  1.85858e+02 88.431  0.9899 
1 1 1 13 3  23 o 9  3.05215e+02 3.77326e+00 2.94879e+02 322.222 1.72046e+01  -1.33348e+01 0.00000e+00 0.00000e+00 4.51545e+02 322.222 1.56665e+02 322.222 0.9768 
1 1 1 13 3  24 o 3  3.19421e+02 3.55274e+00 3.06491e+02 225.253 -1.86649e+01 -1.88304e+01 0.00000e+00 0.00000e+00 4.76450e+02 225.253 1.69960e+02 225.253 0.9810 
1 1 1 13 3  25 o 19 3.97224e+02 3.68039e+00 4.28057e+02 30.350  3.88163e+01  2.27276e+01  0.00000e+00 0.00000e+00 5.51320e+02 30.350  1.23264e+02 30.350  0.9888 
1 1 1 13 3  27 o 12 2.09204e+02 4.08554e+00 1.79209e+02 166.036 -1.14765e+01 2.85383e+00  0.00000e+00 0.00000e+00 3.17626e+02 166.036 1.38417e+02 166.036 0.9567 
1 1 1 13 3  28 f 0  2.33246e+02 3.93958e+00 3.27797e+02 327.147 2.33592e+01  -1.50844e+01 0.00000e+00 0.00000e+00 2.39327e+02 327.147 8.84697e+01 147.147 0.9819 
1 1 1 13 3  29 o 1  2.27490e+02 4.18668e+00 2.96771e+02 50.065  1.53755e+01  1.83658e+01  0.00000e+00 0.00000e+00 2.53338e+02 50.065  4.34329e+01 230.065 0.9789 
1 1 1 13 3  30 o 19 2.93610e+02 3.79520e+00 2.67328e+02 231.437 -1.62648e+01 -2.04018e+01 0.00000e+00 0.00000e+00 4.42133e+02 231.437 1.74805e+02 231.437 0.9806 
1 1 1 13 3  32 o 10 1.65415e+02 4.61591e+00 2.10369e+02 109.329 -4.63783e+00 1.32218e+01  0.00000e+00 0.00000e+00 1.80296e+02 109.329 3.00727e+01 289.329 0.9636 
1 1 1 13 3  33 o 14 2.98907e+02 3.86739e+00 3.31399e+02 309.873 2.90384e+01  -3.47622e+01 0.00000e+00 0.00000e+00 3.91025e+02 309.873 5.96264e+01 309.873 0.9889 
1 1 1 13 3  34 o 16 1.62568e+02 4.63204e+00 2.33423e+02 274.204 1.23943e+00  -1.68632e+01 0.00000e+00 0.00000e+00 1.50851e+02 274.204 8.25724e+01 94.204  0.9700 
1 1 1 13 3  35 o 1  6.45501e+01 9.74069e+00 1.41884e+02 232.631 -2.36625e+00 -3.09840e+00 0.00000e+00 0.00000e+00 7.07980e+00 52.631  1.48964e+02 52.631  0.8595 
1 1 1 13 3  36 o 18 2.14156e+02 3.99795e+00 2.20579e+02 71.750  7.25809e+00  2.20107e+01  0.00000e+00 0.00000e+00 2.86851e+02 71.750  6.62722e+01 71.750  0.9782 
1 1 1 13 3  37 o 8  1.95552e+02 4.14470e+00 2.60614e+02 74.397  7.62194e+00  2.72929e+01  0.00000e+00 0.00000e+00 2.03174e+02 74.397  5.74401e+01 254.397 0.9822 
1 1 1 13 3  38 o 13 3.43930e+02 3.81046e+00 4.09273e+02 81.389  1.07280e+01  7.08467e+01  0.00000e+00 0.00000e+00 4.12726e+02 81.389  3.45300e+00 81.389  0.9930 
1 1 1 13 3  39 o 6  2.38221e+02 3.89550e+00 2.04911e+02 46.569  2.38773e+01  2.52223e+01  0.00000e+00 0.00000e+00 3.58268e+02 46.569  1.53357e+02 46.569  0.9855 
1 1 1 13 3  40 o 15 9.53733e+01 6.47353e+00 1.75848e+02 349.055 1.14183e+01  -2.20809e+00 0.00000e+00 0.00000e+00 4.21295e+01 349.055 1.33718e+02 169.055 0.9560 
1 1 1 13 3  41 o 17 9.73175e+01 6.58217e+00 1.09179e+02 182.405 -7.36396e+00 -3.09229e-01 0.00000e+00 0.00000e+00 1.06313e+02 182.405 2.86611e+00 2.405   0.9295 
1 1 1 13 3  42 o 13 1.61745e+02 4.91828e+00 1.86867e+02 248.073 -8.58160e+00 -2.13187e+01 0.00000e+00 0.00000e+00 1.88648e+02 248.073 1.78119e+00 248.073 0.9780 
1 1 1 13 3  43 o 10 1.57849e+02 4.81732e+00 1.25347e+02 81.493  2.11719e+00  1.41546e+01  0.00000e+00 0.00000e+00 2.34708e+02 81.493  1.09361e+02 81.493  0.9644 
1 1 1 13 3  44 o 7  3.00259e+01 9.24197e+00 1.03740e+02 135.244 -1.69853e+00 1.68414e+00  0.00000e+00 0.00000e+00 5.04846e+01 315.244 1.54224e+02 315.244 0.7527 
1 1 1 13 3  45 o 7  1.54351e+02 4.39603e+00 1.92814e+02 193.839 -2.91443e+01 -7.17938e+00 0.00000e+00 0.00000e+00 1.63406e+02 193.839 2.94077e+01 13.839  0.9832 
1 1 1 13 3  46 o 3  1.61699e+02 4.10582e+00 2.16241e+02 94.818  -3.04059e+00 3.60768e+01  0.00000e+00 0.00000e+00 1.56571e+02 94.818  5.96692e+01 274.818 0.9861 
1 1 1 13 3  47 o 15 9.57283e+01 6.11243e+00 9.42435e+01 283.592 2.40921e+00  -9.96477e+00 0.00000e+00 0.00000e+00 1.17515e+02 283.592 2.32713e+01 283.592 0.9499 
1 1 1 13 3  48 o 3  1.94761e+02 5.79303e+00 2.66497e+02 207.829 -5.52837e+01 -2.91841e+01 0.00000e+00 0.00000e+00 1.81569e+02 207.829 8.49280e+01 27.829  0.9920 
1 1 1 13 3  49 o 15 6.98303e+01 9.49113e+00 7.84153e+01 319.100 5.20472e+00  -4.50843e+00 0.00000e+00 0.00000e+00 7.06414e+01 319.100 7.77385e+00 139.100 0.9242 
1 1 1 13 3  50 o 1  1.51843e+02 4.92945e+00 1.45362e+02 318.007 2.29985e+01  -2.07032e+01 0.00000e+00 0.00000e+00 1.98142e+02 318.007 5.27798e+01 318.007 0.9837 
1 1 1 13 3  51 o 3  6.77108e+01 7.33001e+00 7.27617e+01 44.807  4.71503e+00  4.68338e+00  0.00000e+00 0.00000e+00 7.00818e+01 44.807  2.67992e+00 224.807 0.9213 
1 1 1 13 3  52 o 3  1.72773e+02 4.83659e+00 1.83516e+02 74.617  1.21960e+01  4.43292e+01  0.00000e+00 0.00000e+00 2.06021e+02 74.617  2.25046e+01 74.617  0.9891 
1 1 1 13 3  53 o 4  6.36458e+01 8.23139e+00 7.87188e+01 128.384 -4.73190e+00 5.97350e+00  0.00000e+00 0.00000e+00 5.58692e+01 128.384 2.28496e+01 308.384 0.9319 
1 1 1 13 3  54 o 5  4.79788e+01 9.91016e+00 5.49310e+01 8.527   3.63859e+00  5.45529e-01  0.00000e+00 0.00000e+00 3.71814e+01 8.527   1.77495e+01 188.527 0.8499 
1 1 1 13 3  55 o 14 1.55479e+02 6.28266e+00 1.77516e+02 237.999 -2.55203e+01 -4.08393e+01 0.00000e+00 0.00000e+00 1.68383e+02 237.999 9.13297e+00 57.999  0.9896 
1 1 1 13 3  56 o 12 8.77592e+01 6.49479e+00 7.13311e+01 84.170  1.20715e+00  1.18235e+01  0.00000e+00 0.00000e+00 1.16575e+02 84.170  4.52440e+01 84.170  0.9570 
1 1 1 13 3  57 f 0  8.63175e+01 6.81420e+00 8.09922e+01 31.209  1.20452e+01  7.29755e+00  0.00000e+00 0.00000e+00 1.04246e+02 31.209  2.32542e+01 31.209  0.9638 
1 1 1 13 3  58 o 9  1.11211e+02 7.79714e+00 7.94392e+01 235.208 -1.10492e+01 -1.59025e+01 0.00000e+00 0.00000e+00 1.60507e+02 235.208 8.10674e+01 235.208 0.9738 
1 1 1 13 3  59 o 3  5.83208e+01 1.23453e+01 5.28451e+01 179.629 -5.90750e+00 3.82390e-02  0.00000e+00 0.00000e+00 6.42629e+01 179.629 1.14178e+01 179.629 0.9109 
1 1 1 13 3  60 o 12 1.01225e+02 6.67097e+00 9.79971e+01 353.423 2.51119e+01  -2.89546e+00 0.00000e+00 0.00000e+00 1.19566e+02 353.423 2.15686e+01 353.423 0.9800 
1 1 1 13 3  61 o 18 7.26163e+01 1.03548e+01 7.10439e+01 263.384 -1.39563e+00 -1.20331e+01 0.00000e+00 0.00000e+00 8.06963e+01 263.384 9.65240e+00 263.384 0.9578 
1 1 1 13 4  0  o 1  1.46914e+02 7.72074e+00 1.32346e+02 0.000   1.74980e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.22266e+02 0.000   8.99197e+01 0.000   0.9414 
1 1 1 13 4  1  f 0  9.17048e+01 7.38851e+00 2.90435e+02 338.056 4.41846e+00  -1.78015e+00 0.00000e+00 0.00000e+00 8.17325e+01 158.056 3.72167e+02 158.056 0.8876 
1 1 1 13 4  2  o 4  1.01824e+02 6.91956e+00 5.03974e+01 126.780 -5.49334e-01 7.34850e-01  0.00000e+00 0.00000e+00 5.82977e+01 126.780 7.90026e+00 126.780 0.4164 
1 1 1 13 4  3  o 14 5.95806e+02 4.94344e+00 6.16975e+02 230.597 -4.18117e+01 -5.08966e+01 0.00000e+00 0.00000e+00 8.98515e+02 230.597 2.81540e+02 230.597 0.9924 
1 1 1 13 4  4  o 3  3.11823e+02 3.89615e+00 3.51621e+02 51.636  1.21659e+01  1.53694e+01  0.00000e+00 0.00000e+00 4.26723e+02 51.636  7.51021e+01 51.636  0.9741 
1 1 1 13 4  5  o 11 1.61085e+02 4.68186e+00 2.73395e+02 61.556  3.72317e+00  6.87337e+00  0.00000e+00 0.00000e+00 1.11828e+02 61.556  1.61566e+02 241.556 0.9337 
1 1 1 13 4  6  o 18 4.87525e+02 3.97359e+00 5.06070e+02 41.099  3.28212e+01  2.86310e+01  0.00000e+00 0.00000e+00 7.27649e+02 41.099  2.21579e+02 41.099  0.9885 
1 1 1 13 4  7  o 11 3.78701e+02 3.81795e+00 4.57880e+02 327.206 2.55329e+01  -1.64511e+01 0.00000e+00 0.00000e+00 4.95018e+02 327.206 3.71377e+01 327.206 0.9834 
1 1 1 13 4  8  o 6  3.69513e+02 3.81092e+00 3.82635e+02 208.554 -2.07390e+01 -1.12858e+01 0.00000e+00 0.00000e+00 5.41996e+02 208.554 1.59361e+02 208.554 0.9786 
1 1 1 13 4  9  o 8  2.86582e+02 3.96757e+00 4.53329e+02 137.705 -1.58773e+01 1.44447e+01  0.00000e+00 0.00000e+00 2.61673e+02 137.705 1.91656e+02 317.705 0.9764 
1 1 1 13 4  10 o 8  4.78302e+02 4.32995e+00 5.55119e+02 220.662 -3.28761e+01 -2.82399e+01 0.00000e+00 0.00000e+00 6.51854e+02 220.662 9.67348e+01 220.662 0.9884 
1 1 1 13 4  11 o 12 2.65981e+02 4.37299e+00 3.86243e+02 252.682 -4.92916e+00 -1.58082e+01 0.00000e+00 0.00000e+00 2.71397e+02 252.682 1.14846e+02 72.682  0.9693 
1 1 1 13 4  12 o 8  3.46610e+02 3.72203e+00 6.07801e+02 235.683 -2.34802e+01 -3.43982e+01 0.00000e+00 0.00000e+00 2.64778e+02 235.683 3.43023e+02 55.683  0.9879 
1 1 1 13 4  13 o 7  2.29972e+02 3.79672e+00 2.85217e+02 27.733  1.13092e+01  5.94584e+00  0.00000e+00 0.00000e+00 2.76778e+02 27.733  8.43911e+00 207.733 0.9600 
1 1 1 13 4  14 o 14 1.06113e+02 5.94859e+00 1.92211e+02 132.074 -2.96524e+00 3.28468e+00  0.00000e+00 0.00000e+00 4.46944e+01 132.074 1.47516e+02 312.074 0.8781 
1 1 1 13 4  15 o 9  2.36817e+02 3.84888e+00 2.60428e+02 78.954  2.54024e+00  1.30130e+01  0.00000e+00 0.00000e+00 3.17793e+02 78.954  5.73654e+01 78.954  0.9615 
1 1 1 13 4  16 o 14 2.84102e+02 3.50478e+00 2.77883e+02 24.230  1.52471e+01  6.86207e+00  0.00000e+00 0.00000e+00 4.20701e+02 24.230  1.42818e+02 24.230  0.9696 
1 1 1 13 4  17 o 19 4.06964e+02 3.92822e+00 3.93936e+02 114.607 -1.39890e+01 3.05449e+01  0.00000e+00 0.00000e+00 6.21185e+02 114.607 2.27249e+02 114.607 0.9850 
1 1 1 13 4  18 f 0  4.68453e+01 1.07309e+01 1.38374e+02 281.371 2.56203e-01  -1.27393e+00 0.00000e+00 0.00000e+00 7.41145e+01 101.371 2.12489e+02 101.371 0.5425 
1 1 1 13 4  19 o 4  3.00844e+02 3.59232e+00 4.00852e+02 145.417 -2.14543e+01 1.47911e+01  0.00000e+00 0.00000e+00 3.43910e+02 145.417 5.69419e+01 325.417 0.9806 
1 1 1 13 4  20 o 19 2.37666e+02 3.65908e+00 3.38933e+02 183.124 -1.89571e+01 -1.03475e+00 0.00000e+00 0.00000e+00 2.44053e+02 183.124 9.48799e+01 3.124   0.9733 
1 1 1 13 4  21 o 12 2.18854e+02 4.84893e+00 2.26751e+02 290.595 4.02196e+00  -1.07033e+01 0.00000e+00 0.00000e+00 2.99186e+02 290.595 7.24349e+01 290.595 0.9552 
1 1 1 13 4  22 o 2  2.06546e+02 3.89167e+00 1.39547e+02 271.256 1.53179e-01  -6.98402e+00 0.00000e+00 0.00000e+00 3.40412e+02 271.256 2.00865e+02 271.256 0.9254 
1 1 1 13 4  23 o 4  2.54307e+02 3.79464e+00 3.15418e+02 238.952 -9.80938e+00 -1.62949e+01 0.00000e+00 0.00000e+00 3.04957e+02 238.952 1.04613e+01 58.952  0.9733 
1 1 1 13 4  24 o 9  2.44523e+02 3.76644e+00 1.98012e+02 286.140 3.57518e+00  -1.23541e+01 0.00000e+00 0.00000e+00 3.89308e+02 286.140 1.91296e+02 286.140 0.9603 
1 1 1 13 4  25 o 16 4.63457e+02 4.77605e+00 4.68338e+02 266.768 -3.36986e+00 -5.96712e+01 0.00000e+00 0.00000e+00 6.78692e+02 266.768 2.10354e+02 266.768 0.9916 
1 1 1 13 4  26 o 16 4.15530e+02 4.02413e+00 5.29205e+02 257.208 -1.54527e+01 -6.80602e+01 0.00000e+00 0.00000e+00 4.98202e+02 257.208 3.10029e+01 77.208  0.9928 
1 1 1 13 4  27 o 17 1.45749e+02 5.00585e+00 2.10188e+02 49.826  6.10796e+00  7.23452e+00  0.00000e+00 0.00000e+00 1.32267e+02 49.826  7.79203e+01 229.826 0.9456 
1 1 1 13 4  28 o 18 2.93271e+02 3.79299e+00 2.89512e+02 133.576 -2.09489e+01 2.20169e+01  0.00000e+00 0.00000e+00 4.25402e+02 133.576 1.35890e+02 133.576 0.9834 
1 1 1 13 4  29 o 17 6.88053e+01 1.02575e+01 3.45941e+01 53.047  4.62248e-01  6.14475e-01  0.00000e+00 0.00000e+00 2.64165e+01 53.047  8.17760e+00 233.047 0.3586 
1 1 1 13 4  31 o 6  8.96890e+01 7.39448e+00 6.27685e+01 330.645 1.96179e+00  -1.10336e+00 0.00000e+00 0.00000e+00 9.93858e+01 330.645 3.66173e+01 330.645 0.7349 
1 1 1 13 4  32 o 2  3.84161e+02 3.97259e+00 4.21093e+02 289.384 2.47779e+01  -7.04237e+01 0.00000e+00 0.00000e+00 5.15043e+02 289.384 9.39504e+01 289.384 0.9933 
1 1 1 13 4  33 o 11 1.70215e+02 4.54390e+00 1.70109e+02 181.788 -1.30399e+01 -4.06992e-01 0.00000e+00 0.00000e+00 2.30022e+02 181.788 5.99130e+01 181.788 0.9609 
1 1 1 13 4  34 o 9  4.55970e+01 1.10701e+01 7.31118e+01 354.901 1.40829e+00  -1.25665e-01 0.00000e+00 0.00000e+00 9.25380e+00 174.901 8.23656e+01 174.901 0.5741 
1 1 1 13 4  35 o 16 3.35257e+02 3.78439e+00 3.39411e+02 9.659   5.57329e+01  9.48559e+00  0.00000e+00 0.00000e+00 4.68738e+02 9.659   1.29328e+02 9.659   0.9911 
1 1 1 13 4  36 o 2  1.49267e+02 4.81627e+00 1.25596e+02 161.963 -9.98999e+00 3.25315e+00  0.00000e+00 0.00000e+00 2.18652e+02 161.963 9.30566e+01 161.963 0.9511 
1 1 1 13 4  37 o 13 5.69817e+01 1.02715e+01 9.76230e+01 296.614 1.21606e+00  -2.42695e+00 0.00000e+00 0.00000e+00 1.06945e+01 296.614 8.69285e+01 116.614 0.7865 
1 1 1 13 4  38 o 15 6.58881e+01 9.43383e+00 5.15708e+01 350.252 2.16127e+00  -3.71289e-01 0.00000e+00 0.00000e+00 6.38420e+01 350.252 1.22712e+01 350.252 0.7270 
1 1 1 13 4  39 f 0  1.42283e+02 4.85859e+00 2.00725e+02 188.271 -1.97322e+01 -2.86843e+00 0.00000e+00 0.00000e+00 1.32256e+02 188.271 6.84689e+01 8.271   0.9746 
1 1 1 13 4  40 o 10 1.65584e+02 4.56945e+00 2.35561e+02 93.267  -1.55123e+00 2.71747e+01  0.00000e+00 0.00000e+00 1.53352e+02 93.267  8.22086e+01 273.267 0.9815 
1 1 1 13 4  41 o 15 6.83568e+01 8.95985e+00 2.20373e+01 151.972 -9.74997e-01 5.19032e-01  0.00000e+00 0.00000e+00 5.65699e+01 151.972 3.45326e+01 151.972 0.4822 
1 1 1 13 4  42 o 11 2.13949e+02 4.05360e+00 1.78268e+02 336.935 2.59060e+01  -1.10312e+01 0.00000e+00 0.00000e+00 3.21016e+02 336.935 1.42748e+02 336.935 0.9821 
1 1 1 13 4  43 o 7  4.35375e+01 1.10150e+01 7.17190e+01 21.672  2.40513e+00  9.55778e-01  0.00000e+00 0.00000e+00 8.08815e+00 21.672  6.36309e+01 201.672 0.7742 
1 1 1 13 4  44 o 2  6.90993e+01 1.18114e+01 1.03624e+02 159.341 -4.85863e+00 1.83194e+00  0.00000e+00 0.00000e+00 4.26800e+01 159.341 6.09441e+01 339.341 0.8977 
1 1 1 13 4  45 o 18 4.53331e+01 1.03594e+01 5.91893e+01 23.680  2.32407e+00  1.01921e+00  0.00000e+00 0.00000e+00 2.27261e+01 23.680  3.64632e+01 203.680 0.7690 
1 1 1 13 4  46 o 2  7.79790e+01 7.12285e+00 8.71646e+01 269.802 -2.23573e-02 -6.46491e+00 0.00000e+00 0.00000e+00 8.05622e+01 269.802 6.60239e+00 89.802  0.9190 
1 1 1 13 4  47 o 8  1.19032e+02 4.89376e+00 9.84331e+01 56.678  7.37779e+00  1.12224e+01  0.00000e+00 0.00000e+00 1.68500e+02 56.678  7.00667e+01 56.678  0.9620 
1 1 1 13 4  49 o 8  4.38472e+01 9.62386e+00 1.29119e+02 352.314 6.97281e+00  -9.41037e-01 0.00000e+00 0.00000e+00 3.52595e+01 172.314 1.64379e+02 172.314 0.9259 
1 1 1 13 4  50 o 7  1.62602e+02 4.83655e+00 1.81402e+02 123.916 -2.20260e+01 3.27588e+01  0.00000e+00 0.00000e+00 1.88135e+02 123.916 6.73300e+00 123.916 0.9873 
1 1 1 13 4  51 o 15 6.65376e+01 9.74098e+00 9.08692e+01 186.681 -7.55763e+00 -8.85277e-01 0.00000e+00 0.00000e+00 5.12274e+01 186.681 3.96418e+01 6.681   0.9318 
1 1 1 13 4  52 o 15 1.18724e+02 4.91493e+00 8.72101e+01 86.531  1.03158e+00  1.70168e+01  0.00000e+00 0.00000e+00 1.75626e+02 86.531  8.84158e+01 86.531  0.9702 
1 1 1 13 4  53 o 9  6.24526e+01 8.46005e+00 6.93194e+01 218.896 -5.05278e+00 -4.07650e+00 0.00000e+00 0.00000e+00 6.11060e+01 218.896 8.21340e+00 38.896  0.9194 
1 1 1 13 4  54 o 10 1.21502e+02 6.00426e+00 1.17548e+02 46.665  1.75579e+01  1.86093e+01  0.00000e+00 0.00000e+00 1.51750e+02 46.665  3.42023e+01 46.665  0.9803 
1 1 1 13 4  55 o 12 9.21470e+01 7.28792e+00 1.08022e+02 48.346  1.12930e+01  1.26957e+01  0.00000e+00 0.00000e+00 9.31515e+01 48.346  1.48704e+01 228.346 0.9701 
1 1 1 13 4  56 o 13 5.85310e+01 1.01416e+01 6.86951e+01 117.921 -3.14617e+00 5.93691e+00  0.00000e+00 0.00000e+00 5.22044e+01 117.921 1.64907e+01 297.921 0.9223 
1 1 1 13 4  57 o 10 7.68310e+01 7.86078e+00 1.05806e+02 56.554  9.17278e+00  1.38868e+01  0.00000e+00 0.00000e+00 6.02082e+01 56.554  4.55975e+01 236.554 0.9695 
1 1 1 13 4  58 o 8  3.55948e+01 9.97485e+00 2.99576e+01 188.259 -2.10921e+00 -3.06143e-01 0.00000e+00 0.00000e+00 2.67378e+01 188.259 3.21980e+00 8.259   0.7182 
1 1 1 13 4  59 o 9  8.18817e+01 9.08225e+00 1.07196e+02 210.749 -1.68654e+01 -1.00334e+01 0.00000e+00 0.00000e+00 6.88196e+01 210.749 3.83760e+01 30.749  0.9742 
1 1 1 13 4  60 o 10 2.62182e+01 8.84664e+00 1.71717e+01 146.210 -8.54673e-01 5.71938e-01  0.00000e+00 0.00000e+00 9.09492e+00 146.210 8.07677e+00 326.210 0.4564 
1 1 1 13 5  0  o 18 9.90787e+01 9.86320e+00 9.22805e+01 0.000   7.62925e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.12309e+01 0.000   2.10495e+01 180.000 0.6428 
1 1 1 13 5  1  o 8  3.90466e+02 4.06887e+00 6.35375e+02 2.794   4.16147e+01  2.03061e+00  0.00000e+00 0.00000e+00 3.54961e+02 2.794   2.80414e+02 182.794 0.9879 
1 1 1 13 5  2  o 13 4.11968e+02 3.89415e+00 5.62241e+02 192.315 -3.79447e+01 -8.28369e+00 0.00000e+00 0.00000e+00 4.81560e+02 192.315 8.06809e+01 12.315  0.9870 
1 1 1 13 5  3  f 0  4.31231e+02 3.95471e+00 5.33674e+02 29.553  3.34621e+01  1.89725e+01  0.00000e+00 0.00000e+00 5.58557e+02 29.553  2.48829e+01 29.553  0.9869 
1 1 1 13 5  4  o 9  5.75820e+02 4.55797e+00 6.74272e+02 42.906  4.72791e+01  4.39441e+01  0.00000e+00 0.00000e+00 7.91581e+02 42.906  1.17309e+02 42.906  0.9922 
1 1 1 13 5  5  o 1  5.66288e+01 1.03306e+01 1.66015e+02 196.540 -1.46341e+00 -4.34605e-01 0.00000e+00 0.00000e+00 7.84924e+01 16.540  2.44507e+02 16.540  0.6026 
1 1 1 13 5  6  o 1  2.65707e+02 3.65677e+00 2.18780e+02 316.674 6.95650e+00  -6.56133e+00 0.00000e+00 0.00000e+00 4.25677e+02 316.674 2.06897e+02 316.674 0.9462 
1 1 1 13 5  7  o 17 4.15932e+02 3.99198e+00 4.99311e+02 287.051 9.93427e+00  -3.23901e+01 0.00000e+00 0.00000e+00 5.50452e+02 287.051 5.11412e+01 287.051 0.9851 
1 1 1 13 5  8  o 4  6.24800e+02 4.62257e+00 8.55923e+02 164.831 -8.33580e+01 2.25996e+01  0.00000e+00 0.00000e+00 7.34479e+02 164.831 1.21444e+02 344.831 0.9942 
1 1 1 13 5  9  o 14 7.19693e+01 9.04751e+00 6.55286e+01 358.587 9.21691e-01  -2.27359e-02 0.00000e+00 0.00000e+00 1.14485e+01 358.587 5.40800e+01 178.587 0.4181 
1 1 1 13 5  10 o 5  2.21377e+02 4.25323e+00 4.23204e+02 202.536 -1.70006e+01 -7.05441e+00 0.00000e+00 0.00000e+00 1.27119e+02 202.536 2.96085e+02 22.536  0.9724 
1 1 1 13 5  11 o 11 4.40706e+02 4.07095e+00 6.34946e+02 161.780 -5.16062e+01 1.69873e+01  0.00000e+00 0.00000e+00 4.80226e+02 161.780 1.54720e+02 341.780 0.9908 
1 1 1 13 5  12 o 9  2.35459e+02 3.88394e+00 2.25462e+02 147.066 -9.72161e+00 6.29727e+00  0.00000e+00 0.00000e+00 3.48763e+02 147.066 1.23301e+02 147.066 0.9558 
1 1 1 13 5  13 o 6  3.11031e+02 3.54918e+00 3.71239e+02 68.745  9.02336e+00  2.31978e+01  0.00000e+00 0.00000e+00 4.05411e+02 68.745  3.41717e+01 68.745  0.9797 
1 1 1 13 5  14 o 16 5.99234e+02 4.66989e+00 7.59564e+02 309.677 6.16426e+01  -7.43100e+01 0.00000e+00 0.00000e+00 7.58038e+02 309.677 1.52582e+00 129.677 0.9948 
1 1 1 13 5  15 o 12 5.26062e+02 4.37884e+00 6.88855e+02 357.241 7.62580e+01  -3.67488e+00 0.00000e+00 0.00000e+00 6.39924e+02 357.241 4.89315e+01 177.241 0.9934 
1 1 1 13 5  16 o 10 4.09720e+02 3.78812e+00 4.54243e+02 357.374 3.85705e+01  -1.76926e+00 0.00000e+00 0.00000e+00 5.72559e+02 357.374 1.18316e+02 357.374 0.9870 
1 1 1 13 5  17 o 1  3.13527e+02 3.79045e+00 4.55728e+02 1.053   3.11739e+01  5.72860e-01  0.00000e+00 0.00000e+00 3.26395e+02 1.053   1.29333e+02 181.053 0.9838 
1 1 1 13 5  18 o 1  3.17412e+02 3.86629e+00 3.79374e+02 74.178  7.03897e+00  2.48381e+01  0.00000e+00 0.00000e+00 4.08519e+02 74.178  2.91446e+01 74.178  0.9804 
1 1 1 13 5  20 o 12 2.95008e+02 3.72559e+00 2.83750e+02 23.760  1.76152e+01  7.75473e+00  0.00000e+00 0.00000e+00 4.41092e+02 23.760  1.57342e+02 23.760  0.9737 
1 1 1 13 5  21 o 14 3.18179e+02 3.72940e+00 4.15099e+02 224.422 -2.27734e+01 -2.23183e+01 0.00000e+00 0.00000e+00 3.73731e+02 224.422 4.13681e+01 44.422  0.9842 
1 1 1 13 5  22 o 17 3.10547e+02 3.67129e+00 4.58867e+02 187.522 -3.82623e+01 -5.05258e+00 0.00000e+00 0.00000e+00 3.11776e+02 187.522 1.47091e+02 7.522   0.9870 
1 1 1 13 5  23 o 16 1.92342e+02 4.09892e+00 2.76879e+02 170.303 -1.39043e+01 2.37598e+00  0.00000e+00 0.00000e+00 1.88362e+02 170.303 8.85173e+01 350.303 0.9639 
1 1 1 13 5  25 o 10 1.75920e+02 4.36293e+00 1.85092e+02 190.563 -1.01491e+01 -1.89261e+00 0.00000e+00 0.00000e+00 2.32685e+02 190.563 4.75932e+01 190.563 0.9503 
1 1 1 13 5  26 o 9  1.47735e+02 4.93179e+00 1.68578e+02 110.061 -3.11870e+00 8.54028e+00  0.00000e+00 0.00000e+00 1.78924e+02 110.061 1.03458e+01 110.061 0.9433 
1 1 1 13 5  27 o 4  2.31941e+02 3.97287e+00 2.53564e+02 37.081  1.68170e+01  1.27098e+01  0.00000e+00 0.00000e+00 3.09629e+02 37.081  5.60648e+01 37.081  0.9760 
1 1 1 13 5  28 o 14 2.04245e+02 4.12817e+00 1.89247e+02 78.045  2.68842e+00  1.26973e+01  0.00000e+00 0.00000e+00 2.97755e+02 78.045  1.08508e+02 78.045  0.9607 
1 1 1 13 5  30 o 3  1.92597e+02 4.45560e+00 1.08594e+02 282.068 1.78654e+00  -8.35647e+00 0.00000e+00 0.00000e+00 3.38287e+02 282.068 2.29692e+02 282.068 0.9395 
1 1 1 13 5  31 o 8  1.37504e+02 5.20916e+00 9.26585e+01 314.499 4.11557e+00  -4.18814e+00 0.00000e+00 0.00000e+00 2.15660e+02 314.499 1.23002e+02 314.499 0.9103 
1 1 1 13 5  32 o 19 2.72875e+02 4.05505e+00 2.33375e+02 100.289 -5.16744e+00 2.84649e+01  0.00000e+00 0.00000e+00 4.25244e+02 100.289 1.91868e+02 100.289 0.9826 
1 1 1 13 5  33 f 0  2.40724e+02 3.96958e+00 2.90598e+02 153.929 -2.83959e+01 1.38931e+01  0.00000e+00 0.00000e+00 2.89673e+02 153.929 9.24917e-01 333.929 0.9841 
1 1 1 13 5  34 o 7  7.34875e+01 1.05113e+01 1.00248e+02 143.282 -2.79094e+00 2.08169e+00  0.00000e+00 0.00000e+00 5.05535e+01 143.282 4.96945e+01 323.282 0.8401 
1 1 1 13 5  35 o 9  3.40542e+02 3.81221e+00 3.91120e+02 106.278 -2.12101e+01 7.26338e+01  0.00000e+00 0.00000e+00 4.32688e+02 106.278 4.15671e+01 106.278 0.9934 
1 1 1 13 5  36 o 7  4.15008e+01 1.06943e+01 8.31315e+01 217.048 -1.34715e+00 -1.01691e+00 0.00000e+00 0.00000e+00 1.87219e+01 37.048  1.01853e+02 37.048  0.6393 
1 1 1 13 5  37 o 11 1.35751e+02 5.20769e+00 2.37157e+02 272.910 1.11752e+00  -2.19879e+01 0.00000e+00 0.00000e+00 8.38331e+01 272.910 1.53324e+02 92.910  0.9770 
1 1 1 13 5  38 o 12 1.65225e+02 4.64192e+00 7.56236e+01 28.849  7.72561e+00  4.25578e+00  0.00000e+00 0.00000e+00 2.99632e+02 28.849  2.24009e+02 28.849  0.9415 
1 1 1 13 5  39 o 6  2.06147e+02 4.16031e+00 2.59009e+02 342.380 3.59678e+01  -1.14233e+01 0.00000e+00 0.00000e+00 2.30030e+02 342.380 2.89790e+01 162.380 0.9867 
1 1 1 13 5  40 o 2  5.86364e+01 1.01284e+01 7.10221e+01 284.820 7.03641e-01  -2.65942e+00 0.00000e+00 0.00000e+00 3.99393e+01 284.820 3.10828e+01 104.820 0.7897 
1 1 1 13 5  41 o 10 8.16318e+01 7.23767e+00 4.50513e+01 305.349 1.57708e+00  -2.22332e+00 0.00000e+00 0.00000e+00 1.08447e+02 305.349 6.33954e+01 305.349 0.7875 
1 1 1 13 5  42 o 19 1.08794e+02 5.60675e+00 6.31871e+01 247.901 -2.37621e+00 -5.85219e+00 0.00000e+00 0.00000e+00 1.74182e+02 247.901 1.10995e+02 247.901 0.9170 
1 1 1 13 5  43 o 4  1.30562e+02 4.92162e+00 1.06172e+02 237.315 -6.09258e+00 -9.49550e+00 0.00000e+00 0.00000e+00 1.89283e+02 237.315 8.31110e+01 237.315 0.9546 
1 1 1 13 5  44 o 19 5.51943e+01 1.20490e+01 5.45169e+01 251.469 -8.40237e-01 -2.50671e+00 0.00000e+00 0.00000e+00 4.71282e+01 251.469 7.38877e+00 71.469  0.7798 
1 1 1 13 5  45 o 3  1.44121e+02 4.83280e+00 1.53248e+02 247.973 -8.22736e+00 -2.03358e+01 0.00000e+00 0.00000e+00 1.77997e+02 247.973 2.47498e+01 247.973 0.9769 
1 1 1 13 5  46 o 19 1.35436e+02 5.35225e+00 1.90932e+02 11.800  2.91889e+01  6.09774e+00  0.00000e+00 0.00000e+00 1.21085e+02 11.800  6.98461e+01 191.800 0.9831 
1 1 1 13 5  47 o 4  5.60416e+01 2.37387e+01 5.75840e+01 300.863 1.14498e+00  -1.91595e+00 0.00000e+00 0.00000e+00 3.82196e+01 300.863 1.93644e+01 120.863 0.7324 
1 1 1 13 5  48 f 0  5.94931e+01 1.03156e+01 3.09876e+01 161.134 -2.14917e+00 7.34412e-01  0.00000e+00 0.00000e+00 7.10225e+01 161.134 4.00349e+01 161.134 0.7376 
1 1 1 13 5  49 o 10 1.02735e+02 5.78851e+00 1.18060e+02 170.450 -1.65982e+01 2.79258e+00  0.00000e+00 0.00000e+00 1.12574e+02 170.450 5.48615e+00 350.450 0.9698 
1 1 1 13 5  50 o 11 5.86827e+01 9.70090e+00 1.02501e+02 177.640 -7.66147e+00 3.15761e-01  0.00000e+00 0.00000e+00 2.36030e+01 177.640 7.88979e+01 357.640 0.9323 
1 1 1 13 5  51 o 19 5.46809e+01 1.11608e+01 5.39644e+01 249.878 -1.26604e+00 -3.45560e+00 0.00000e+00 0.00000e+00 5.26992e+01 249.878 1.26519e+00 69.878  0.8500 
1 1 1 13 5  52 o 1  7.60058e+01 8.84269e+00 9.12094e+01 152.751 -9.25381e+00 4.76579e+00  0.00000e+00 0.00000e+00 7.38792e+01 152.751 1.73303e+01 332.751 0.9507 
1 1 1 13 5  53 o 5  3.37576e+01 1.00665e+01 1.65274e+01 323.768 6.28289e-01  -4.60381e-01 0.00000e+00 0.00000e+00 1.13144e+01 323.768 5.21302e+00 143.768 0.3626 
1 1 1 13 5  54 o 7  6.92308e+01 9.19800e+00 7.20781e+01 220.892 -6.07950e+00 -5.26471e+00 0.00000e+00 0.00000e+00 7.45610e+01 220.892 2.48289e+00 220.892 0.9356 
1 1 1 13 5  55 o 5  4.54045e+01 1.02283e+01 5.30033e+01 122.163 -1.97273e+00 3.13717e+00  0.00000e+00 0.00000e+00 3.40812e+01 122.163 1.89220e+01 302.163 0.8512 
1 1 1 13 5  56 o 13 2.36335e+01 8.09052e+00 3.45534e+01 205.957 -1.42762e+00 -6.94971e-01 0.00000e+00 0.00000e+00 1.84753e+00 25.957  3.64009e+01 25.957  0.6171 
1 1 1 13 5  57 o 4  4.07070e+01 1.05838e+01 7.37295e+01 10.563  5.78073e+00  1.07795e+00  0.00000e+00 0.00000e+00 8.98011e+00 10.563  6.47494e+01 190.563 0.9105 
1 1 1 13 5  58 o 1  4.14316e+01 1.05141e+01 3.03720e+01 61.897  1.25278e+00  2.34600e+00  0.00000e+00 0.00000e+00 4.15094e+01 61.897  1.11374e+01 61.897  0.7813 
1 1 1 13 5  59 o 3  6.19353e+01 9.97945e+00 8.51773e+01 90.547  -1.11917e-01 1.17148e+01  0.00000e+00 0.00000e+00 4.56872e+01 90.547  3.94901e+01 270.547 0.9563 
1 1 1 13 5  60 o 15 4.76056e+01 1.12036e+01 2.40218e+01 76.738  5.91197e-01  2.50838e+00  0.00000e+00 0.00000e+00 5.68807e+01 76.738  3.28589e+01 76.738  0.7731 
1 1 1 13 6  0  f 0  7.60001e+02 7.25423e+00 7.06054e+02 0.000   5.37062e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.24823e+03 0.000   5.42174e+02 0.000   1.0000 
1 1 1 13 6  1  o 4  2.96446e+02 3.63201e+00 3.43415e+02 18.571  1.93711e+01  6.50808e+00  0.00000e+00 0.00000e+00 3.99948e+02 18.571  5.65332e+01 18.571  0.9752 
1 1 1 13 6  2  o 9  1.69800e+02 4.49181e+00 1.78070e+02 39.264  4.68233e+00  3.82754e+00  0.00000e+00 0.00000e+00 2.20542e+02 39.264  4.24723e+01 39.264  0.9131 
1 1 1 13 6  3  o 10 2.77773e+02 3.63788e+00 2.91973e+02 359.831 1.62025e+01  -4.77642e-02 0.00000e+00 0.00000e+00 3.99624e+02 359.831 1.07651e+02 359.831 0.9686 
1 1 1 13 6  4  o 12 2.32493e+02 3.87429e+00 3.01106e+02 210.246 -1.20265e+01 -7.01243e+00 0.00000e+00 0.00000e+00 2.74445e+02 210.246 2.66608e+01 30.246  0.9634 
1 1 1 13 6  5  o 10 2.92678e+02 3.84541e+00 2.63656e+02 12.647  1.48955e+01  3.34226e+00  0.00000e+00 0.00000e+00 4.63075e+02 12.647  1.99420e+02 12.647  0.9667 
1 1 1 13 6  6  o 2  1.43569e+02 4.76015e+00 2.27489e+02 218.697 -5.00063e+00 -4.00580e+00 0.00000e+00 0.00000e+00 1.10984e+02 218.697 1.16505e+02 38.697  0.9183 
1 1 1 13 6  7  o 13 2.31046e+02 4.42085e+00 3.70069e+02 13.261  1.62170e+01  3.82190e+00  0.00000e+00 0.00000e+00 2.04716e+02 13.261  1.65353e+02 193.261 0.9695 
1 1 1 13 6  8  o 11 4.19391e+02 3.96709e+00 4.80511e+02 121.184 -2.29576e+01 3.79311e+01  0.00000e+00 0.00000e+00 5.82749e+02 121.184 1.02239e+02 121.184 0.9887 
1 1 1 13 6  9  o 7  3.26408e+02 3.90293e+00 2.89084e+02 24.910  1.86678e+01  8.66946e+00  0.00000e+00 0.00000e+00 5.26744e+02 24.910  2.37660e+02 24.910  0.9754 
1 1 1 13 6  10 o 11 6.40291e+02 4.71749e+00 8.38209e+02 206.987 -1.03118e+02 -5.25121e+01 0.00000e+00 0.00000e+00 7.94063e+02 206.987 4.41455e+01 26.987  0.9957 
1 1 1 13 6  11 o 14 7.93025e+01 8.25982e+00 1.79973e+02 39.949  2.30542e+00  1.93099e+00  0.00000e+00 0.00000e+00 1.55523e+01 219.949 1.95526e+02 219.949 0.8105 
1 1 1 13 6  12 o 4  2.23557e+02 4.02109e+00 1.82937e+02 349.887 8.56821e+00  -1.52818e+00 0.00000e+00 0.00000e+00 3.54464e+02 349.887 1.71527e+02 349.887 0.9407 
1 1 1 13 6  13 o 6  4.37956e+02 3.88660e+00 4.77230e+02 212.496 -3.70214e+01 -2.35814e+01 0.00000e+00 0.00000e+00 6.27948e+02 212.496 1.50718e+02 212.496 0.9885 
1 1 1 13 6  14 o 15 2.73974e+02 4.01280e+00 2.86730e+02 6.798   1.61430e+01  1.92435e+00  0.00000e+00 0.00000e+00 3.90003e+02 6.798   1.03274e+02 6.798   0.9687 
1 1 1 13 6  15 o 6  3.73746e+02 3.96886e+00 4.11135e+02 306.233 1.98187e+01  -2.70462e+01 0.00000e+00 0.00000e+00 5.26337e+02 306.233 1.15202e+02 306.233 0.9850 
1 1 1 13 6  16 o 8  4.88673e+02 4.22573e+00 5.57863e+02 336.074 5.35093e+01  -2.37415e+01 0.00000e+00 0.00000e+00 6.74260e+02 336.074 1.16397e+02 336.074 0.9914 
1 1 1 13 6  18 o 7  2.48682e+02 3.67520e+00 1.77448e+02 48.955  6.70539e+00  7.70135e+00  0.00000e+00 0.00000e+00 4.21422e+02 48.955  2.43974e+02 48.955  0.9497 
1 1 1 13 6  19 o 11 2.50702e+02 3.78590e+00 2.34867e+02 79.585  2.59101e+00  1.40967e+01  0.00000e+00 0.00000e+00 3.77274e+02 79.585  1.42408e+02 79.585  0.9645 
1 1 1 13 6  20 o 19 1.91232e+02 4.10066e+00 1.58330e+02 279.547 1.37239e+00  -8.15966e+00 0.00000e+00 0.00000e+00 2.94771e+02 279.547 1.36441e+02 279.547 0.9375 
1 1 1 13 6  21 o 2  3.68339e+02 3.57511e+00 3.22683e+02 6.859   3.16730e+01  3.80962e+00  0.00000e+00 0.00000e+00 5.91940e+02 6.859   2.69257e+02 6.859   0.9842 
1 1 1 13 6  22 o 14 2.27305e+02 3.93432e+00 3.90104e+02 344.466 2.38858e+01  -6.63938e+00 0.00000e+00 0.00000e+00 1.70650e+02 344.466 2.19453e+02 164.466 0.9796 
1 1 1 13 6  24 o 13 3.08580e+02 3.69038e+00 4.60805e+02 53.751  2.65653e+01  3.62317e+01  0.00000e+00 0.00000e+00 3.04547e+02 53.751  1.56257e+02 233.751 0.9888 
1 1 1 13 6  25 o 10 7.86033e+01 8.99955e+00 1.32250e+02 205.031 -3.33725e+00 -1.55838e+00 0.00000e+00 0.00000e+00 3.50089e+01 205.031 9.72412e+01 25.031  0.8501 
1 1 1 13 6  26 o 9  1.47544e+02 4.84633e+00 1.88966e+02 67.622  3.62459e+00  8.80367e+00  0.00000e+00 0.00000e+00 1.59604e+02 67.622  2.93615e+01 247.622 0.9459 
1 1 1 13 6  27 o 16 7.30780e+01 1.03149e+01 4.96724e+01 191.993 -1.14632e+00 -2.43519e-01 0.00000e+00 0.00000e+00 4.21031e+01 191.993 7.56931e+00 11.993  0.5040 
1 1 1 13 6  29 o 15 1.45722e+02 4.75161e+00 1.18769e+02 4.935   7.03085e+00  6.07143e-01  0.00000e+00 0.00000e+00 2.15913e+02 4.935   9.71437e+01 4.935   0.9262 
1 1 1 13 6  30 o 19 7.62425e+01 8.35552e+00 1.25607e+02 216.261 -3.47577e+00 -2.54958e+00 0.00000e+00 0.00000e+00 3.93087e+01 216.261 8.62987e+01 36.261  0.8745 
1 1 1 13 6  31 o 3  2.69047e+02 3.84057e+00 2.99035e+02 173.426 -3.63816e+01 4.19254e+00  0.00000e+00 0.00000e+00 3.55578e+02 173.426 5.65425e+01 173.426 0.9863 
1 1 1 13 6  32 o 4  9.03379e+01 7.00055e+00 1.30029e+02 268.548 -1.32316e-01 -5.21965e+00 0.00000e+00 0.00000e+00 6.96202e+01 268.548 6.04093e+01 88.548  0.8983 
1 1 1 13 6  33 o 1  2.37103e+02 3.69774e+00 3.27603e+02 53.368  2.32634e+01  3.12878e+01  0.00000e+00 0.00000e+00 2.46601e+02 53.368  8.10018e+01 233.368 0.9871 
1 1 1 13 6  34 o 17 6.77091e+01 9.02332e+00 1.05975e+02 164.587 -3.76749e+00 1.03868e+00  0.00000e+00 0.00000e+00 3.64573e+01 164.587 6.95173e+01 344.587 0.8599 
1 1 1 13 6  35 o 2  1.96238e+02 4.12868e+00 2.05449e+02 252.988 -6.14972e+00 -2.01001e+01 0.00000e+00 0.00000e+00 2.61661e+02 252.988 5.62114e+01 252.988 0.9759 
1 1 1 13 6  36 o 1  2.05756e+02 4.08038e+00 1.39633e+02 353.777 1.97956e+01  -2.15860e+00 0.00000e+00 0.00000e+00 3.47956e+02 353.777 2.08323e+02 353.777 0.9746 
1 1 1 13 6  37 o 16 1.09910e+02 5.90539e+00 6.98022e+01 293.395 2.13739e+00  -4.94031e+00 0.00000e+00 0.00000e+00 1.70391e+02 293.395 1.00589e+02 293.395 0.9016 
1 1 1 13 6  38 f 0  4.71871e+01 1.04520e+01 1.14208e+02 130.729 -2.31716e+00 2.69114e+00  0.00000e+00 0.00000e+00 1.80137e+01 310.729 1.32222e+02 310.729 0.8437 
1 1 1 13 6  39 o 14 2.51981e+02 3.67218e+00 2.68527e+02 292.025 1.81518e+01  -4.48710e+01 0.00000e+00 0.00000e+00 3.31972e+02 292.025 6.34452e+01 292.025 0.9896 
1 1 1 13 6  40 o 1  1.60163e+02 4.27554e+00 2.05530e+02 278.988 3.95831e+00  -2.50266e+01 0.00000e+00 0.00000e+00 1.71187e+02 278.988 3.43423e+01 98.988  0.9801 
1 1 1 13 6  41 o 2  1.46954e+02 4.39903e+00 1.92703e+02 345.200 2.56832e+01  -6.78580e+00 0.00000e+00 0.00000e+00 1.52066e+02 345.200 4.06366e+01 165.200 0.9810 
1 1 1 13 6  42 o 10 3.67744e+01 9.81503e+00 3.37916e+01 330.586 8.29654e-01  -4.67757e-01 0.00000e+00 0.00000e+00 3.82781e+00 330.586 2.99638e+01 150.586 0.4293 
1 1 1 13 6  43 o 7  3.29378e+01 9.63808e+00 6.16978e+01 178.389 -1.90106e+00 5.34611e-02  0.00000e+00 0.00000e+00 8.44321e+00 358.389 7.01410e+01 358.389 0.6810 
1 1 1 13 6  44 o 13 6.98448e+01 8.11539e+00 4.79350e+01 204.397 -3.01112e+00 -1.36573e+00 0.00000e+00 0.00000e+00 8.92411e+01 204.397 4.13060e+01 204.397 0.8303 
1 1 1 13 6  45 o 12 1.12138e+02 5.32838e+00 1.20087e+02 224.708 -1.11412e+01 -1.10280e+01 0.00000e+00 0.00000e+00 1.35575e+02 224.708 1.54881e+01 224.708 0.9676 
1 1 1 13 6  46 o 2  3.59505e+01 1.05715e+01 6.49315e+01 233.208 -1.53406e+00 -2.05124e+00 0.00000e+00 0.00000e+00 1.68618e-01 233.208 6.47629e+01 53.208  0.7715 
1 1 1 13 6  47 f 0  1.40306e+02 4.86124e+00 1.20742e+02 257.072 -3.64547e+00 -1.58819e+01 0.00000e+00 0.00000e+00 1.97023e+02 257.072 7.62811e+01 257.072 0.9688 
1 1 1 13 6  48 o 5  6.21201e+01 9.66768e+00 8.83192e+01 109.521 -2.34091e+00 6.60297e+00  0.00000e+00 0.00000e+00 4.55445e+01 109.521 4.27747e+01 289.521 0.9256 
1 1 1 13 6  49 o 10 9.87585e+01 6.79489e+00 9.06750e+01 10.999  1.13604e+01  2.20794e+00  0.00000e+00 0.00000e+00 1.28161e+02 10.999  3.74865e+01 10.999  0.9558 
1 1 1 13 6  50 o 17 4.54157e+01 1.14609e+01 7.59196e+01 107.215 -1.27134e+00 4.10332e+00  0.00000e+00 0.00000e+00 1.57144e+01 107.215 6.02052e+01 287.215 0.8740 
1 1 1 13 6  51 o 7  9.20552e+01 6.51901e+00 1.18446e+02 90.454  -1.37480e-01 1.73674e+01  0.00000e+00 0.00000e+00 8.69587e+01 90.454  3.14874e+01 270.454 0.9708 
1 1 1 13 6  52 o 2  4.88377e+01 1.07550e+01 2.13899e+01 121.185 -7.45292e-01 1.23133e+00  0.00000e+00 0.00000e+00 4.35145e+01 121.185 2.21246e+01 121.185 0.5808 
1 1 1 13 6  53 o 10 9.18390e+01 7.09808e+00 1.28066e+02 228.148 -1.36823e+01 -1.52748e+01 0.00000e+00 0.00000e+00 7.59739e+01 228.148 5.20926e+01 48.148  0.9753 
1 1 1 13 6  54 o 10 1.41779e+02 4.93584e+00 1.56255e+02 315.337 2.85414e+01  -2.82081e+01 0.00000e+00 0.00000e+00 1.61195e+02 315.337 4.93943e+00 315.337 0.9875 
1 1 1 13 6  55 o 6  5.22800e+01 1.01665e+01 1.00263e+02 76.411  2.23281e+00  9.23743e+00  0.00000e+00 0.00000e+00 1.13330e+01 76.411  8.89302e+01 256.411 0.9458 
1 1 1 13 6  56 o 18 4.18399e+01 1.05431e+01 5.46222e+01 57.688  2.25119e+00  3.55938e+00  0.00000e+00 0.00000e+00 2.72480e+01 57.688  2.73741e+01 237.688 0.8712 
1 1 1 13 6  57 o 4  8.17336e+01 7.22860e+00 8.24986e+01 185.328 -1.50353e+01 -1.40225e+00 0.00000e+00 0.00000e+00 9.40311e+01 185.328 1.15325e+01 185.328 0.9663 
1 1 1 13 6  58 o 14 1.03574e+02 6.17370e+00 1.35284e+02 197.298 -3.54089e+01 -1.10273e+01 0.00000e+00 0.00000e+00 9.19467e+01 197.298 4.33370e+01 17.298  0.9864 
1 1 1 13 6  59 o 8  3.48899e+01 1.00113e+01 4.34287e+01 167.224 -3.20716e+00 7.27238e-01  0.00000e+00 0.00000e+00 2.05953e+01 167.224 2.28333e+01 347.224 0.8292 
1 1 1 13 7  0  o 8  3.21260e+02 4.98345e+00 5.65075e+02 0.000   1.98767e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.62549e+02 0.000   3.02527e+02 180.000 1.0000 
1 1 1 13 7  1  o 3  1.50296e+02 4.63430e+00 1.31881e+02 311.698 2.87850e+00  -3.23096e+00 0.00000e+00 0.00000e+00 2.06905e+02 311.698 7.50247e+01 311.698 0.8750 
1 1 1 13 7  2  o 7  1.41994e+02 4.78869e+00 9.82625e+01 109.694 -1.02453e+00 2.86234e+00  0.00000e+00 0.00000e+00 1.99051e+02 109.694 1.00789e+02 109.694 0.8129 
1 1 1 13 7  3  o 5  1.46350e+02 4.94848e+00 1.40082e+02 355.644 4.44088e+00  -3.38252e-01 0.00000e+00 0.00000e+00 1.91176e+02 355.644 5.10932e+01 355.644 0.8790 
1 1 1 13 7  4  o 14 2.66007e+02 3.56340e+00 3.77718e+02 123.984 -1.21978e+01 1.80951e+01  0.00000e+00 0.00000e+00 2.91211e+02 123.984 8.65078e+01 303.984 0.9768 
1 1 1 13 7  5  o 13 2.24971e+02 3.89946e+00 3.05221e+02 279.310 2.40014e+00  -1.46402e+01 0.00000e+00 0.00000e+00 2.53854e+02 279.310 5.13671e+01 99.310  0.9657 
1 1 1 13 7  6  o 10 4.10597e+02 4.03381e+00 4.29049e+02 356.854 3.77837e+01  -2.07685e+00 0.00000e+00 0.00000e+00 6.13031e+02 356.854 1.83982e+02 356.854 0.9867 
1 1 1 13 7  7  o 3  2.96851e+02 3.66903e+00 2.50485e+02 73.760  4.47580e+00  1.53658e+01  0.00000e+00 0.00000e+00 4.88400e+02 73.760  2.37915e+02 73.760  0.9682 
1 1 1 13 7  8  o 4  3.30312e+02 3.71096e+00 3.79115e+02 89.429  2.66546e-01  2.67301e+01  0.00000e+00 0.00000e+00 4.53453e+02 89.429  7.43376e+01 89.429  0.9811 
1 1 1 13 7  9  o 19 7.29650e+01 9.51976e+00 7.53975e+01 41.059  8.59461e-01  7.48668e-01  0.00000e+00 0.00000e+00 1.70877e+01 41.059  5.83098e+01 221.059 0.4937 
1 1 1 13 7  10 o 5  1.13391e+02 5.71208e+00 2.50691e+02 76.353  1.39711e+00  5.75432e+00  0.00000e+00 0.00000e+00 1.43168e+01 76.353  2.36374e+02 256.353 0.9111 
1 1 1 13 7  11 o 5  3.72230e+02 3.63102e+00 3.96338e+02 171.002 -3.22919e+01 5.11356e+00  0.00000e+00 0.00000e+00 5.42897e+02 171.002 1.46559e+02 171.002 0.9846 
1 1 1 13 7  12 o 17 2.69750e+02 3.59444e+00 4.08004e+02 246.296 -9.69264e+00 -2.20768e+01 0.00000e+00 0.00000e+00 2.68140e+02 246.296 1.39864e+02 66.296  0.9790 
1 1 1 13 7  13 o 2  3.64124e+02 3.81986e+00 3.92529e+02 213.817 -2.56799e+01 -1.72022e+01 0.00000e+00 0.00000e+00 5.23516e+02 213.817 1.30986e+02 213.817 0.9837 
1 1 1 13 7  14 o 7  5.61502e+02 5.73761e+00 5.26109e+02 330.070 6.04305e+01  -3.47916e+01 0.00000e+00 0.00000e+00 8.97920e+02 330.070 3.71811e+02 330.070 0.9928 
1 1 1 13 7  15 o 14 2.77145e+02 4.60883e+00 3.21695e+02 42.818  1.52779e+01  1.41564e+01  0.00000e+00 0.00000e+00 3.68195e+02 42.818  4.64999e+01 42.818  0.9757 
1 1 1 13 7  16 o 4  1.53303e+02 4.81697e+00 2.57040e+02 238.562 -5.06474e+00 -8.28518e+00 0.00000e+00 0.00000e+00 1.12864e+02 238.562 1.44176e+02 58.562  0.9470 
1 1 1 13 7  17 o 3  4.59060e+02 3.98871e+00 3.49830e+02 321.392 3.04938e+01  -2.43500e+01 0.00000e+00 0.00000e+00 8.03076e+02 321.392 4.53246e+02 321.392 0.9871 
1 1 1 13 7  18 o 19 2.79409e+02 4.03921e+00 3.98199e+02 191.462 -2.98299e+01 -6.04859e+00 0.00000e+00 0.00000e+00 2.99859e+02 191.462 9.83405e+01 11.462  0.9834 
1 1 1 13 7  19 o 17 2.38318e+02 4.10734e+00 2.79048e+02 324.587 1.45679e+01  -1.03579e+01 0.00000e+00 0.00000e+00 3.08256e+02 324.587 2.92079e+01 324.587 0.9716 
1 1 1 13 7  20 o 12 1.18725e+02 6.41913e+00 2.25818e+02 228.533 -4.94165e+00 -5.59207e+00 0.00000e+00 0.00000e+00 5.38710e+01 228.533 1.71947e+02 48.533  0.9304 
1 1 1 13 7  22 f 0  2.20159e+02 4.01256e+00 1.40681e+02 212.344 -8.32765e+00 -5.27350e+00 0.00000e+00 0.00000e+00 3.85791e+02 212.344 2.45110e+02 212.344 0.9478 
1 1 1 13 7  23 o 6  3.14515e+02 3.57400e+00 2.95392e+02 82.707  4.35136e+00  3.40022e+01  0.00000e+00 0.00000e+00 4.84936e+02 82.707  1.89544e+02 82.707  0.9853 
1 1 1 13 7  24 o 9  2.85494e+02 3.65824e+00 3.14901e+02 335.425 2.95698e+01  -1.35227e+01 0.00000e+00 0.00000e+00 3.91412e+02 335.425 7.65107e+01 335.425 0.9845 
1 1 1 13 7  25 o 15 3.71639e+02 3.64505e+00 4.15671e+02 317.270 3.85630e+01  -3.56228e+01 0.00000e+00 0.00000e+00 5.07351e+02 317.270 9.16802e+01 317.270 0.9904 
1 1 1 13 7  27 o 9  2.79827e+02 3.73256e+00 3.47324e+02 262.198 -5.48922e+00 -4.00602e+01 0.00000e+00 0.00000e+00 3.42551e+02 262.198 4.77280e+00 82.198  0.9876 
1 1 1 13 7  28 o 6  1.43187e+02 4.84404e+00 1.39922e+02 181.744 -9.40410e+00 -2.86304e-01 0.00000e+00 0.00000e+00 1.97166e+02 181.744 5.72442e+01 181.744 0.9453 
1 1 1 13 7  29 o 9  3.07070e+02 3.69456e+00 4.36913e+02 174.935 -6.18413e+01 5.48076e+00  0.00000e+00 0.00000e+00 3.19800e+02 174.935 1.17113e+02 354.935 0.9919 
1 1 1 13 7  30 o 1  3.34126e+01 1.01125e+01 9.32379e+01 219.115 -1.04476e+00 -8.49496e-01 0.00000e+00 0.00000e+00 4.72146e+01 39.115  1.40452e+02 39.115  0.5558 
1 1 1 13 7  31 o 3  2.28917e+02 4.20897e+00 3.78895e+02 144.495 -3.18378e+01 2.27138e+01  0.00000e+00 0.00000e+00 1.79609e+02 144.495 1.99286e+02 324.495 0.9871 
1 1 1 13 7  32 o 1  6.86020e+01 9.73130e+00 1.20898e+02 216.355 -3.18741e+00 -2.34607e+00 0.00000e+00 0.00000e+00 2.48406e+01 216.355 9.60574e+01 36.355  0.8619 
1 1 1 13 7  33 o 1  1.38171e+02 5.51685e+00 1.54384e+02 90.575  -1.20546e-01 1.20147e+01  0.00000e+00 0.00000e+00 1.70778e+02 90.575  1.63940e+01 90.575  0.9574 
1 1 1 13 7  34 o 15 1.14021e+02 6.34084e+00 1.40862e+02 199.053 -7.79681e+00 -2.69270e+00 0.00000e+00 0.00000e+00 1.21056e+02 199.053 1.98053e+01 19.053  0.9373 
1 1 1 13 7  35 o 9  1.61543e+02 4.65435e+00 2.19280e+02 350.704 2.41438e+01  -3.95182e+00 0.00000e+00 0.00000e+00 1.67310e+02 350.704 5.19699e+01 170.704 0.9793 
1 1 1 13 7  36 o 15 7.12624e+01 8.81280e+00 5.85570e+01 83.186  3.35530e-01  2.80795e+00  0.00000e+00 0.00000e+00 7.97025e+01 83.186  2.11455e+01 83.186  0.7964 
1 1 1 13 7  37 o 1  1.33634e+02 4.91869e+00 1.90925e+02 292.938 7.04271e+00  -1.66420e+01 0.00000e+00 0.00000e+00 1.24487e+02 292.938 6.64386e+01 112.938 0.9719 
1 1 1 13 7  38 o 16 6.22948e+01 9.37953e+00 6.99488e+01 300.731 1.50029e+00  -2.52365e+00 0.00000e+00 0.00000e+00 5.14583e+01 300.731 1.84905e+01 120.731 0.8051 
1 1 1 13 7  39 o 1  4.30018e+01 1.04798e+01 3.93193e+01 214.343 -9.93429e-01 -6.78760e-01 0.00000e+00 0.00000e+00 1.39811e+01 214.343 2.53382e+01 34.343  0.5138 
1 1 1 13 7  40 o 11 1.76516e+02 4.68652e+00 1.68349e+02 227.630 -1.88054e+01 -2.06160e+01 0.00000e+00 0.00000e+00 2.48384e+02 227.630 8.00343e+01 227.630 0.9819 
1 1 1 13 7  41 f 0  1.61569e+02 4.33490e+00 1.40698e+02 21.711  1.75003e+01  6.96818e+00  0.00000e+00 0.00000e+00 2.35998e+02 21.711  9.52994e+01 21.711  0.9731 
1 1 1 13 7  42 o 10 3.43818e+01 9.81903e+00 1.86894e+01 132.857 -4.09140e-01 4.40945e-01  0.00000e+00 0.00000e+00 4.94503e+00 132.857 1.37444e+01 312.857 0.2879 
1 1 1 13 7  43 o 3  1.33475e+02 4.71398e+00 1.68456e+02 131.094 -1.54655e+01 1.77320e+01  0.00000e+00 0.00000e+00 1.42216e+02 131.094 2.62398e+01 311.094 0.9785 
1 1 1 13 7  44 o 6  4.46898e+01 1.00052e+01 4.42677e+01 13.180  2.05159e+00  4.80425e-01  0.00000e+00 0.00000e+00 3.14117e+01 13.180  1.28560e+01 193.180 0.7146 
1 1 1 13 7  45 o 13 1.40427e+02 5.10039e+00 1.79706e+02 294.453 1.29690e+01  -2.85202e+01 0.00000e+00 0.00000e+00 1.46465e+02 294.453 3.32417e+01 114.453 0.9839 
1 1 1 13 7  46 o 11 4.49905e+01 1.20827e+01 2.09243e+01 306.771 4.79178e-01  -6.41201e-01 0.00000e+00 0.00000e+00 1.83525e+01 306.771 2.57177e+00 126.771 0.3713 
1 1 1 13 7  47 o 2  8.56967e+01 7.68454e+00 1.24176e+02 271.500 3.77328e-01  -1.44116e+01 0.00000e+00 0.00000e+00 6.94371e+01 271.500 5.47385e+01 91.500  0.9647 
1 1 1 13 7  48 o 2  3.24666e+01 9.65322e+00 3.39068e+01 59.702  6.74923e-01  1.15509e+00  0.00000e+00 0.00000e+00 8.00116e+00 59.702  2.59056e+01 239.702 0.5534 
1 1 1 13 7  49 o 16 1.19351e+02 6.16519e+00 1.11902e+02 6.653   1.92434e+01  2.24461e+00  0.00000e+00 0.00000e+00 1.58063e+02 6.653   4.61617e+01 6.653   0.9738 
1 1 1 13 7  50 o 14 3.42598e+01 1.01327e+01 8.93046e+01 344.571 4.26003e+00  -1.17573e+00 0.00000e+00 0.00000e+00 1.97421e+01 164.571 1.09047e+02 164.571 0.8779 
1 1 1 13 7  51 o 13 6.86314e+01 9.67166e+00 4.30223e+01 276.147 4.54700e-01  -4.22206e+00 0.00000e+00 0.00000e+00 9.48487e+01 276.147 5.18264e+01 276.147 0.8724 
1 1 1 13 7  52 o 17 8.41485e+01 7.73476e+00 9.94438e+01 340.621 1.36220e+01  -4.79147e+00 0.00000e+00 0.00000e+00 8.66662e+01 340.621 1.27777e+01 160.621 0.9647 
1 1 1 13 7  53 o 7  1.26934e+02 5.36071e+00 1.53872e+02 164.146 -3.40573e+01 9.67224e+00  0.00000e+00 0.00000e+00 1.31694e+02 164.146 2.21780e+01 344.145 0.9858 
1 1 1 13 7  54 o 9  3.93109e+01 1.06924e+01 7.95817e+01 48.295  3.43412e+00  3.85374e+00  0.00000e+00 0.00000e+00 5.22331e-01 48.295  7.90594e+01 228.295 0.8970 
1 1 1 13 7  55 o 11 6.24489e+01 9.46358e+00 6.08096e+01 192.874 -7.19737e+00 -1.64499e+00 0.00000e+00 0.00000e+00 7.04449e+01 192.874 9.63529e+00 192.874 0.9296 
1 1 1 13 7  56 o 17 4.61675e+01 1.10510e+01 4.11075e+01 344.569 3.49932e+00  -9.65925e-01 0.00000e+00 0.00000e+00 4.69498e+01 344.569 5.84230e+00 344.569 0.8476 
1 1 1 13 7  57 o 14 1.27100e+02 6.07011e+00 1.13827e+02 23.447  3.39095e+01  1.47068e+01  0.00000e+00 0.00000e+00 1.66909e+02 23.447  5.30821e+01 23.447  0.9864 
1 1 1 13 7  58 o 11 1.15316e+02 6.32945e+00 1.32617e+02 7.438   3.88618e+01  5.07319e+00  0.00000e+00 0.00000e+00 1.21031e+02 7.438   1.15862e+01 187.438 0.9872 
1 1 1 13 8  0  o 14 8.54902e+01 1.10914e+01 3.17483e+02 0.000   2.82441e+00  0.00000e+00  0.00000e+00 0.00000e+00 9.83242e+01 180.000 4.15807e+02 180.000 0.9930 
1 1 1 13 8  1  o 14 1.56814e+02 4.44820e+00 1.82992e+02 209.749 -5.24114e+00 -2.99544e+00 0.00000e+00 0.00000e+00 1.86584e+02 209.749 3.59165e+00 209.749 0.9129 
1 1 1 13 8  2  o 15 4.43260e+02 3.72749e+00 4.67586e+02 247.087 -1.69757e+01 -4.01615e+01 0.00000e+00 0.00000e+00 6.63373e+02 247.087 1.95787e+02 247.087 0.9885 
1 1 1 13 8  3  o 5  4.31102e+02 3.75101e+00 4.26582e+02 251.936 -1.19639e+01 -3.66808e+01 0.00000e+00 0.00000e+00 6.71439e+02 251.936 2.44858e+02 251.936 0.9870 
1 1 1 13 8  4  o 8  2.69599e+02 3.57405e+00 3.39019e+02 156.050 -1.86894e+01 8.30143e+00  0.00000e+00 0.00000e+00 3.39293e+02 156.050 2.74597e-01 156.050 0.9752 
1 1 1 13 8  5  o 11 2.06291e+02 3.93808e+00 3.93782e+02 291.770 6.70492e+00  -1.67893e+01 0.00000e+00 0.00000e+00 1.23290e+02 291.770 2.70491e+02 111.770 0.9719 
1 1 1 13 8  6  o 16 5.14583e+02 4.16889e+00 5.67501e+02 49.058  4.23294e+01  4.87943e+01  0.00000e+00 0.00000e+00 7.48617e+02 49.058  1.81116e+02 49.058  0.9922 
1 1 1 13 8  7  f 0  4.04895e+02 3.67622e+00 2.97990e+02 102.467 -5.73042e+00 2.59184e+01  0.00000e+00 0.00000e+00 7.25269e+02 102.467 4.27279e+02 102.467 0.9810 
1 1 1 13 8  8  o 5  6.02718e+02 4.42428e+00 8.47535e+02 53.287  6.65685e+01  8.92660e+01  0.00000e+00 0.00000e+00 6.97215e+02 53.287  1.50320e+02 233.287 0.9955 
1 1 1 13 8  9  o 13 2.56012e+02 3.88020e+00 3.43918e+02 197.864 -2.01714e+01 -6.50135e+00 0.00000e+00 0.00000e+00 2.98986e+02 197.864 4.49325e+01 17.864  0.9761 
1 1 1 13 8  10 o 5  1.53104e+02 1.50359e+01 2.40796e+02 134.893 -5.82878e+00 5.85061e+00  0.00000e+00 0.00000e+00 1.28108e+02 134.893 1.12689e+02 314.893 0.9373 
1 1 1 13 8  11 o 1  3.76834e+02 1.01887e+01 4.11437e+02 258.787 -6.93230e+00 -3.49680e+01 0.00000e+00 0.00000e+00 5.42690e+02 258.787 1.31253e+02 258.787 0.9859 
1 1 1 13 8  12 f 0  4.54926e+02 4.43932e+00 6.12852e+02 224.581 -4.63135e+01 -4.56407e+01 0.00000e+00 0.00000e+00 5.45336e+02 224.581 6.75163e+01 44.581  0.9923 
1 1 1 13 8  13 o 2  2.51354e+02 3.93756e+00 1.98635e+02 311.374 8.15564e+00  -9.25919e+00 0.00000e+00 0.00000e+00 4.18884e+02 311.374 2.20249e+02 311.374 0.9586 
1 1 1 13 8  14 f 0  3.44807e+02 3.87448e+00 3.41258e+02 190.783 -2.81928e+01 -5.36922e+00 0.00000e+00 0.00000e+00 5.25911e+02 190.783 1.84653e+02 190.783 0.9824 
1 1 1 13 8  15 o 5  2.74110e+02 3.62992e+00 2.57457e+02 48.005  1.30140e+01  1.44560e+01  0.00000e+00 0.00000e+00 4.25112e+02 48.005  1.67656e+02 48.005  0.9739 
1 1 1 13 8  16 o 4  4.07658e+02 3.84536e+00 4.28265e+02 355.453 4.72448e+01  -3.75710e+00 0.00000e+00 0.00000e+00 6.01579e+02 355.453 1.73313e+02 355.453 0.9894 
1 1 1 13 8  17 o 6  3.05975e+02 3.72864e+00 2.95004e+02 21.166  2.39441e+01  9.27090e+00  0.00000e+00 0.00000e+00 4.69792e+02 21.166  1.74788e+02 21.166  0.9803 
1 1 1 13 8  19 o 15 8.98761e+01 7.65892e+00 4.07255e+01 9.041   1.14988e+00  1.82975e-01  0.00000e+00 0.00000e+00 7.38625e+01 9.041   3.31370e+01 9.041   0.5016 
1 1 1 13 8  20 o 9  4.04308e+02 3.96768e+00 4.85971e+02 230.787 -3.95315e+01 -4.84481e+01 0.00000e+00 0.00000e+00 5.31730e+02 230.787 4.57598e+01 230.787 0.9920 
1 1 1 13 8  21 o 13 2.54998e+02 3.96774e+00 3.43472e+02 14.273  3.13298e+01  7.97002e+00  0.00000e+00 0.00000e+00 2.92377e+02 14.273  5.10946e+01 194.273 0.9844 
1 1 1 13 8  22 o 4  7.38235e+01 9.48584e+00 1.20238e+02 99.874  -5.12631e-01 2.94504e+00  0.00000e+00 0.00000e+00 3.07979e+01 99.874  8.94404e+01 279.874 0.8092 
1 1 1 13 8  23 o 14 2.51396e+02 4.37477e+00 2.92022e+02 63.514  1.11555e+01  2.23885e+01  0.00000e+00 0.00000e+00 3.29546e+02 63.514  3.75242e+01 63.514  0.9798 
1 1 1 13 8  25 f 0  1.91789e+02 5.05631e+00 1.50089e+02 85.224  9.99235e-01  1.19604e+01  0.00000e+00 0.00000e+00 3.11339e+02 85.224  1.61250e+02 85.224  0.9574 
1 1 1 13 8  26 o 1  3.03221e+02 3.94590e+00 3.35425e+02 176.254 -4.17035e+01 2.73059e+00  0.00000e+00 0.00000e+00 4.15744e+02 176.254 8.03197e+01 176.254 0.9880 
1 1 1 13 8  27 o 15 3.11255e+02 4.08260e+00 3.43758e+02 52.029  3.07451e+01  3.93935e+01  0.00000e+00 0.00000e+00 4.27093e+02 52.029  8.33347e+01 52.029  0.9899 
1 1 1 13 8  28 o 13 1.88627e+02 4.43061e+00 1.77824e+02 225.701 -1.07288e+01 -1.09948e+01 0.00000e+00 0.00000e+00 2.77367e+02 225.701 9.95433e+01 225.701 0.9669 
1 1 1 13 8  29 o 6  2.46271e+02 3.95529e+00 2.27074e+02 219.174 -1.98482e+01 -1.61729e+01 0.00000e+00 0.00000e+00 3.73971e+02 219.174 1.46896e+02 219.174 0.9803 
1 1 1 13 8  30 o 18 7.94912e+01 8.44325e+00 1.37933e+02 309.799 3.44456e+00  -4.13446e+00 0.00000e+00 0.00000e+00 4.00352e+01 309.799 9.78978e+01 129.799 0.9015 
1 1 1 13 8  31 o 15 2.77119e+02 3.88067e+00 2.98002e+02 165.360 -4.62288e+01 1.20764e+01  0.00000e+00 0.00000e+00 3.81158e+02 165.360 8.31560e+01 165.360 0.9895 
1 1 1 13 8  32 o 12 1.88422e+02 4.29837e+00 2.00035e+02 86.333  1.27772e+00  1.99359e+01  0.00000e+00 0.00000e+00 2.53588e+02 86.333  5.35526e+01 86.333  0.9746 
1 1 1 13 8  33 o 3  1.97433e+02 4.19499e+00 1.88317e+02 100.867 -4.94617e+00 2.57654e+01  0.00000e+00 0.00000e+00 2.88641e+02 100.867 1.00325e+02 100.867 0.9808 
1 1 1 13 8  34 o 15 1.43981e+02 4.83790e+00 1.59540e+02 191.176 -1.62972e+01 -3.21988e+00 0.00000e+00 0.00000e+00 1.83276e+02 191.176 2.37366e+01 191.176 0.9694 
1 1 1 13 8  35 o 18 1.69850e+02 4.34344e+00 2.50858e+02 29.995  2.67891e+01  1.54638e+01  0.00000e+00 0.00000e+00 1.58292e+02 29.995  9.25658e+01 209.995 0.9837 
1 1 1 13 8  36 o 9  1.46994e+02 4.61394e+00 1.46766e+02 156.310 -1.43746e+01 6.30716e+00  0.00000e+00 0.00000e+00 2.00466e+02 156.310 5.37005e+01 156.310 0.9676 
1 1 1 13 8  37 o 5  4.04958e+01 1.00924e+01 8.09426e+01 235.079 -1.37159e+00 -1.96460e+00 0.00000e+00 0.00000e+00 6.71370e+00 55.079  8.76563e+01 55.079  0.7532 
1 1 1 13 8  38 o 7  1.39331e+02 4.63815e+00 1.86090e+02 43.596  1.40906e+01  1.34164e+01  0.00000e+00 0.00000e+00 1.43091e+02 43.596  4.29988e+01 223.596 0.9740 
1 1 1 13 8  39 o 17 2.44722e+02 3.76101e+00 2.84058e+02 65.740  2.70750e+01  6.00761e+01  0.00000e+00 0.00000e+00 3.03106e+02 65.740  1.90478e+01 65.740  0.9924 
1 1 1 13 8  40 o 15 2.13343e+02 3.88421e+00 2.02665e+02 5.296   3.58426e+01  3.32245e+00  0.00000e+00 0.00000e+00 3.04193e+02 5.296   1.01528e+02 5.296   0.9860 
1 1 1 13 8  41 o 13 1.27724e+02 5.27087e+00 9.81412e+01 295.588 5.49818e+00  -1.14815e+01 0.00000e+00 0.00000e+00 1.96234e+02 295.588 9.80927e+01 295.588 0.9599 
1 1 1 13 8  42 o 6  1.04287e+02 5.95558e+00 1.25964e+02 189.478 -1.28988e+01 -2.15345e+00 0.00000e+00 0.00000e+00 1.13805e+02 189.478 1.21594e+01 9.478   0.9610 
1 1 1 13 8  43 o 16 1.03690e+02 6.29197e+00 7.39836e+01 105.359 -2.34940e+00 8.55331e+00  0.00000e+00 0.00000e+00 1.58809e+02 105.359 8.48254e+01 105.359 0.9418 
1 1 1 13 8  44 o 14 7.60382e+01 8.81297e+00 1.29833e+02 133.890 -7.92068e+00 8.23366e+00  0.00000e+00 0.00000e+00 4.26517e+01 133.890 8.71811e+01 313.890 0.9552 
1 1 1 13 8  45 o 18 4.53179e+01 1.11139e+01 5.87139e+01 145.924 -1.92271e+00 1.30058e+00  0.00000e+00 0.00000e+00 2.10583e+01 145.924 3.76556e+01 325.924 0.7441 
1 1 1 13 8  46 o 2  8.58975e+01 7.93347e+00 6.11912e+01 142.729 -5.65318e+00 4.30199e+00  0.00000e+00 0.00000e+00 1.26381e+02 142.729 6.51896e+01 142.729 0.9267 
1 1 1 13 8  47 o 13 4.63872e+01 1.12952e+01 7.32449e+01 265.370 -3.18868e-01 -3.93756e+00 0.00000e+00 0.00000e+00 2.05581e+01 265.370 5.26868e+01 85.370  0.8616 
1 1 1 13 8  48 o 10 4.36850e+01 1.12992e+01 5.77808e+01 73.659  8.98278e-01  3.06365e+00  0.00000e+00 0.00000e+00 2.62843e+01 73.659  3.14965e+01 253.659 0.8233 
1 1 1 13 8  49 f 0  6.34826e+01 9.14180e+00 7.58012e+01 91.077  -1.35602e-01 7.21131e+00  0.00000e+00 0.00000e+00 6.13014e+01 91.077  1.44997e+01 271.077 0.9278 
1 1 1 13 8  50 o 6  4.90816e+01 1.03983e+01 3.12177e+01 318.967 1.65107e+00  -1.43692e+00 0.00000e+00 0.00000e+00 5.14238e+01 318.967 2.02061e+01 318.967 0.7265 
1 1 1 13 8  51 o 19 3.05166e+01 9.43570e+00 2.05767e+01 152.777 -9.15541e-01 4.70998e-01  0.00000e+00 0.00000e+00 1.15905e+01 152.777 8.98621e+00 332.776 0.4568 
1 1 1 13 8  52 o 18 1.13550e+02 5.60841e+00 1.43059e+02 243.718 -1.30553e+01 -2.64364e+01 0.00000e+00 0.00000e+00 1.13352e+02 243.718 2.97068e+01 63.718  0.9829 
1 1 1 13 8  53 o 6  9.98666e+01 6.73062e+00 1.29356e+02 11.675  2.41392e+01  4.98820e+00  0.00000e+00 0.00000e+00 9.43627e+01 11.675  3.49933e+01 191.675 0.9795 
1 1 1 13 8  54 f 0  8.72602e+01 6.94694e+00 1.08139e+02 43.281  1.47906e+01  1.39286e+01  0.00000e+00 0.00000e+00 8.55587e+01 43.281  2.25806e+01 223.281 0.9751 
1 1 1 13 8  55 o 11 5.00514e+01 1.11341e+01 7.00742e+01 18.473  6.36876e+00  2.12757e+00  0.00000e+00 0.00000e+00 3.45117e+01 18.473  3.55625e+01 198.473 0.9222 
1 1 1 13 8  56 o 1  3.55826e+01 1.04073e+01 7.72307e+00 25.944  5.26920e-01  2.56364e-01  0.00000e+00 0.00000e+00 1.48316e+01 25.944  7.10855e+00 25.944  0.2811 
1 1 1 13 8  57 f 0  1.16170e+02 6.05919e+00 9.46368e+01 244.671 -1.22687e+01 -2.59206e+01 0.00000e+00 0.00000e+00 1.61469e+02 244.671 6.68321e+01 244.671 0.9824 
1 1 1 13 8  58 o 12 4.95317e+01 1.19515e+01 5.24111e+01 252.038 -1.73438e+00 -5.35003e+00 0.00000e+00 0.00000e+00 4.78047e+01 252.038 4.60638e+00 72.038  0.9061 
1 1 1 13 9  3  o 9  1.45547e+02 1.11468e+01 1.19883e+02 215.531 -3.26708e+00 -2.33307e+00 0.00000e+00 0.00000e+00 2.05459e+02 215.531 8.55756e+01 215.531 0.8641 
1 1 1 13 9  4  o 18 3.24794e+02 3.61764e+00 2.71824e+02 85.722  1.56187e+00  2.08798e+01  0.00000e+00 0.00000e+00 5.47827e+02 85.722  2.76003e+02 85.722  0.9758 
1 1 1 13 9  5  o 1  3.25541e+02 3.60817e+00 3.85200e+02 277.842 4.04059e+00  -2.93364e+01 0.00000e+00 0.00000e+00 4.42035e+02 277.842 5.68345e+01 277.842 0.9830 
1 1 1 13 9  6  o 19 3.71276e+02 3.78736e+00 3.92813e+02 133.103 -2.50755e+01 2.67935e+01  0.00000e+00 0.00000e+00 5.53367e+02 133.103 1.60554e+02 133.103 0.9863 
1 1 1 13 9  7  o 16 2.71788e+02 3.63538e+00 2.69379e+02 34.065  1.51678e+01  1.02558e+01  0.00000e+00 0.00000e+00 4.13059e+02 34.065  1.43680e+02 34.065  0.9723 
1 1 1 13 9  8  o 8  3.72093e+02 3.63484e+00 3.36071e+02 257.499 -6.71897e+00 -3.03049e+01 0.00000e+00 0.00000e+00 6.08625e+02 257.499 2.72554e+02 257.499 0.9838 
1 1 1 13 9  9  o 2  3.53888e+02 3.69682e+00 4.76393e+02 0.302   4.14927e+01  2.18839e-01  0.00000e+00 0.00000e+00 4.25182e+02 0.302   5.12109e+01 180.302 0.9879 
1 1 1 13 9  10 o 7  2.42483e+02 3.96940e+00 1.76832e+02 18.858  9.88798e+00  3.37736e+00  0.00000e+00 0.00000e+00 4.17299e+02 18.858  2.40467e+02 18.858  0.9509 
1 1 1 13 9  11 o 16 1.32950e+02 5.76038e+00 2.24279e+02 268.643 -1.93943e-01 -8.18551e+00 0.00000e+00 0.00000e+00 9.63553e+01 268.643 1.27924e+02 88.643  0.9368 
1 1 1 13 9  12 o 15 3.12971e+02 3.67505e+00 4.19971e+02 28.026  3.17372e+01  1.68933e+01  0.00000e+00 0.00000e+00 3.73683e+02 28.026  4.62880e+01 208.026 0.9860 
1 1 1 13 9  13 o 16 6.21341e+01 1.05418e+01 7.37863e+01 83.501  1.44058e-01  1.26457e+00  0.00000e+00 0.00000e+00 1.15739e+01 83.501  6.22125e+01 263.501 0.5347 
1 1 1 13 9  14 o 4  3.62008e+02 5.82392e+00 4.28419e+02 352.013 4.32964e+01  -6.07471e+00 0.00000e+00 0.00000e+00 4.89856e+02 352.013 6.14363e+01 352.013 0.9885 
1 1 1 13 9  16 o 12 1.72659e+02 4.95528e+00 2.48661e+02 242.775 -6.36095e+00 -1.23636e+01 0.00000e+00 0.00000e+00 1.77059e+02 242.775 7.16017e+01 62.775  0.9633 
1 1 1 13 9  17 o 12 4.45443e+02 4.10189e+00 4.59082e+02 170.744 -6.46355e+01 1.05338e+01  0.00000e+00 0.00000e+00 6.70683e+02 170.744 2.11601e+02 170.744 0.9923 
1 1 1 13 9  18 o 12 9.52592e+01 7.57669e+00 1.92524e+02 269.724 -3.22394e-02 -6.69919e+00 0.00000e+00 0.00000e+00 3.16187e+01 269.724 1.60906e+02 89.724  0.9220 
1 1 1 13 9  19 o 2  3.13429e+02 4.03522e+00 3.30950e+02 126.144 -2.24353e+01 3.07172e+01  0.00000e+00 0.00000e+00 4.57078e+02 126.144 1.26128e+02 126.144 0.9868 
1 1 1 13 9  20 o 7  1.47896e+02 4.89287e+00 1.62968e+02 95.869  -8.49954e-01 8.26889e+00  0.00000e+00 0.00000e+00 1.89816e+02 95.869  2.68486e+01 95.869  0.9378 
1 1 1 13 9  21 o 13 3.20920e+02 1.89989e+01 3.77945e+02 0.784   4.09070e+01  5.60067e-01  0.00000e+00 0.00000e+00 4.26899e+02 0.784   4.89540e+01 0.784   0.9877 
1 1 1 13 9  23 o 5  2.37510e+02 4.09342e+00 3.26707e+02 1.112   3.25253e+01  6.31313e-01  0.00000e+00 0.00000e+00 2.64776e+02 1.112   6.19316e+01 181.112 0.9845 
1 1 1 13 9  24 o 6  4.56363e+01 1.14483e+01 4.22241e+01 173.643 -8.55179e-01 9.52765e-02  0.00000e+00 0.00000e+00 3.25593e+00 173.643 3.89682e+01 353.643 0.3948 
1 1 1 13 9  25 o 16 1.77200e+02 5.25767e+00 1.94574e+02 53.253  9.61256e+00  1.28741e+01  0.00000e+00 0.00000e+00 2.37685e+02 53.253  4.31110e+01 53.253  0.9684 
1 1 1 13 9  26 o 14 1.40131e+02 5.87885e+00 1.94345e+02 343.235 1.19065e+01  -3.58689e+00 0.00000e+00 0.00000e+00 1.43408e+02 343.235 5.09372e+01 163.235 0.9589 
1 1 1 13 9  27 f 0  4.24842e+01 1.16032e+01 1.50969e+02 278.145 3.92035e-01  -2.73911e+00 0.00000e+00 0.00000e+00 6.66757e+01 98.145  2.17644e+02 98.145  0.7912 
1 1 1 13 9  28 o 10 2.27113e+02 5.22746e+00 1.92838e+02 259.465 -4.07198e+00 -2.18968e+01 0.00000e+00 0.00000e+00 3.62463e+02 259.465 1.69626e+02 259.465 0.9773 
1 1 1 13 9  29 o 11 1.65568e+02 6.16912e+00 2.37996e+02 198.589 -1.85013e+01 -6.22232e+00 0.00000e+00 0.00000e+00 1.64489e+02 198.589 7.35065e+01 18.589  0.9740 
1 1 1 13 9  30 o 9  3.13017e+02 6.00299e+00 2.70456e+02 141.751 -3.75170e+01 2.95749e+01  0.00000e+00 0.00000e+00 5.00562e+02 141.751 2.30107e+02 141.751 0.9895 
1 1 1 13 9  31 o 14 9.61532e+01 7.49351e+00 1.22690e+02 291.951 2.25882e+00  -5.60466e+00 0.00000e+00 0.00000e+00 9.52773e+01 291.951 2.74125e+01 111.951 0.9130 
1 1 1 13 9  32 o 3  2.47029e+02 4.07583e+00 3.13181e+02 95.001  -4.72532e+00 5.39998e+01  0.00000e+00 0.00000e+00 2.92817e+02 95.001  2.03644e+01 275.001 0.9907 
1 1 1 13 9  33 o 8  1.94267e+02 4.15659e+00 1.81211e+02 81.334  3.82861e+00  2.51211e+01  0.00000e+00 0.00000e+00 2.88932e+02 81.334  1.07721e+02 81.334  0.9801 
1 1 1 13 9  34 o 4  1.78087e+02 4.22650e+00 2.53021e+02 317.705 2.40673e+01  -2.18956e+01 0.00000e+00 0.00000e+00 1.78645e+02 317.705 7.43761e+01 137.705 0.9845 
1 1 1 13 9  35 o 12 2.84433e+01 9.14754e+00 3.67298e+01 141.196 -5.58256e-01 4.48915e-01  0.00000e+00 0.00000e+00 1.31996e+01 321.196 4.99294e+01 321.196 0.3370 
1 1 1 13 9  36 o 16 1.09837e+02 5.93937e+00 1.14382e+02 306.949 5.83930e+00  -7.76346e+00 0.00000e+00 0.00000e+00 1.40177e+02 306.949 2.57946e+01 306.949 0.9470 
1 1 1 13 9  37 o 2  8.34815e+01 7.36480e+00 1.15065e+02 44.475  4.97394e+00  4.88364e+00  0.00000e+00 0.00000e+00 7.33569e+01 44.475  4.17083e+01 224.475 0.9252 
1 1 1 13 9  38 o 12 2.95013e+01 9.41761e+00 4.51802e+01 153.257 -1.03629e+00 5.22176e-01  0.00000e+00 0.00000e+00 9.28671e+00 333.257 5.44669e+01 333.257 0.5004 
1 1 1 13 9  39 o 14 2.61342e+02 4.55027e+00 2.94086e+02 286.491 2.28012e+01  -7.70184e+01 0.00000e+00 0.00000e+00 3.35342e+02 286.491 4.12564e+01 286.491 0.9938 
1 1 1 13 9  40 o 14 1.70585e+02 5.47765e+00 1.36098e+02 229.313 -1.60514e+01 -1.86703e+01 0.00000e+00 0.00000e+00 2.67467e+02 229.313 1.31369e+02 229.313 0.9795 
1 1 1 13 9  41 f 0  1.67305e+02 4.52844e+00 1.54668e+02 151.747 -2.30765e+01 1.24012e+01  0.00000e+00 0.00000e+00 2.40257e+02 151.747 8.55882e+01 151.747 0.9807 
1 1 1 13 9  42 o 12 8.84572e+01 7.32490e+00 8.71114e+01 69.507  3.05833e+00  8.18295e+00  0.00000e+00 0.00000e+00 1.12497e+02 69.507  2.53853e+01 69.507  0.9409 
1 1 1 13 9  44 o 15 9.09915e+01 6.86684e+00 1.03525e+02 55.144  7.39377e+00  1.06163e+01  0.00000e+00 0.00000e+00 1.04539e+02 55.144  1.01415e+00 55.144  0.9605 
1 1 1 13 9  45 o 6  1.15910e+02 5.77219e+00 1.15031e+02 354.881 1.88624e+01  -1.68955e+00 0.00000e+00 0.00000e+00 1.52486e+02 354.881 3.74549e+01 354.881 0.9732 
1 1 1 13 9  46 o 10 1.56676e+02 4.66622e+00 1.93694e+02 171.866 -4.09067e+01 5.84681e+00  0.00000e+00 0.00000e+00 1.71893e+02 171.866 2.18011e+01 351.866 0.9878 
1 1 1 13 9  47 o 16 8.90213e+01 6.83794e+00 7.64262e+01 86.997  5.13196e-01  9.78188e+00  0.00000e+00 0.00000e+00 1.22017e+02 86.997  4.55911e+01 86.997  0.9475 
1 1 1 13 9  48 o 10 1.05851e+02 6.03087e+00 1.21563e+02 335.499 1.91789e+01  -8.74078e+00 0.00000e+00 0.00000e+00 1.20498e+02 335.499 1.06509e+00 155.499 0.9760 
1 1 1 13 9  49 o 5  3.40914e+01 9.93990e+00 5.45192e+01 193.516 -2.59463e+00 -6.23663e-01 0.00000e+00 0.00000e+00 7.69735e+00 193.516 4.68218e+01 13.516  0.7821 
1 1 1 13 9  50 o 1  8.32707e+01 7.35201e+00 7.14622e+01 318.280 7.82496e+00  -6.97656e+00 0.00000e+00 0.00000e+00 1.12533e+02 318.280 4.10709e+01 318.280 0.9510 
1 1 1 13 9  51 o 16 9.69818e+01 6.45485e+00 1.05357e+02 86.140  1.22738e+00  1.81914e+01  0.00000e+00 0.00000e+00 1.12745e+02 86.140  7.38888e+00 86.140  0.9722 
1 1 1 13 9  52 o 17 5.77237e+01 1.02249e+01 4.93333e+01 167.214 -4.70671e+00 1.06809e+00  0.00000e+00 0.00000e+00 6.88743e+01 167.214 1.95410e+01 167.214 0.8892 
1 1 1 13 9  53 o 4  3.19408e+01 9.84251e+00 4.40505e+01 30.664  2.33605e+00  1.38506e+00  0.00000e+00 0.00000e+00 1.35475e+01 30.664  3.05030e+01 210.664 0.7866 
1 1 1 13 9  54 o 15 3.38600e+01 1.01846e+01 3.67133e+01 331.250 2.18964e+00  -1.20127e+00 0.00000e+00 0.00000e+00 2.23769e+01 331.250 1.43364e+01 151.250 0.7647 
1 1 1 13 9  55 o 17 4.91047e+01 1.15398e+01 7.09057e+01 350.484 6.92795e+00  -1.16132e+00 0.00000e+00 0.00000e+00 3.23523e+01 350.484 3.85534e+01 170.484 0.9258 
1 1 1 13 9  56 o 2  3.12333e+01 9.85801e+00 6.11065e+01 102.200 -8.97376e-01 4.15037e+00  0.00000e+00 0.00000e+00 4.84527e-01 102.200 6.06220e+01 282.200 0.8724 
1 1 1 13 9  57 o 12 3.63862e+01 1.14972e+01 5.90353e+00 30.658  4.12083e-01  2.44270e-01  0.00000e+00 0.00000e+00 1.31596e+01 30.658  7.25612e+00 30.658  0.2329 
1 1 1 13 10 0  o 8  2.42737e+01 1.61451e+01 6.56121e+01 180.000 -2.12564e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.24211e+01 0.000   1.18033e+02 0.000   0.2094 
1 1 1 13 10 1  o 15 5.44582e+02 4.20770e+00 6.39440e+02 194.118 -9.37603e+01 -2.35815e+01 0.00000e+00 0.00000e+00 7.66319e+02 194.118 1.26879e+02 194.118 0.9948 
1 1 1 13 10 2  o 12 2.29516e+02 4.09574e+00 3.27037e+02 217.880 -1.64307e+01 -1.27819e+01 0.00000e+00 0.00000e+00 2.53954e+02 217.880 7.30836e+01 37.880  0.9757 
1 1 1 13 10 3  o 5  1.85595e+02 4.63659e+00 1.47652e+02 231.635 -4.69805e+00 -5.93482e+00 0.00000e+00 0.00000e+00 3.00734e+02 231.635 1.53082e+02 231.635 0.9314 
1 1 1 13 10 4  o 9  2.39246e+02 4.03127e+00 3.02562e+02 110.427 -6.96863e+00 1.87106e+01  0.00000e+00 0.00000e+00 3.02093e+02 110.427 4.69225e-01 290.427 0.9746 
1 1 1 13 10 5  o 12 4.54699e+02 3.90814e+00 4.85362e+02 24.331  5.52524e+01  2.49835e+01  0.00000e+00 0.00000e+00 6.83516e+02 24.331  1.98154e+02 24.331  0.9917 
1 1 1 13 10 6  o 1  3.80817e+02 3.91604e+00 3.40324e+02 285.589 9.52044e+00  -3.41232e+01 0.00000e+00 0.00000e+00 6.32309e+02 285.589 2.91985e+02 285.589 0.9858 
1 1 1 13 10 7  o 9  7.71185e+02 5.27011e+00 8.16581e+02 335.472 1.64818e+02  -7.52093e+01 0.00000e+00 0.00000e+00 1.17484e+03 335.472 3.58260e+02 335.472 0.9972 
1 1 1 13 10 8  o 11 3.63118e+02 3.83601e+00 4.20147e+02 291.355 1.59480e+01  -4.07885e+01 0.00000e+00 0.00000e+00 5.08728e+02 291.355 8.85815e+01 291.355 0.9885 
1 1 1 13 10 11 o 12 2.23027e+02 4.00271e+00 2.08151e+02 130.332 -9.88570e+00 1.16435e+01  0.00000e+00 0.00000e+00 3.48397e+02 130.332 1.40246e+02 130.332 0.9667 
1 1 1 13 10 12 o 16 2.31279e+02 4.06785e+00 2.80180e+02 83.956  2.22182e+00  2.09842e+01  0.00000e+00 0.00000e+00 3.01947e+02 83.956  2.17662e+01 83.956  0.9760 
1 1 1 13 10 13 o 1  5.09840e+02 4.04859e+00 5.32762e+02 93.670  -5.60062e+00 8.73209e+01  0.00000e+00 0.00000e+00 7.73098e+02 93.670  2.40337e+02 93.670  0.9943 
1 1 1 13 10 14 o 14 4.56958e+02 3.84815e+00 4.87599e+02 120.879 -4.30099e+01 7.19240e+01  0.00000e+00 0.00000e+00 6.81151e+02 120.879 1.93552e+02 120.879 0.9940 
1 1 1 13 10 15 o 19 2.05035e+02 3.89848e+00 3.30679e+02 194.962 -2.43339e+01 -6.50300e+00 0.00000e+00 0.00000e+00 1.85664e+02 194.962 1.45015e+02 14.962  0.9799 
1 1 1 13 10 16 o 10 2.93404e+02 3.72878e+00 3.57739e+02 350.662 3.64541e+01  -5.99412e+00 0.00000e+00 0.00000e+00 3.84998e+02 350.662 2.72591e+01 350.662 0.9864 
1 1 1 13 10 17 o 2  2.22575e+02 3.98344e+00 2.66234e+02 246.791 -8.09866e+00 -1.88875e+01 0.00000e+00 0.00000e+00 2.90119e+02 246.791 2.38853e+01 246.791 0.9754 
1 1 1 13 10 20 o 16 5.30524e+01 1.04631e+01 1.59933e+01 320.358 2.63337e-01  -2.18173e-01 0.00000e+00 0.00000e+00 6.81148e+00 320.358 9.18184e+00 140.358 0.1685 
1 1 1 13 10 21 o 16 1.41721e+02 5.71461e+00 2.06022e+02 75.264  3.06770e+00  1.16634e+01  0.00000e+00 0.00000e+00 1.39505e+02 75.264  6.65164e+01 255.264 0.9576 
1 1 1 13 10 22 o 11 1.36850e+02 6.08245e+00 1.77227e+02 154.212 -1.02564e+01 4.95547e+00  0.00000e+00 0.00000e+00 1.54915e+02 154.212 2.23128e+01 334.212 0.9550 
1 1 1 13 10 23 o 15 2.43069e+02 4.52094e+00 2.24798e+02 233.684 -1.51375e+01 -2.05949e+01 0.00000e+00 0.00000e+00 3.79533e+02 233.684 1.54736e+02 233.684 0.9802 
1 1 1 13 10 24 o 2  6.97423e+01 1.05657e+01 2.63186e+01 79.578  1.44944e-01  7.88010e-01  0.00000e+00 0.00000e+00 3.92755e+01 79.578  1.29568e+01 79.578  0.3716 
1 1 1 13 10 25 o 19 3.27210e+02 4.25573e+00 3.48672e+02 295.731 2.28087e+01  -4.73269e+01 0.00000e+00 0.00000e+00 4.69922e+02 295.731 1.21250e+02 295.731 0.9904 
1 1 1 13 10 26 o 19 1.29109e+02 6.66722e+00 1.23666e+02 117.404 -3.70339e+00 7.14344e+00  0.00000e+00 0.00000e+00 1.80786e+02 117.404 5.71205e+01 117.404 0.9356 
1 1 1 13 10 27 o 9  1.40366e+02 5.24695e+00 2.34916e+02 305.065 1.10053e+01  -1.56792e+01 0.00000e+00 0.00000e+00 1.08708e+02 305.065 1.26208e+02 125.065 0.9735 
1 1 1 13 10 28 o 2  1.81838e+02 4.79525e+00 9.64612e+01 112.883 -3.66176e+00 8.67597e+00  0.00000e+00 0.00000e+00 3.34757e+02 112.883 2.38296e+02 112.883 0.9453 
1 1 1 13 10 29 o 5  2.92735e+02 4.15407e+00 3.37407e+02 45.002  3.69054e+01  3.69084e+01  0.00000e+00 0.00000e+00 3.88102e+02 45.002  5.06955e+01 45.002  0.9904 
1 1 1 13 10 30 o 17 9.49533e+01 7.67051e+00 6.46823e+01 339.386 3.91245e+00  -1.47167e+00 0.00000e+00 0.00000e+00 1.41545e+02 339.386 7.68628e+01 339.386 0.8701 
1 1 1 13 10 31 o 17 6.50729e+01 1.10386e+01 3.85315e+01 129.080 -1.05134e+00 1.29458e+00  0.00000e+00 0.00000e+00 6.43303e+01 129.080 2.57988e+01 129.080 0.6349 
1 1 1 13 10 32 o 18 6.09743e+01 1.11337e+01 4.92267e+01 308.702 1.24877e+00  -1.55859e+00 0.00000e+00 0.00000e+00 5.63363e+01 308.702 7.10963e+00 308.702 0.6973 
1 1 1 13 10 33 o 7  1.96262e+02 4.69777e+00 2.62235e+02 206.431 -3.36993e+01 -1.67513e+01 0.00000e+00 0.00000e+00 2.17179e+02 206.431 4.50559e+01 26.431  0.9866 
1 1 1 13 10 34 f 0  1.43649e+02 5.25470e+00 1.34479e+02 2.170   1.52182e+01  5.76769e-01  0.00000e+00 0.00000e+00 2.08297e+02 2.170   7.38182e+01 2.170   0.9666 
1 1 1 13 10 35 o 14 4.94347e+01 1.13253e+01 3.08193e+01 356.734 1.04778e+00  -5.97930e-02 0.00000e+00 0.00000e+00 2.55959e+01 356.734 5.22334e+00 176.734 0.4636 
1 1 1 13 10 36 o 11 2.27239e+02 4.35652e+00 2.90222e+02 251.205 -2.02564e+01 -5.95205e+01 0.00000e+00 0.00000e+00 2.62932e+02 251.205 2.72899e+01 71.205  0.9920 
1 1 1 13 10 37 o 19 1.55500e+02 4.85710e+00 1.68689e+02 358.708 2.19273e+01  -4.94326e-01 0.00000e+00 0.00000e+00 2.02909e+02 358.708 3.42199e+01 358.708 0.9769 
1 1 1 13 10 38 o 17 1.26802e+02 5.34856e+00 2.00053e+02 127.927 -1.60451e+01 2.05904e+01  0.00000e+00 0.00000e+00 1.03136e+02 127.927 9.69171e+01 307.927 0.9807 
1 1 1 13 10 39 o 6  9.94859e+01 6.44248e+00 7.68498e+01 18.120  7.55537e+00  2.47241e+00  0.00000e+00 0.00000e+00 1.49153e+02 18.120  7.23033e+01 18.120  0.9348 
1 1 1 13 10 40 o 16 7.38080e+01 8.93511e+00 9.06378e+01 35.753  6.03671e+00  4.34635e+00  0.00000e+00 0.00000e+00 7.56250e+01 35.753  1.50128e+01 215.753 0.9301 
1 1 1 13 10 41 o 9  8.72838e+01 7.20710e+00 1.07039e+02 175.314 -1.13670e+01 9.31745e-01  0.00000e+00 0.00000e+00 9.41551e+01 175.314 1.28839e+01 355.314 0.9551 
1 1 1 13 10 43 o 19 5.87344e+01 1.00468e+01 5.91741e+01 268.089 -1.45936e-01 -4.37342e+00 0.00000e+00 0.00000e+00 6.41824e+01 268.089 5.00833e+00 268.089 0.8766 
1 1 1 13 10 44 o 15 6.04431e+01 1.02862e+01 8.85928e+01 206.777 -5.83455e+00 -2.94428e+00 0.00000e+00 0.00000e+00 4.41360e+01 206.777 4.44568e+01 26.777  0.9199 
1 1 1 13 10 45 o 2  1.18492e+02 6.71517e+00 1.08634e+02 260.149 -3.09495e+00 -1.78234e+01 0.00000e+00 0.00000e+00 1.65223e+02 260.149 5.65887e+01 260.149 0.9720 
1 1 1 13 10 46 o 13 1.23555e+02 5.81408e+00 1.37531e+02 205.070 -2.26452e+01 -1.05933e+01 0.00000e+00 0.00000e+00 1.49201e+02 205.070 1.16706e+01 205.070 0.9798 
1 1 1 13 10 47 o 3  3.86980e+01 1.07108e+01 7.03821e+01 310.285 2.53850e+00  -2.99484e+00 0.00000e+00 0.00000e+00 8.18440e+00 310.285 6.21977e+01 130.285 0.8606 
1 1 1 13 10 48 o 6  3.85991e+01 1.07811e+01 9.82426e+01 292.746 2.04447e+00  -4.87655e+00 0.00000e+00 0.00000e+00 1.66570e+01 112.746 1.14900e+02 112.746 0.8997 
1 1 1 13 10 49 o 10 6.60054e+01 9.97659e+00 3.44992e+01 349.987 3.60464e+00  -6.36457e-01 0.00000e+00 0.00000e+00 9.66191e+01 349.987 6.21198e+01 349.987 0.8491 
1 1 1 13 10 50 o 2  1.01921e+02 6.61842e+00 1.06259e+02 60.713  9.42580e+00  1.68055e+01  0.00000e+00 0.00000e+00 1.24935e+02 60.713  1.86762e+01 60.713  0.9737 
1 1 1 13 10 51 o 17 3.57528e+01 1.04297e+01 4.84789e+01 66.480  1.25952e+00  2.89396e+00  0.00000e+00 0.00000e+00 1.95975e+01 66.480  2.88814e+01 246.480 0.8209 
1 1 1 13 10 52 f 0  1.27005e+02 5.64443e+00 1.18508e+02 115.313 -1.45463e+01 3.07543e+01  0.00000e+00 0.00000e+00 1.70433e+02 115.313 5.19247e+01 115.313 0.9852 
1 1 1 13 10 53 o 15 3.58057e+01 1.04374e+01 3.67424e+01 102.137 -5.51683e-01 2.56535e+00  0.00000e+00 0.00000e+00 2.72813e+01 102.137 9.46110e+00 282.137 0.7778 
1 1 1 13 10 54 o 8  2.87471e+01 9.30388e+00 1.03156e+01 148.906 -5.74638e-01 3.46563e-01  0.00000e+00 0.00000e+00 1.05993e+01 148.906 2.83754e-01 148.906 0.3180 
1 1 1 13 10 55 o 15 8.74627e+01 8.76116e+00 1.03884e+02 216.186 -1.72414e+01 -1.26121e+01 0.00000e+00 0.00000e+00 9.05900e+01 216.186 1.32944e+01 36.186  0.9763 
1 1 1 13 11 0  o 6  2.29829e+02 8.64393e+00 3.46930e+02 180.000 -1.30135e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.51243e+02 180.000 9.56874e+01 0.000   1.0000 
1 1 1 13 11 1  o 6  1.42390e+02 5.71933e+00 2.15469e+02 304.353 5.65992e+00  -8.28080e+00 0.00000e+00 0.00000e+00 1.36122e+02 304.353 7.93471e+01 124.353 0.9488 
1 1 1 13 11 2  o 3  4.98929e+02 4.23167e+00 6.33362e+02 133.318 -7.12311e+01 7.55405e+01  0.00000e+00 0.00000e+00 6.58701e+02 133.318 2.53385e+01 133.318 0.9952 
1 1 1 13 11 3  o 16 2.72085e+02 3.95073e+00 3.85184e+02 3.669   3.43228e+01  2.20107e+00  0.00000e+00 0.00000e+00 3.12324e+02 3.669   7.28607e+01 183.669 0.9854 
1 1 1 13 11 4  o 13 1.42515e+02 5.71728e+00 2.03168e+02 305.200 5.42122e+00  -7.68499e+00 0.00000e+00 0.00000e+00 1.47198e+02 305.200 5.59703e+01 125.200 0.9452 
1 1 1 13 11 5  o 17 2.89753e+02 3.90558e+00 2.93492e+02 323.988 2.24210e+01  -1.62971e+01 0.00000e+00 0.00000e+00 4.46114e+02 323.988 1.52621e+02 323.988 0.9818 
1 1 1 13 11 6  o 19 2.48776e+02 3.98265e+00 2.44235e+02 220.486 -1.49867e+01 -1.27938e+01 0.00000e+00 0.00000e+00 3.85622e+02 220.486 1.41387e+02 220.486 0.9743 
1 1 1 13 11 7  o 9  3.19719e+02 3.77054e+00 3.90083e+02 143.478 -3.81797e+01 2.82743e+01  0.00000e+00 0.00000e+00 4.31501e+02 143.478 4.14188e+01 143.478 0.9894 
1 1 1 13 11 8  o 19 2.34424e+02 3.99813e+00 2.33418e+02 59.356  1.05484e+01  1.78049e+01  0.00000e+00 0.00000e+00 3.60145e+02 59.356  1.26727e+02 59.356  0.9755 
1 1 1 13 11 9  f 0  5.20115e+02 4.14776e+00 5.40555e+02 120.404 -5.34014e+01 9.10045e+01  0.00000e+00 0.00000e+00 8.02011e+02 120.404 2.61455e+02 120.404 0.9953 
1 1 1 13 11 10 o 12 1.98275e+02 4.35143e+00 1.06358e+02 54.921  4.50877e+00  6.42042e+00  0.00000e+00 0.00000e+00 3.73507e+02 54.921  2.67149e+02 54.921  0.9339 
1 1 1 13 11 11 o 16 1.14984e+02 5.99688e+00 1.81787e+02 55.275  4.17965e+00  6.03061e+00  0.00000e+00 0.00000e+00 9.48205e+01 55.275  8.69660e+01 235.275 0.9291 
1 1 1 13 11 12 o 13 2.14270e+02 4.18017e+00 2.61505e+02 141.525 -1.53794e+01 1.22222e+01  0.00000e+00 0.00000e+00 2.78423e+02 141.525 1.69179e+01 141.525 0.9742 
1 1 1 13 11 13 o 14 3.54132e+02 4.45787e+00 5.51249e+02 280.850 1.27355e+01  -6.64473e+01 0.00000e+00 0.00000e+00 3.56961e+02 280.850 1.94287e+02 100.850 0.9926 
1 1 1 13 11 16 o 10 3.63824e+01 1.07780e+01 4.59637e+01 221.145 -5.10858e-01 -4.46359e-01 0.00000e+00 0.00000e+00 1.58950e+01 41.145  6.18587e+01 41.145  0.3211 
1 1 1 13 11 17 o 9  3.34766e+02 3.78471e+00 3.68504e+02 82.410  6.89201e+00  5.17229e+01  0.00000e+00 0.00000e+00 4.83705e+02 82.410  1.15201e+02 82.410  0.9904 
1 1 1 13 11 18 o 5  2.79552e+02 3.75370e+00 4.14349e+02 319.471 4.26216e+01  -3.64397e+01 0.00000e+00 0.00000e+00 2.96710e+02 319.471 1.17639e+02 139.471 0.9910 
1 1 1 13 11 19 o 15 1.88169e+02 4.21365e+00 1.16929e+02 286.533 2.98452e+00  -1.00542e+01 0.00000e+00 0.00000e+00 3.41650e+02 286.533 2.24720e+02 286.533 0.9511 
1 1 1 13 11 20 o 15 1.06324e+02 6.00856e+00 1.39499e+02 44.266  4.94776e+00  4.82261e+00  0.00000e+00 0.00000e+00 1.11959e+02 44.266  2.75399e+01 224.266 0.9245 
1 1 1 13 11 21 o 7  1.42267e+02 5.31506e+00 1.93400e+02 331.441 1.11407e+01  -6.06369e+00 0.00000e+00 0.00000e+00 1.55269e+02 331.441 3.81310e+01 151.441 0.9597 
1 1 1 13 11 22 o 1  2.21263e+02 4.04617e+00 3.52236e+02 156.488 -3.32649e+01 1.44720e+01  0.00000e+00 0.00000e+00 2.03913e+02 156.488 1.48323e+02 336.488 0.9861 
1 1 1 13 11 23 f 0  1.82687e+02 4.41130e+00 2.37693e+02 39.285  1.74138e+01  1.42453e+01  0.00000e+00 0.00000e+00 2.16608e+02 39.285  2.10845e+01 219.285 0.9775 
1 1 1 13 11 24 f 0  1.43729e+02 5.22240e+00 1.19354e+02 220.465 -6.61964e+00 -5.64668e+00 0.00000e+00 0.00000e+00 2.23888e+02 220.465 1.04534e+02 220.465 0.9406 
1 1 1 13 11 25 o 17 3.98891e+01 1.07415e+01 6.40482e+01 203.310 -1.27680e+00 -5.50135e-01 0.00000e+00 0.00000e+00 6.66655e+00 23.310  7.07147e+01 23.310  0.5678 
1 1 1 13 11 26 o 6  1.62654e+02 5.37229e+00 2.02674e+02 73.024  5.13754e+00  1.68297e+01  0.00000e+00 0.00000e+00 1.96636e+02 73.024  6.03795e+00 253.024 0.9712 
1 1 1 13 11 27 o 19 1.56766e+02 5.23823e+00 1.57600e+02 335.150 1.59732e+01  -7.39767e+00 0.00000e+00 0.00000e+00 2.26380e+02 335.150 6.87804e+01 335.150 0.9712 
1 1 1 13 11 28 o 3  2.65237e+02 4.18800e+00 2.59205e+02 3.587   5.10099e+01  3.19732e+00  0.00000e+00 0.00000e+00 4.01604e+02 3.587   1.42399e+02 3.587   0.9902 
1 1 1 13 11 29 o 5  3.90565e+01 1.12857e+01 3.47243e+00 158.982 -8.39744e-02 3.22644e-02  0.00000e+00 0.00000e+00 9.32469e-01 158.982 2.53996e+00 338.982 0.0449 
1 1 1 13 11 30 o 9  4.23754e+01 1.15185e+01 6.67899e+01 323.749 1.51241e+00  -1.10897e+00 0.00000e+00 0.00000e+00 4.94995e+00 323.749 6.18400e+01 143.749 0.6762 
1 1 1 13 11 31 o 16 2.37521e+02 4.44522e+00 1.76691e+02 79.094  5.85037e+00  3.03626e+01  0.00000e+00 0.00000e+00 4.06727e+02 79.094  2.30036e+02 79.094  0.9837 
1 1 1 13 11 32 o 3  9.03202e+01 7.97835e+00 1.59801e+02 295.649 4.78718e+00  -9.96957e+00 0.00000e+00 0.00000e+00 5.46934e+01 295.649 1.05107e+02 115.649 0.9537 
1 1 1 13 11 33 o 2  1.25682e+02 6.01374e+00 1.08461e+02 46.576  7.05497e+00  7.45419e+00  0.00000e+00 0.00000e+00 1.88020e+02 46.576  7.95585e+01 46.576  0.9500 
1 1 1 13 11 34 o 15 1.13681e+02 6.13255e+00 8.50916e+01 348.285 8.91382e+00  -1.84839e+00 0.00000e+00 0.00000e+00 1.80451e+02 348.285 9.53589e+01 348.285 0.9434 
1 1 1 13 11 35 o 11 7.53670e+01 8.84513e+00 1.32797e+02 121.766 -4.21054e+00 6.79989e+00  0.00000e+00 0.00000e+00 4.12096e+01 121.766 9.15874e+01 301.766 0.9352 
1 1 1 13 11 36 o 10 4.50240e+01 1.14467e+01 4.53816e+01 6.066   1.86870e+00  1.98586e-01  0.00000e+00 0.00000e+00 2.96277e+01 6.066   1.57539e+01 186.066 0.6769 
1 1 1 13 11 37 o 3  1.53027e+02 5.44590e+00 1.23939e+02 171.355 -2.00309e+01 3.04543e+00  0.00000e+00 0.00000e+00 2.42115e+02 171.355 1.18176e+02 171.355 0.9750 
1 1 1 13 11 38 o 7  2.37973e+02 4.44942e+00 2.55319e+02 318.787 4.67265e+01  -4.09248e+01 0.00000e+00 0.00000e+00 3.21942e+02 318.787 6.66234e+01 318.787 0.9919 
1 1 1 13 11 39 o 4  6.82976e+01 1.02828e+01 1.11147e+02 344.268 8.35756e+00  -2.35426e+00 0.00000e+00 0.00000e+00 4.54202e+01 344.268 6.57263e+01 164.268 0.9405 
1 1 1 13 11 41 o 12 4.07462e+01 1.07455e+01 9.14638e+01 300.894 2.38629e+00  -3.98810e+00 0.00000e+00 0.00000e+00 4.22296e+00 120.894 9.56867e+01 120.894 0.8845 
1 1 1 13 11 42 o 16 7.47381e+01 8.34778e+00 7.03719e+01 123.424 -3.92671e+00 5.94963e+00  0.00000e+00 0.00000e+00 9.67250e+01 123.424 2.63531e+01 123.424 0.9269 
1 1 1 13 11 43 o 6  8.72427e+01 7.49456e+00 1.39156e+02 177.401 -1.58828e+01 7.20968e-01  0.00000e+00 0.00000e+00 6.37968e+01 177.401 7.53596e+01 357.401 0.9680 
1 1 1 13 11 44 o 8  8.68224e+01 7.21556e+00 7.02639e+01 172.209 -8.76513e+00 1.19926e+00  0.00000e+00 0.00000e+00 1.25476e+02 172.209 5.52117e+01 172.209 0.9417 
1 1 1 13 11 45 o 10 7.40604e+01 8.62274e+00 7.51698e+01 121.417 -4.50024e+00 7.36752e+00  0.00000e+00 0.00000e+00 9.08938e+01 121.417 1.57240e+01 121.417 0.9402 
1 1 1 13 11 46 o 18 3.51217e+01 1.03275e+01 4.07952e+01 113.353 -8.27361e-01 1.91624e+00  0.00000e+00 0.00000e+00 1.85774e+01 113.353 2.22178e+01 293.353 0.7116 
1 1 1 13 11 47 o 5  2.81234e+01 9.13345e+00 8.24195e+00 233.151 -2.34921e-01 -3.13463e-01 0.00000e+00 0.00000e+00 4.54759e+00 233.151 3.69437e+00 53.151  0.1922 
1 1 1 13 11 48 o 10 1.26106e+02 5.92599e+00 1.12140e+02 171.639 -2.55522e+01 3.75542e+00  0.00000e+00 0.00000e+00 1.79210e+02 171.639 6.70701e+01 171.639 0.9804 
1 1 1 13 11 49 o 16 7.11693e+01 9.17787e+00 6.02579e+01 41.014  5.81648e+00  5.05873e+00  0.00000e+00 0.00000e+00 9.55059e+01 41.014  3.52480e+01 41.014  0.9327 
1 1 1 13 11 50 o 4  5.35966e+01 1.09798e+01 2.76317e+01 339.969 2.46807e+00  -8.99800e-01 0.00000e+00 0.00000e+00 6.98169e+01 339.969 4.21852e+01 339.969 0.7781 
1 1 1 13 11 51 o 1  4.12674e+01 1.04266e+01 5.77460e+01 120.831 -2.46670e+00 4.13281e+00  0.00000e+00 0.00000e+00 2.75900e+01 120.831 3.01560e+01 300.831 0.8889 
1 1 1 13 11 52 o 8  4.17725e+01 1.09338e+01 7.85741e+01 330.555 5.56039e+00  -3.13883e+00 0.00000e+00 0.00000e+00 1.02389e+01 330.555 6.83352e+01 150.555 0.9180 
1 1 1 13 11 53 o 7  6.08171e+01 1.04727e+01 5.97070e+01 76.741  1.84947e+00  7.84899e+00  0.00000e+00 0.00000e+00 7.15104e+01 76.741  1.18033e+01 76.741  0.9358 
1 1 1 13 11 54 o 13 5.52693e+01 1.09847e+01 6.55171e+01 109.371 -2.52572e+00 7.18392e+00  0.00000e+00 0.00000e+00 5.26800e+01 109.371 1.28371e+01 289.371 0.9318 
1 1 1 13 12 0  o 7  1.72086e+02 6.84599e+00 2.88141e+02 0.000   8.72453e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.61212e+02 0.000   1.26929e+02 180.000 1.0000 
1 1 1 13 12 1  o 11 9.10386e+01 8.08139e+00 1.94881e+02 55.614  3.45804e+00  5.05299e+00  0.00000e+00 0.00000e+00 2.24405e+01 55.614  1.72441e+02 235.614 0.9142 
1 1 1 13 12 2  o 3  3.17377e+02 3.79861e+00 3.40718e+02 204.285 -3.47718e+01 -1.56890e+01 0.00000e+00 0.00000e+00 4.76943e+02 204.285 1.36224e+02 204.285 0.9868 
1 1 1 13 12 3  o 3  1.09173e+02 6.98629e+00 6.89015e+01 284.142 6.36926e-01  -2.52788e+00 0.00000e+00 0.00000e+00 1.52268e+02 284.142 8.33669e+01 284.142 0.7761 
1 1 1 13 12 4  o 16 1.13184e+02 7.12596e+00 1.40006e+02 177.883 -5.46744e+00 2.02147e-01  0.00000e+00 0.00000e+00 1.26769e+02 177.883 1.32369e+01 357.883 0.9033 
1 1 1 13 12 10 o 10 1.54309e+02 5.71700e+00 1.78123e+02 343.886 1.13260e+01  -3.27208e+00 0.00000e+00 0.00000e+00 2.05663e+02 343.886 2.75402e+01 343.886 0.9566 
1 1 1 13 12 11 o 3  1.05539e+02 6.61951e+00 9.81409e+01 27.978  3.86792e+00  2.05467e+00  0.00000e+00 0.00000e+00 1.42203e+02 27.978  4.40619e+01 27.978  0.8767 
1 1 1 13 12 12 o 1  1.29590e+02 5.35954e+00 1.47585e+02 288.410 2.55268e+00  -7.66939e+00 0.00000e+00 0.00000e+00 1.67159e+02 288.410 1.95736e+01 288.410 0.9359 
1 1 1 13 12 13 o 3  2.08992e+02 4.03987e+00 2.08370e+02 16.115  2.04456e+01  5.90724e+00  0.00000e+00 0.00000e+00 3.20502e+02 16.115  1.12132e+02 16.115  0.9762 
1 1 1 13 12 14 o 11 1.89945e+02 4.18361e+00 1.68993e+02 352.568 1.53942e+01  -2.00799e+00 0.00000e+00 0.00000e+00 3.06702e+02 352.568 1.37709e+02 352.568 0.9672 
1 1 1 13 12 15 o 18 1.36745e+02 5.08366e+00 8.92791e+01 143.590 -4.68975e+00 3.45884e+00  0.00000e+00 0.00000e+00 2.32371e+02 143.590 1.43092e+02 143.590 0.9096 
1 1 1 13 12 16 o 16 2.12155e+02 3.94685e+00 1.94162e+02 311.008 1.28337e+01  -1.47593e+01 0.00000e+00 0.00000e+00 3.39540e+02 311.008 1.45377e+02 311.008 0.9741 
1 1 1 13 12 17 o 19 3.04864e+02 3.63551e+00 3.14672e+02 253.695 -1.26501e+01 -4.32463e+01 0.00000e+00 0.00000e+00 4.62755e+02 253.695 1.48082e+02 253.695 0.9888 
1 1 1 13 12 18 o 5  3.73567e+02 3.66855e+00 4.50908e+02 114.888 -3.34772e+01 7.21611e+01  0.00000e+00 0.00000e+00 5.04949e+02 114.888 5.40414e+01 114.888 0.9937 
1 1 1 13 12 19 o 8  2.82224e+02 3.65437e+00 3.62234e+02 4.693   5.38235e+01  4.41805e+00  0.00000e+00 0.00000e+00 3.56576e+02 4.693   5.65846e+00 184.693 0.9907 
1 1 1 13 12 20 o 13 9.92940e+01 6.91836e+00 1.68255e+02 89.415  8.69068e-02  8.50950e+00  0.00000e+00 0.00000e+00 7.11090e+01 89.415  9.71459e+01 269.415 0.9393 
1 1 1 13 12 21 o 17 1.20718e+02 5.83952e+00 1.46774e+02 354.414 1.03718e+01  -1.01442e+00 0.00000e+00 0.00000e+00 1.47271e+02 354.414 4.96929e-01 354.414 0.9507 
1 1 1 13 12 22 o 14 7.66266e+01 8.68276e+00 8.04044e+01 339.253 3.24155e+00  -1.22791e+00 0.00000e+00 0.00000e+00 8.40645e+01 339.253 3.66012e+00 339.253 0.8393 
1 1 1 13 12 23 o 6  6.49565e+01 1.03369e+01 6.07433e+01 251.424 -6.41844e-01 -1.90985e+00 0.00000e+00 0.00000e+00 5.53405e+01 251.424 5.40284e+00 71.424  0.7002 
1 1 1 13 12 24 o 8  9.13654e+01 6.90319e+00 9.16183e+01 105.154 -1.54578e+00 5.70745e+00  0.00000e+00 0.00000e+00 1.20386e+02 105.154 2.87675e+01 105.154 0.9110 
1 1 1 13 12 25 o 3  3.75507e+02 4.04946e+00 4.10245e+02 37.931  8.69517e+01  6.77661e+01  0.00000e+00 0.00000e+00 5.39860e+02 37.931  1.29616e+02 37.931  0.9955 
1 1 1 13 12 26 o 6  7.57325e+01 8.93378e+00 8.27535e+01 125.747 -2.56029e+00 3.55687e+00  0.00000e+00 0.00000e+00 8.56483e+01 125.747 2.89473e+00 125.747 0.8768 
1 1 1 13 12 27 o 14 5.59942e+01 1.10693e+01 7.47743e+01 359.910 2.83492e+00  -4.46725e-03 0.00000e+00 0.00000e+00 3.81493e+01 359.910 3.66250e+01 179.910 0.7970 
1 1 1 13 12 28 o 4  8.73061e+01 7.76565e+00 2.06386e+02 99.796  -2.21277e+00 1.28164e+01  0.00000e+00 0.00000e+00 5.35751e+00 99.796  2.01028e+02 279.796 0.9608 
1 1 1 13 12 29 o 17 2.18235e+02 4.11447e+00 2.66199e+02 159.447 -4.44625e+01 1.66705e+01  0.00000e+00 0.00000e+00 2.77537e+02 159.447 1.13374e+01 159.447 0.9894 
1 1 1 13 12 30 o 2  2.13049e+02 4.25880e+00 2.64766e+02 288.750 1.41758e+01  -4.17614e+01 0.00000e+00 0.00000e+00 2.64263e+02 288.750 5.02710e-01 108.750 0.9886 
1 1 1 13 12 31 o 5  1.24863e+02 5.60346e+00 1.53214e+02 230.518 -9.22042e+00 -1.11924e+01 0.00000e+00 0.00000e+00 1.48605e+02 230.518 4.60904e+00 50.518  0.9649 
1 1 1 13 12 32 o 5  2.09642e+02 4.17738e+00 2.16792e+02 238.539 -2.29494e+01 -3.75068e+01 0.00000e+00 0.00000e+00 3.00981e+02 238.539 8.41892e+01 238.539 0.9886 
1 1 1 13 12 33 o 18 5.06761e+01 1.01961e+01 5.41657e+01 288.416 6.78358e-01  -2.03733e+00 0.00000e+00 0.00000e+00 3.68047e+01 288.416 1.73610e+01 108.416 0.7205 
1 1 1 13 12 34 o 19 4.38210e+01 1.11959e+01 3.37491e+01 290.274 4.76391e-01  -1.28967e+00 0.00000e+00 0.00000e+00 2.76081e+01 290.274 6.14102e+00 110.274 0.5636 
1 1 1 13 12 35 o 4  1.56939e+02 4.82838e+00 1.78912e+02 98.773  -4.64645e+00 3.01067e+01  0.00000e+00 0.00000e+00 2.03361e+02 98.773  2.44491e+01 98.773  0.9834 
1 1 1 13 12 36 o 7  1.22064e+02 6.10998e+00 8.64024e+01 39.072  8.25637e+00  6.70311e+00  0.00000e+00 0.00000e+00 2.00462e+02 39.072  1.14059e+02 39.072  0.9518 
1 1 1 13 12 37 o 6  8.14169e+01 8.45522e+00 1.08981e+02 285.386 2.84990e+00  -1.03566e+01 0.00000e+00 0.00000e+00 8.18546e+01 285.386 2.71263e+01 105.386 0.9522 
1 1 1 13 12 39 o 12 6.07319e+01 1.11424e+01 1.08794e+02 292.889 3.18827e+00  -7.55189e+00 0.00000e+00 0.00000e+00 3.03416e+01 292.889 7.84519e+01 112.889 0.9369 
1 1 1 13 12 40 o 17 9.45361e+01 8.09528e+00 1.17695e+02 42.646  1.12860e+01  1.03948e+01  0.00000e+00 0.00000e+00 1.05056e+02 42.646  1.26392e+01 222.646 0.9668 
1 1 1 13 12 41 o 17 5.62208e+01 1.14043e+01 9.03035e+01 190.708 -5.90836e+00 -1.11721e+00 0.00000e+00 0.00000e+00 3.42936e+01 190.708 5.60099e+01 10.708  0.9126 
1 1 1 13 12 42 o 11 9.69058e+01 7.35294e+00 1.09076e+02 273.606 9.28552e-01  -1.47349e+01 0.00000e+00 0.00000e+00 1.17338e+02 273.606 8.26216e+00 273.606 0.9655 
1 1 1 13 12 43 o 8  4.47802e+01 1.12477e+01 1.57916e+01 52.048  6.21321e-01  7.96640e-01  0.00000e+00 0.00000e+00 3.27956e+01 52.048  1.70041e+01 52.048  0.4500 
1 1 1 13 12 44 o 10 4.14443e+01 1.10598e+01 1.31346e+01 98.792  -1.19324e-01 7.71488e-01  0.00000e+00 0.00000e+00 2.30344e+01 98.792  9.89983e+00 98.792  0.3633 
1 1 1 13 12 45 o 19 8.88187e+01 8.57524e+00 9.49637e+01 244.797 -5.44738e+00 -1.15747e+01 0.00000e+00 0.00000e+00 1.09077e+02 244.797 1.41135e+01 244.797 0.9601 
1 1 1 13 12 46 o 9  1.79603e+02 4.93001e+00 1.87343e+02 87.204  3.12191e+00  6.39124e+01  0.00000e+00 0.00000e+00 2.37367e+02 87.204  5.00236e+01 87.204  0.9922 
1 1 1 13 12 47 o 11 6.00823e+01 1.07633e+01 1.28770e+02 130.779 -7.90891e+00 9.16950e+00  0.00000e+00 0.00000e+00 7.83484e+00 130.779 1.20936e+02 310.779 0.9578 
1 1 1 13 12 48 o 11 3.72057e+01 1.04970e+01 3.27663e+01 290.909 7.38586e-01  -1.93329e+00 0.00000e+00 0.00000e+00 2.95867e+01 290.909 3.17967e+00 110.909 0.7089 
1 1 1 13 12 49 o 10 7.75413e+01 9.39435e+00 7.46558e+01 63.011  5.24593e+00  1.03006e+01  0.00000e+00 0.00000e+00 9.98147e+01 63.011  2.51589e+01 63.011  0.9557 
1 1 1 13 12 50 o 1  6.63087e+01 1.01914e+01 4.13412e+01 15.932  5.36850e+00  1.53254e+00  0.00000e+00 0.00000e+00 9.93909e+01 15.932  5.80496e+01 15.932  0.9054 
1 1 1 13 12 51 o 14 8.63828e+01 7.98056e+00 7.18394e+01 193.375 -1.47623e+01 -3.51001e+00 0.00000e+00 0.00000e+00 1.23023e+02 193.375 5.11833e+01 193.375 0.9665 
1 1 1 13 12 52 o 14 3.28959e+01 1.02234e+01 2.58858e+01 2.523   1.91000e+00  8.41714e-02  0.00000e+00 0.00000e+00 2.63045e+01 2.523   4.18651e-01 2.523   0.6828 
1 1 1 13 12 53 o 3  3.01567e+01 9.72787e+00 1.80247e+01 144.941 -1.11321e+00 7.81179e-01  0.00000e+00 0.00000e+00 2.10096e+01 144.941 2.98496e+00 144.941 0.5596 
1 1 1 13 13 0  o 12 4.69737e+01 2.66752e+01 2.39302e+01 180.000 -1.25815e-01 0.00000e+00  0.00000e+00 0.00000e+00 8.52422e+00 0.000   3.24544e+01 0.000   0.1252 
1 1 1 13 13 1  o 19 5.18735e+02 7.77002e+00 6.39092e+02 90.000  4.97345e-15  8.12226e+01  0.00000e+00 0.00000e+00 7.20196e+02 90.000  8.11042e+01 90.000  1.0000 
1 1 1 13 13 2  o 8  2.55710e+01 1.70685e+01 1.86766e+00 180.000 -1.08824e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.13859e+00 0.000   3.00625e+00 0.000   0.0109 
1 1 1 13 13 3  o 3  1.21969e+02 9.98254e+00 2.21186e+02 270.000 0.00000e+00  -6.50900e+00 0.00000e+00 0.00000e+00 9.83086e+01 270.000 1.22877e+02 90.000  1.0000 
1 1 1 13 13 4  o 14 2.15188e+02 6.19086e+00 3.40698e+02 180.000 -1.79932e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.22814e+02 180.000 1.17885e+02 0.000   1.0000 
1 1 1 13 13 5  o 17 3.40435e+02 6.23247e+00 3.92942e+02 270.000 -2.00353e-15 -3.27201e+01 0.00000e+00 0.00000e+00 4.98207e+02 270.000 1.05265e+02 270.000 1.0000 
1 1 1 13 13 6  o 13 1.50808e+02 7.43072e+00 9.54577e+01 0.000   3.48920e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.98388e+02 0.000   2.02930e+02 0.000   0.9981 
1 1 1 13 13 7  o 16 3.48714e+02 5.55942e+00 2.84152e+02 90.000  1.47516e-15  2.40912e+01  0.00000e+00 0.00000e+00 6.27726e+02 90.000  3.43575e+02 90.000  1.0000 
1 1 1 13 13 8  o 5  2.27421e+01 1.55476e+01 6.50053e+01 0.000   3.35893e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.57610e+01 180.000 1.10766e+02 180.000 0.3238 
1 1 1 13 13 9  o 7  9.25647e+01 1.07003e+01 4.90787e+01 270.000 -6.52790e-17 -1.06609e+00 0.00000e+00 0.00000e+00 1.41392e+02 270.000 9.23137e+01 270.000 0.7880 
1 1 1 13 13 10 f 0  1.68973e+01 1.21818e+01 5.62858e+01 0.000   2.19394e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.67653e+01 180.000 1.03051e+02 180.000 0.2159 
1 1 1 13 13 11 o 19 2.81322e+02 5.26529e+00 3.34174e+02 270.000 1.95202e-06  -2.23285e+01 0.00000e+00 0.00000e+00 3.99192e+02 270.000 6.50179e+01 270.000 1.0000 
1 1 1 13 13 12 o 3  1.62958e+02 6.54467e+00 1.89363e+02 0.000   7.36825e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.35025e+02 0.000   4.56619e+01 0.000   1.0000 
1 1 1 13 13 13 o 12 1.75104e+02 6.94693e+00 1.18728e+02 270.000 4.29286e-07  -4.91046e+00 0.00000e+00 0.00000e+00 3.36749e+02 270.000 2.18021e+02 270.000 0.9999 
1 1 1 13 13 14 o 10 2.01995e+01 1.40466e+01 6.77732e+01 180.000 -3.45008e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.03505e+01 0.000   1.18124e+02 0.000   0.3319 
1 1 1 13 13 15 o 8  3.23389e+01 1.86890e+01 2.00015e+01 90.000  9.42353e-18  1.53898e-01  0.00000e+00 0.00000e+00 7.18654e+00 270.000 2.71881e+01 270.000 0.1527 
1 1 1 13 13 16 o 10 8.17977e+01 1.23897e+01 2.90203e+01 0.000   5.94998e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.40761e+01 0.000   5.50558e+01 0.000   0.5335 
1 1 1 13 13 17 o 10 4.07070e+01 1.97947e+01 1.34972e+01 270.000 0.00000e+00  -1.44612e-01 0.00000e+00 0.00000e+00 1.63258e+00 270.000 1.18646e+01 90.000  0.1436 
1 1 1 13 13 18 o 3  2.13597e+02 6.50064e+00 1.52018e+02 0.000   9.58855e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.99946e+02 0.000   2.47927e+02 0.000   1.0000 
1 1 1 13 13 19 o 10 2.39604e+02 5.59472e+00 2.49412e+02 270.000 1.43464e-06  -1.64104e+01 0.00000e+00 0.00000e+00 3.68768e+02 270.000 1.19356e+02 270.000 1.0000 
1 1 1 13 13 20 o 2  1.32310e+02 7.49251e+00 6.71624e+01 0.000   3.23879e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.72578e+02 0.000   2.05415e+02 0.000   0.9969 
1 1 1 13 13 21 o 1  1.67336e+02 6.20943e+00 1.09454e+02 90.000  0.00000e+00  6.64408e+00  0.00000e+00 0.00000e+00 3.20787e+02 90.000  2.11333e+02 90.000  1.0000 
1 1 1 13 13 22 o 2  2.08660e+01 1.40693e+01 1.98983e+01 180.000 -1.45154e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.21795e+01 0.000   3.20779e+01 0.000   0.1441 
1 1 1 13 13 23 o 8  9.87182e+01 8.99037e+00 9.76801e+01 270.000 3.06758e-07  -3.50890e+00 0.00000e+00 0.00000e+00 1.54722e+02 270.000 5.70422e+01 270.000 0.9982 
1 1 1 13 13 24 o 12 9.38530e+01 9.19744e+00 1.15061e+02 0.000   3.95051e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.24668e+02 0.000   9.60696e+00 0.000   0.9993 
1 1 1 13 13 25 f 0  1.65510e+02 6.19954e+00 1.63807e+02 270.000 0.00000e+00  -1.02522e+01 0.00000e+00 0.00000e+00 2.58375e+02 270.000 9.45675e+01 270.000 1.0000 
1 1 1 13 13 26 o 2  4.72143e+01 1.82947e+01 4.62227e+01 0.000   7.78174e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.20867e+01 0.000   1.41360e+01 180.000 0.6517 
1 1 1 13 13 27 o 14 1.65624e+02 6.19274e+00 2.16410e+02 90.000  -1.27040e-06 1.45316e+01  0.00000e+00 0.00000e+00 2.04173e+02 90.000  1.22362e+01 270.000 1.0000 
1 1 1 13 13 28 o 3  2.49066e+02 5.46637e+00 3.06099e+02 180.000 -2.97676e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.24876e+02 180.000 1.87768e+01 180.000 1.0000 
1 1 1 13 13 29 o 2  2.51787e+02 5.32590e+00 1.87256e+02 90.000  -2.03294e-06 2.32541e+01  0.00000e+00 0.00000e+00 4.49046e+02 90.000  2.61790e+02 90.000  1.0000 
1 1 1 13 13 30 o 10 1.93877e+02 6.89918e+00 2.54989e+02 180.000 -2.13357e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.33721e+02 180.000 2.12680e+01 0.000   1.0000 
1 1 1 13 13 31 o 8  5.05141e+01 1.95019e+01 7.74344e+01 90.000  -1.49774e-07 1.71321e+00  0.00000e+00 0.00000e+00 4.15671e+01 90.000  3.58673e+01 270.000 0.9370 
1 1 1 13 13 32 o 2  1.25195e+02 8.32725e+00 1.70965e+02 180.000 -1.16610e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.42933e+02 180.000 2.80320e+01 0.000   1.0000 
1 1 1 13 13 33 o 12 9.96875e+01 1.12194e+01 3.50134e+01 90.000  1.06530e-16  1.73976e+00  0.00000e+00 0.00000e+00 1.99325e+02 90.000  1.64312e+02 90.000  0.9402 
1 1 1 13 13 34 o 9  2.11412e+01 1.43380e+01 5.73326e+01 0.000   6.66123e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.66355e+01 180.000 8.39681e+01 180.000 0.5824 
1 1 1 13 13 35 o 1  1.36471e+02 7.64533e+00 1.15910e+02 270.000 -6.28430e-16 -1.02630e+01 0.00000e+00 0.00000e+00 2.23305e+02 270.000 1.07395e+02 270.000 1.0000 
1 1 1 13 13 37 o 6  5.75861e+01 1.81303e+01 1.15098e+02 270.000 -2.38042e-16 -3.88752e+00 0.00000e+00 0.00000e+00 2.70339e+01 270.000 8.80636e+01 90.000  0.9992 
1 1 1 13 13 38 o 9  9.31966e+01 1.01424e+01 4.58543e+01 0.000   3.03846e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.82568e+02 0.000   1.36714e+02 0.000   0.9954 
1 1 1 13 13 39 o 10 3.19605e+01 1.79138e+01 4.09822e+01 270.000 6.52960e-08  -7.46899e-01 0.00000e+00 0.00000e+00 8.68953e+00 270.000 3.22927e+01 90.000  0.6333 
1 1 1 13 13 40 o 14 2.98153e+01 1.73851e+01 3.55156e+01 180.000 -6.39016e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.62818e+00 180.000 2.98874e+01 0.000   0.5642 
1 1 1 13 13 41 o 11 3.28620e+01 1.80181e+01 3.01619e+00 270.000 5.86266e-09  -6.70610e-02 0.00000e+00 0.00000e+00 2.34679e+00 270.000 6.69395e-01 90.000  0.0670 
1 1 1 13 13 42 o 13 3.09593e+01 1.75757e+01 2.77444e+01 180.000 -5.87419e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.19557e+01 180.000 1.57887e+01 0.000   0.5280 
1 1 1 13 13 43 f 0  6.51428e+01 1.58689e+01 7.56904e+01 90.000  -3.00989e-07 3.44291e+00  0.00000e+00 0.00000e+00 8.16079e+01 90.000  5.91756e+00 90.000  0.9980 
1 1 1 13 13 44 o 13 2.61294e+01 1.70568e+01 2.85255e+01 180.000 -5.61726e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.55064e+00 180.000 2.49749e+01 0.000   0.5093 
1 1 1 13 13 45 o 14 1.63998e+02 7.84272e+00 1.39540e+02 90.000  0.00000e+00  2.15586e+01  0.00000e+00 0.00000e+00 2.54271e+02 90.000  1.14731e+02 90.000  1.0000 
1 1 1 13 13 46 o 13 8.72651e+01 1.49132e+01 9.36123e+01 180.000 -6.98810e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.15117e+02 180.000 2.15044e+01 180.000 1.0000 
1 1 1 13 13 47 o 19 3.08175e+01 1.85405e+01 9.22731e+01 270.000 0.00000e+00  -2.28765e+00 0.00000e+00 0.00000e+00 2.03533e+01 90.000  1.12626e+02 90.000  0.9796 
1 1 1 13 13 48 o 7  9.89370e+01 1.00807e+01 1.01946e+02 0.000   1.19205e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.32790e+02 0.000   3.08447e+01 0.000   1.0000 
1 1 1 13 13 49 o 17 1.23940e+02 8.46899e+00 1.08997e+02 270.000 0.00000e+00  -1.64163e+01 0.00000e+00 0.00000e+00 1.83833e+02 270.000 7.48357e+01 270.000 1.0000 
1 1 1 13 13 50 o 17 3.63649e+01 1.92312e+01 3.45703e+00 180.000 -1.17417e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.54238e+00 180.000 3.08535e+00 180.000 0.1169 
1 1 1 13 13 51 o 12 3.31523e+01 1.92518e+01 3.75093e+01 90.000  0.00000e+00  1.13591e+00  0.00000e+00 0.00000e+00 2.56270e+01 90.000  1.18823e+01 270.000 0.8130 
1 1 1 14 0  0  o 8  2.16703e+02 8.90873e+00 1.67396e+02 180.000 -1.51186e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.37519e+02 180.000 1.70123e+02 180.000 0.9073 
1 1 1 14 0  1  o 11 1.77489e+02 6.95927e+00 2.64627e+02 45.000  2.76407e+00  2.76407e+00  0.00000e+00 0.00000e+00 1.90803e+02 45.000  7.38241e+01 225.000 0.9992 
1 1 1 14 0  2  o 5  3.90950e+01 1.94544e+01 1.07193e+02 270.000 2.94003e-08  -3.36300e-01 0.00000e+00 0.00000e+00 7.46518e+01 90.000  1.81845e+02 90.000  0.3242 
1 1 1 14 0  3  o 11 4.90830e+02 5.54171e+00 6.26563e+02 135.000 -1.80443e+01 1.80443e+01  0.00000e+00 0.00000e+00 6.33464e+02 135.000 6.90108e+00 135.000 1.0000 
1 1 1 14 0  4  o 12 3.82072e+02 5.07756e+00 6.63119e+02 0.000   2.09449e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.17417e+02 0.000   3.45702e+02 180.000 1.0000 
1 1 1 14 0  5  o 2  1.03338e+02 8.77964e+00 3.89274e+00 225.000 -2.32613e-02 -2.32613e-02 0.00000e+00 0.00000e+00 4.82493e+00 225.000 9.32194e-01 225.000 0.0329 
1 1 1 14 0  6  o 11 5.11622e+02 5.67180e+00 4.36919e+02 270.000 -1.11725e-15 -1.82460e+01 0.00000e+00 0.00000e+00 8.74956e+02 270.000 4.38038e+02 270.000 1.0000 
1 1 1 14 0  7  o 17 6.21218e+02 6.82007e+00 6.65170e+02 135.000 -2.36303e+01 2.36303e+01  0.00000e+00 0.00000e+00 9.26830e+02 135.000 2.61660e+02 135.000 1.0000 
1 1 1 14 0  8  o 14 1.96615e+02 5.74018e+00 3.30863e+02 180.000 -6.48459e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.72677e+02 180.000 1.58186e+02 0.000   1.0000 
1 1 1 14 0  9  o 12 1.64882e+02 6.18506e+00 1.64150e+02 225.000 -1.88746e+00 -1.88746e+00 0.00000e+00 0.00000e+00 2.53777e+02 225.000 8.96267e+01 225.000 0.9904 
1 1 1 14 0  10 o 7  9.65494e+01 1.06236e+01 3.11026e+02 90.000  1.77698e-16  2.90203e+00  0.00000e+00 0.00000e+00 6.56258e+01 270.000 3.76652e+02 270.000 0.9940 
1 1 1 14 0  11 o 1  7.10219e+02 7.48012e+00 1.04671e+03 315.000 5.74782e+01  -5.74782e+01 0.00000e+00 0.00000e+00 7.67735e+02 315.000 2.78972e+02 135.000 1.0000 
1 1 1 14 0  12 o 7  2.39510e+02 5.92752e+00 1.98577e+02 0.000   5.15455e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.12667e+02 0.000   2.14090e+02 0.000   0.9999 
1 1 1 14 0  13 o 17 4.70272e+02 5.97404e+00 5.54048e+02 225.000 -1.97144e+01 -1.97144e+01 0.00000e+00 0.00000e+00 6.44900e+02 225.000 9.08517e+01 225.000 1.0000 
1 1 1 14 0  14 f 0  2.38655e+01 1.58449e+01 1.11959e+02 90.000  1.69113e-17  2.76182e-01  0.00000e+00 0.00000e+00 9.55881e+01 270.000 2.07547e+02 270.000 0.2694 
1 1 1 14 0  15 o 7  3.48793e+02 5.95684e+00 3.80101e+02 315.000 9.81715e+00  -9.81715e+00 0.00000e+00 0.00000e+00 5.06994e+02 315.000 1.26893e+02 315.000 1.0000 
1 1 1 14 0  16 o 10 4.04144e+02 5.29437e+00 4.67795e+02 0.000   2.08555e+01  0.00000e+00  0.00000e+00 0.00000e+00 5.58703e+02 0.000   9.09079e+01 0.000   1.0000 
1 1 1 14 0  17 o 13 3.26226e+01 1.82298e+01 3.87461e+01 45.000  9.30680e-02  9.30680e-02  0.00000e+00 0.00000e+00 2.79183e+01 225.000 6.66644e+01 225.000 0.1309 
1 1 1 14 0  18 o 19 6.37851e+01 1.70427e+01 9.04639e+01 90.000  -5.75465e-08 6.58255e-01  0.00000e+00 0.00000e+00 2.77431e+00 90.000  8.76896e+01 270.000 0.5772 
1 1 1 14 0  20 o 8  7.78952e+02 7.50026e+00 9.71876e+02 180.000 -9.23272e+01 0.00000e+00  0.00000e+00 0.00000e+00 9.94355e+02 180.000 2.24795e+01 180.000 1.0000 
1 1 1 14 0  21 o 13 2.44007e+02 5.62387e+00 3.51658e+02 45.000  7.27877e+00  7.27877e+00  0.00000e+00 0.00000e+00 2.63176e+02 45.000  8.84814e+01 225.000 1.0000 
1 1 1 14 0  22 o 11 6.09988e+01 1.73087e+01 2.03397e+02 270.000 -9.78086e-17 -1.59734e+00 0.00000e+00 0.00000e+00 6.20596e+01 90.000  2.65456e+02 90.000  0.9213 
1 1 1 14 0  23 o 15 1.24554e+02 7.94667e+00 1.10114e+01 135.000 -1.35204e-01 1.35204e-01  0.00000e+00 0.00000e+00 4.80525e+01 135.000 3.70411e+01 135.000 0.1889 
1 1 1 14 0  25 o 14 7.10739e+01 1.46501e+01 1.11405e+02 225.000 -8.53519e-01 -8.53519e-01 0.00000e+00 0.00000e+00 3.70926e+01 225.000 7.43120e+01 45.000  0.8358 
1 1 1 14 0  26 o 2  4.11980e+01 1.94837e+01 3.45119e+00 90.000  1.47135e-18  2.40289e-02  0.00000e+00 0.00000e+00 9.82422e-01 270.000 4.43361e+00 270.000 0.0240 
1 1 1 14 0  27 o 1  1.00772e+02 9.98774e+00 7.70884e+01 135.000 -9.26471e-01 9.26471e-01  0.00000e+00 0.00000e+00 1.39672e+02 135.000 6.25835e+01 135.000 0.8643 
1 1 1 14 0  28 o 11 1.26745e+02 8.17391e+00 1.86218e+02 0.000   3.91750e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.28208e+02 0.000   5.80102e+01 180.000 0.9992 
1 1 1 14 0  30 o 5  3.01986e+02 5.14991e+00 3.22149e+02 90.000  1.21576e-15  1.98548e+01  0.00000e+00 0.00000e+00 4.23859e+02 90.000  1.01710e+02 90.000  1.0000 
1 1 1 14 0  31 o 1  1.54709e+02 6.53161e+00 4.75568e+01 315.000 1.19813e+00  -1.19813e+00 0.00000e+00 0.00000e+00 3.08734e+02 315.000 2.61178e+02 315.000 0.9347 
1 1 1 14 0  32 o 9  2.38833e+02 5.91387e+00 3.15782e+02 180.000 -1.70510e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.71068e+02 180.000 4.47147e+01 0.000   1.0000 
1 1 1 14 0  33 o 12 1.53371e+02 6.54857e+00 9.40946e+01 225.000 -2.28923e+00 -2.28923e+00 0.00000e+00 0.00000e+00 2.80550e+02 225.000 1.86456e+02 225.000 0.9969 
1 1 1 14 0  34 o 9  2.18906e+02 5.45024e+00 2.83755e+02 270.000 1.35312e-06  -1.54779e+01 0.00000e+00 0.00000e+00 2.51079e+02 270.000 3.26766e+01 90.000  1.0000 
1 1 1 14 0  35 o 9  2.59684e+02 5.17418e+00 1.86388e+02 135.000 -9.69427e+00 9.69427e+00  0.00000e+00 0.00000e+00 4.46189e+02 135.000 2.59801e+02 135.000 1.0000 
1 1 1 14 0  36 o 3  2.38681e+02 5.32120e+00 3.14420e+02 0.000   1.94463e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.65218e+02 0.000   4.92016e+01 180.000 1.0000 
1 1 1 14 0  37 o 10 2.23598e+02 5.75640e+00 2.31738e+02 225.000 -1.25959e+01 -1.25959e+01 0.00000e+00 0.00000e+00 3.09563e+02 225.000 7.78248e+01 225.000 1.0000 
1 1 1 14 0  38 o 1  9.79758e+01 9.23901e+00 7.57316e+01 90.000  -2.24162e-07 2.56411e+00  0.00000e+00 0.00000e+00 1.57902e+02 90.000  8.21707e+01 90.000  0.9882 
1 1 1 14 0  39 o 8  2.91495e+01 1.71503e+01 1.14959e+02 135.000 -7.52012e-01 7.52012e-01  0.00000e+00 0.00000e+00 5.97862e+01 315.000 1.74746e+02 315.000 0.7870 
1 1 1 14 0  40 o 8  7.72930e+01 1.18036e+01 1.35910e+02 180.000 -3.55165e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.90464e+01 180.000 8.68633e+01 0.000   0.9984 
1 1 1 14 0  41 o 13 7.04311e+01 1.21811e+01 9.66847e+01 225.000 -1.70371e+00 -1.70371e+00 0.00000e+00 0.00000e+00 6.88445e+01 225.000 2.78402e+01 45.000  0.9840 
1 1 1 14 0  42 o 5  2.27530e+01 1.47082e+01 5.89695e-01 90.000  -4.95852e-10 5.67188e-03  0.00000e+00 0.00000e+00 2.82559e-01 270.000 8.72254e-01 270.000 0.0057 
1 1 1 14 0  43 o 10 6.69967e+01 1.28431e+01 1.93579e+02 315.000 3.52335e+00  -3.52335e+00 0.00000e+00 0.00000e+00 3.47275e+01 135.000 2.28306e+02 135.000 0.9999 
1 1 1 14 0  44 o 12 2.89893e+02 6.02562e+00 4.33900e+02 0.000   6.34686e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.50935e+02 0.000   1.82965e+02 180.000 1.0000 
1 1 1 14 0  45 f 0  1.25241e+02 6.87492e+00 1.41059e+02 45.000  6.18431e+00  6.18432e+00  0.00000e+00 0.00000e+00 1.53674e+02 45.000  1.26145e+01 45.000  1.0000 
1 1 1 14 0  46 o 4  6.24619e+01 1.37156e+01 6.90233e+01 90.000  0.00000e+00  2.27838e+00  0.00000e+00 0.00000e+00 7.43520e+01 90.000  5.32866e+00 90.000  0.9792 
1 1 1 14 0  48 o 11 4.22687e+01 1.80788e+01 4.17061e+01 180.000 -1.00181e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.32192e+01 180.000 8.48691e+00 0.000   0.7624 
1 1 1 14 0  49 o 3  6.56160e+01 1.36292e+01 1.12624e+02 45.000  3.30269e+00  3.30269e+00  0.00000e+00 0.00000e+00 3.92803e+01 45.000  7.33437e+01 225.000 0.9998 
1 1 1 14 0  50 f 0  2.37892e+01 1.48944e+01 1.17271e+02 270.000 1.51380e-07  -1.73158e+00 0.00000e+00 0.00000e+00 6.57551e+01 90.000  1.83026e+02 90.000  0.9392 
1 1 1 14 0  51 o 4  6.75739e+01 1.20030e+01 5.82720e+01 315.000 1.87318e+00  -1.87318e+00 0.00000e+00 0.00000e+00 9.53045e+01 315.000 3.70325e+01 315.000 0.9900 
1 1 1 14 0  52 o 6  2.52233e+01 1.51510e+01 7.58747e+01 180.000 -1.34918e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.55011e+01 0.000   1.01376e+02 0.000   0.8739 
1 1 1 14 0  53 o 9  2.11073e+02 5.26078e+00 1.80960e+02 225.000 -2.18429e+01 -2.18429e+01 0.00000e+00 0.00000e+00 2.99244e+02 225.000 1.18284e+02 225.000 1.0000 
1 1 1 14 0  54 f 0  2.61931e+01 1.68615e+01 5.76927e+01 270.000 -6.73556e-17 -1.10000e+00 0.00000e+00 0.00000e+00 1.02098e+01 90.000  6.79025e+01 90.000  0.8005 
1 1 1 14 0  55 o 4  2.12316e+01 1.44301e+01 1.63467e+01 315.000 2.06565e-01  -2.06565e-01 0.00000e+00 0.00000e+00 2.75147e+00 135.000 1.90982e+01 135.000 0.2841 
1 1 1 14 0  56 o 18 1.01053e+02 7.51602e+00 1.37874e+02 180.000 -1.47103e+01 0.00000e+00  0.00000e+00 0.00000e+00 8.88078e+01 180.000 4.90665e+01 0.000   1.0000 
1 1 1 14 0  57 o 2  9.67047e+01 7.83330e+00 1.28370e+02 225.000 -1.04384e+01 -1.04384e+01 0.00000e+00 0.00000e+00 8.75025e+01 225.000 4.08676e+01 45.000  1.0000 
1 1 1 14 0  58 o 9  3.00026e+01 1.60582e+01 2.39100e+01 90.000  -6.34334e-08 7.25593e-01  0.00000e+00 0.00000e+00 1.74327e+01 90.000  6.47733e+00 270.000 0.6204 
1 1 1 14 0  59 o 3  7.14899e+01 9.46201e+00 6.65917e+01 315.000 4.31092e+00  -4.31092e+00 0.00000e+00 0.00000e+00 9.14034e+01 315.000 2.48116e+01 315.000 1.0000 
1 1 1 14 0  60 o 17 3.95842e+01 2.00086e+01 5.57181e+01 180.000 -2.09471e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.87186e+01 180.000 2.69994e+01 0.000   0.9701 
1 1 1 14 1  0  o 8  4.30401e+02 6.13323e+00 4.55054e+02 180.000 -1.62704e+01 0.00000e+00  0.00000e+00 0.00000e+00 6.50432e+02 180.000 1.95378e+02 180.000 1.0000 
1 1 1 14 1  1  o 10 3.21273e+02 4.11290e+00 3.83165e+02 9.132   2.01894e+01  3.24524e+00  0.00000e+00 0.00000e+00 4.21553e+02 9.132   3.83883e+01 9.132   0.9752 
1 1 1 14 1  2  o 11 2.16960e+02 4.09459e+00 3.16052e+02 15.732  1.09441e+01  3.08288e+00  0.00000e+00 0.00000e+00 2.16017e+02 15.732  1.00035e+02 195.732 0.9550 
1 1 1 14 1  3  o 15 4.73415e+02 3.98098e+00 7.12189e+02 38.053  4.38980e+01  3.43624e+01  0.00000e+00 0.00000e+00 4.92353e+02 38.053  2.19836e+02 218.053 0.9910 
1 1 1 14 1  4  o 6  2.74617e+02 3.55500e+00 3.95818e+02 197.013 -1.71252e+01 -5.24005e+00 0.00000e+00 0.00000e+00 2.89077e+02 197.013 1.06742e+02 17.013  0.9717 
1 1 1 14 1  5  o 7  4.93570e+02 3.93359e+00 5.59865e+02 114.014 -1.84172e+01 4.13379e+01  0.00000e+00 0.00000e+00 6.92430e+02 114.014 1.32565e+02 114.014 0.9889 
1 1 1 14 1  6  o 18 4.32680e+02 3.74261e+00 6.92408e+02 252.841 -1.43844e+01 -4.65872e+01 0.00000e+00 0.00000e+00 4.05768e+02 252.841 2.86640e+02 72.841  0.9897 
1 1 1 14 1  7  o 18 2.73245e+02 3.95735e+00 3.46143e+02 259.292 -3.52320e+00 -1.86323e+01 0.00000e+00 0.00000e+00 3.35480e+02 259.292 1.06627e+01 79.292  0.9733 
1 1 1 14 1  8  o 3  3.26720e+02 3.56544e+00 4.25907e+02 84.525  2.64047e+00  2.75461e+01  0.00000e+00 0.00000e+00 3.95698e+02 84.525  3.02091e+01 264.525 0.9818 
1 1 1 14 1  9  o 14 2.03254e+02 3.94115e+00 2.93053e+02 298.305 5.55691e+00  -1.03180e+01 0.00000e+00 0.00000e+00 2.04466e+02 298.305 8.85872e+01 118.305 0.9563 
1 1 1 14 1  10 o 16 3.53694e+02 3.86053e+00 4.85374e+02 33.256  2.79399e+01  1.83221e+01  0.00000e+00 0.00000e+00 4.05537e+02 33.256  7.98364e+01 213.256 0.9849 
1 1 1 14 1  11 o 15 3.57198e+02 3.77275e+00 3.01628e+02 231.391 -1.47154e+01 -1.84279e+01 0.00000e+00 0.00000e+00 5.91492e+02 231.391 2.89863e+02 231.391 0.9786 
1 1 1 14 1  12 o 19 2.79793e+02 4.00126e+00 3.59152e+02 261.295 -3.28809e+00 -2.14765e+01 0.00000e+00 0.00000e+00 3.38411e+02 261.295 2.07414e+01 81.296  0.9767 
1 1 1 14 1  13 o 15 3.52119e+02 4.08168e+00 4.73386e+02 96.587  -4.08160e+00 3.53463e+01  0.00000e+00 0.00000e+00 4.11753e+02 96.587  6.16334e+01 276.587 0.9858 
1 1 1 14 1  14 o 9  2.03229e+02 4.56464e+00 1.72921e+02 147.229 -6.26184e+00 4.03099e+00  0.00000e+00 0.00000e+00 3.08554e+02 147.229 1.35634e+02 147.229 0.9302 
1 1 1 14 1  15 o 3  3.96290e+02 4.19423e+00 4.39618e+02 11.844  3.56014e+01  7.46594e+00  0.00000e+00 0.00000e+00 5.54466e+02 11.844  1.14848e+02 11.844  0.9862 
1 1 1 14 1  16 o 11 1.81066e+02 4.73075e+00 1.41306e+02 27.994  4.95827e+00  2.63566e+00  0.00000e+00 0.00000e+00 2.75387e+02 27.994  1.34080e+02 27.994  0.9059 
1 1 1 14 1  17 o 12 3.79150e+02 3.82189e+00 3.90590e+02 339.762 3.00571e+01  -1.10812e+01 0.00000e+00 0.00000e+00 5.56059e+02 339.762 1.65469e+02 339.762 0.9843 
1 1 1 14 1  18 o 13 3.08228e+02 3.74575e+00 3.78878e+02 172.800 -2.73992e+01 3.46114e+00  0.00000e+00 0.00000e+00 3.87550e+02 172.800 8.67199e+00 172.800 0.9817 
1 1 1 14 1  19 o 11 1.29094e+02 7.42235e+00 1.85240e+02 201.259 -5.11571e+00 -1.99036e+00 0.00000e+00 0.00000e+00 1.09749e+02 201.259 7.54905e+01 21.259  0.9036 
1 1 1 14 1  20 o 16 1.36624e+02 5.44938e+00 7.60424e+01 138.862 -1.90214e+00 1.66158e+00  0.00000e+00 0.00000e+00 1.88771e+02 138.862 1.12728e+02 138.862 0.7678 
1 1 1 14 1  21 o 14 4.00026e+02 4.00570e+00 5.59317e+02 320.113 4.10724e+01  -3.43261e+01 0.00000e+00 0.00000e+00 4.39326e+02 320.113 1.19991e+02 140.113 0.9906 
1 1 1 14 1  22 o 15 1.81247e+02 4.58501e+00 2.47588e+02 121.585 -6.29842e+00 1.02438e+01  0.00000e+00 0.00000e+00 1.88936e+02 121.585 5.86517e+01 301.585 0.9575 
1 1 1 14 1  23 o 3  2.86993e+02 4.01661e+00 3.21820e+02 29.478  2.24800e+01  1.27072e+01  0.00000e+00 0.00000e+00 3.84598e+02 29.478  6.27775e+01 29.478  0.9804 
1 1 1 14 1  25 o 4  1.22584e+02 5.71297e+00 1.57013e+02 72.236  1.83837e+00  5.73816e+00  0.00000e+00 0.00000e+00 1.22729e+02 72.236  3.42831e+01 252.236 0.9128 
1 1 1 14 1  26 o 14 8.96198e+01 7.37308e+00 8.72143e+01 322.297 2.21166e+00  -1.70955e+00 0.00000e+00 0.00000e+00 9.02218e+01 322.297 3.00747e+00 322.297 0.7936 
1 1 1 14 1  27 o 3  3.69636e+02 4.08352e+00 4.22794e+02 314.498 3.73823e+01  -3.80425e+01 0.00000e+00 0.00000e+00 4.88559e+02 314.498 6.57649e+01 314.498 0.9906 
1 1 1 14 1  28 o 2  1.58243e+02 5.25063e+00 1.95153e+02 36.915  8.19708e+00  6.15799e+00  0.00000e+00 0.00000e+00 1.78094e+02 36.915  1.70597e+01 216.915 0.9499 
1 1 1 14 1  30 o 9  1.15356e+02 6.03927e+00 1.17462e+02 332.950 4.85851e+00  -2.48092e+00 0.00000e+00 0.00000e+00 1.39892e+02 332.950 2.24304e+01 332.950 0.9030 
1 1 1 14 1  31 o 5  2.88603e+02 3.80174e+00 2.55359e+02 182.834 -3.39701e+01 -1.68190e+00 0.00000e+00 0.00000e+00 4.45281e+02 182.834 1.89922e+02 182.834 0.9852 
1 1 1 14 1  32 o 2  7.49122e+01 9.33180e+00 8.55895e+01 255.159 -7.13515e-01 -2.69282e+00 0.00000e+00 0.00000e+00 6.03644e+01 255.159 2.52251e+01 75.159  0.7928 
1 1 1 14 1  33 o 3  1.73954e+02 4.54899e+00 1.86234e+02 126.303 -8.59190e+00 1.16951e+01  0.00000e+00 0.00000e+00 2.25101e+02 126.303 3.88671e+01 126.303 0.9649 
1 1 1 14 1  34 o 12 2.17829e+02 4.11993e+00 1.95953e+02 299.048 1.02960e+01  -1.85374e+01 0.00000e+00 0.00000e+00 3.23619e+02 299.048 1.27666e+02 299.048 0.9761 
1 1 1 14 1  35 o 14 2.16007e+02 3.91083e+00 2.96882e+02 116.801 -1.63291e+01 3.23249e+01  0.00000e+00 0.00000e+00 2.22058e+02 116.801 7.48239e+01 296.801 0.9861 
1 1 1 14 1  36 o 8  6.31750e+01 9.59976e+00 1.68022e+02 211.736 -4.45178e+00 -2.75330e+00 0.00000e+00 0.00000e+00 3.01468e+01 31.736  1.98169e+02 31.736  0.8985 
1 1 1 14 1  37 o 4  6.63917e+01 9.79173e+00 1.19956e+02 193.122 -4.99467e+00 -1.16432e+00 0.00000e+00 0.00000e+00 2.41196e+01 193.122 9.58363e+01 13.122  0.8963 
1 1 1 14 1  38 o 12 2.84917e+02 3.91064e+00 2.65367e+02 109.789 -1.80743e+01 5.02348e+01  0.00000e+00 0.00000e+00 4.15777e+02 109.789 1.50409e+02 109.789 0.9906 
1 1 1 14 1  39 o 1  4.39313e+01 1.09293e+01 8.38038e+01 318.302 1.77975e+00  -1.58559e+00 0.00000e+00 0.00000e+00 4.36826e+00 138.302 8.81721e+01 138.302 0.7517 
1 1 1 14 1  40 o 19 5.02813e+01 1.03730e+01 1.00243e+02 287.271 1.07671e+00  -3.46302e+00 0.00000e+00 0.00000e+00 1.90377e+00 287.271 9.83393e+01 107.271 0.8475 
1 1 1 14 1  41 o 2  1.28688e+02 4.93345e+00 1.93198e+02 348.584 1.79761e+01  -3.62983e+00 0.00000e+00 0.00000e+00 1.05715e+02 348.584 8.74832e+01 168.584 0.9723 
1 1 1 14 1  42 o 6  2.43549e+02 3.68386e+00 2.73530e+02 320.201 4.77542e+01  -3.97860e+01 0.00000e+00 0.00000e+00 3.01508e+02 320.201 2.79778e+01 320.201 0.9919 
1 1 1 14 1  43 o 12 8.37763e+01 6.84002e+00 1.39715e+02 12.916  9.04788e+00  2.07493e+00  0.00000e+00 0.00000e+00 4.79402e+01 12.916  9.17746e+01 192.916 0.9445 
1 1 1 14 1  44 o 13 6.16971e+01 1.02146e+01 9.06685e+01 327.412 4.50113e+00  -2.87729e+00 0.00000e+00 0.00000e+00 4.06367e+01 327.412 5.00318e+01 147.412 0.9008 
1 1 1 14 1  45 f 0  1.32431e+02 4.66258e+00 1.90075e+02 175.310 -2.48594e+01 2.03930e+00  0.00000e+00 0.00000e+00 1.15309e+02 175.310 7.47655e+01 355.310 0.9797 
1 1 1 14 1  46 o 10 7.06208e+01 8.08249e+00 1.15213e+02 198.065 -8.46680e+00 -2.76159e+00 0.00000e+00 0.00000e+00 4.07603e+01 198.065 7.44524e+01 18.065  0.9421 
1 1 1 14 1  48 o 7  1.10635e+02 5.74448e+00 1.46880e+02 73.835  6.20493e+00  2.14058e+01  0.00000e+00 0.00000e+00 1.04561e+02 73.835  4.23191e+01 253.835 0.9773 
1 1 1 14 1  49 o 3  1.06994e+02 5.46874e+00 1.78849e+02 181.999 -2.65955e+01 -9.28375e-01 0.00000e+00 0.00000e+00 6.42248e+01 181.999 1.14624e+02 1.999   0.9810 
1 1 1 14 1  50 o 18 6.49527e+01 8.51603e+00 6.32262e+01 319.042 4.06921e+00  -3.53202e+00 0.00000e+00 0.00000e+00 7.18220e+01 319.042 8.59583e+00 319.042 0.9017 
1 1 1 14 1  51 o 16 3.28569e+01 9.29821e+00 5.18350e+01 191.345 -2.19542e+00 -4.40470e-01 0.00000e+00 0.00000e+00 3.48885e+00 191.345 4.83461e+01 11.345  0.7334 
1 1 1 14 1  52 o 2  6.68349e+01 7.99990e+00 6.06452e+01 354.462 6.18812e+00  -6.00004e-01 0.00000e+00 0.00000e+00 7.92277e+01 354.462 1.85825e+01 354.462 0.9156 
1 1 1 14 1  53 o 19 3.34907e+01 1.02487e+01 3.66704e+01 344.014 1.87143e+00  -5.36111e-01 0.00000e+00 0.00000e+00 1.58209e+01 344.014 2.08495e+01 164.014 0.6888 
1 1 1 14 1  54 o 14 3.34090e+01 9.89606e+00 3.69247e+01 128.966 -1.21702e+00 1.50470e+00  0.00000e+00 0.00000e+00 1.50483e+01 128.966 2.18764e+01 308.966 0.6869 
1 1 1 14 1  55 o 12 3.43133e+01 9.60268e+00 4.86558e+00 262.090 -3.95322e-02 -2.84542e-01 0.00000e+00 0.00000e+00 6.13201e+00 262.090 1.26643e+00 262.090 0.1422 
1 1 1 14 1  56 o 18 1.02026e+02 7.23904e+00 6.00992e+01 195.909 -1.17664e+01 -3.35379e+00 0.00000e+00 0.00000e+00 1.59234e+02 195.909 9.91347e+01 195.909 0.9582 
1 1 1 14 1  57 o 4  4.69291e+01 1.06941e+01 7.07057e+01 63.845  2.84395e+00  5.79120e+00  0.00000e+00 0.00000e+00 2.55662e+01 63.845  4.51395e+01 243.845 0.9189 
1 1 1 14 1  58 o 5  6.59538e+01 7.58422e+00 4.57043e+01 193.726 -7.04954e+00 -1.72189e+00 0.00000e+00 0.00000e+00 9.03094e+01 193.726 4.46051e+01 193.726 0.9283 
1 1 1 14 1  59 o 12 7.40307e+01 9.06460e+00 8.50659e+01 121.000 -7.40720e+00 1.23277e+01  0.00000e+00 0.00000e+00 7.27738e+01 121.000 1.22921e+01 301.000 0.9646 
1 1 1 14 1  60 o 7  3.25659e+01 1.05233e+01 4.04799e+01 32.404  2.59767e+00  1.64881e+00  0.00000e+00 0.00000e+00 1.79217e+01 32.404  2.25582e+01 212.404 0.8155 
1 1 1 14 2  0  o 3  1.70371e+02 7.10836e+00 1.96294e+02 180.000 -2.74490e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.37891e+02 180.000 4.15971e+01 180.000 0.9918 
1 1 1 14 2  1  o 2  1.28090e+02 5.65652e+00 1.95401e+02 286.893 1.19147e+00  -3.92341e+00 0.00000e+00 0.00000e+00 9.00410e+01 286.893 1.05360e+02 106.893 0.8673 
1 1 1 14 2  2  o 12 4.06807e+02 3.94331e+00 5.04421e+02 172.087 -3.33523e+01 4.63592e+00  0.00000e+00 0.00000e+00 5.25089e+02 172.087 2.06682e+01 172.087 0.9850 
1 1 1 14 2  3  o 10 1.69231e+02 4.66784e+00 2.04500e+02 12.173  5.52746e+00  1.19233e+00  0.00000e+00 0.00000e+00 1.89600e+02 12.173  1.49004e+01 192.173 0.9066 
1 1 1 14 2  4  o 19 2.17519e+02 3.96224e+00 3.43124e+02 268.707 -2.74339e-01 -1.21564e+01 0.00000e+00 0.00000e+00 1.91940e+02 268.707 1.51184e+02 88.707  0.9580 
1 1 1 14 2  5  o 11 2.71486e+02 3.60322e+00 3.43324e+02 18.398  1.43402e+01  4.76994e+00  0.00000e+00 0.00000e+00 3.30069e+02 18.398  1.32547e+01 198.398 0.9663 
1 1 1 14 2  6  o 6  3.86348e+02 3.62919e+00 4.05460e+02 215.650 -2.54665e+01 -1.82659e+01 0.00000e+00 0.00000e+00 5.69813e+02 215.650 1.64353e+02 215.650 0.9839 
1 1 1 14 2  7  o 1  4.17072e+02 3.71305e+00 3.76393e+02 88.936  5.78635e-01  3.11563e+01  0.00000e+00 0.00000e+00 6.75748e+02 88.936  2.99355e+02 88.936  0.9838 
1 1 1 14 2  8  o 19 5.45460e+02 4.15141e+00 6.48667e+02 88.406  1.93536e+00  6.95333e+01  0.00000e+00 0.00000e+00 7.38995e+02 88.406  9.03287e+01 88.406  0.9928 
1 1 1 14 2  9  o 13 6.74600e+02 4.73587e+00 9.49525e+02 340.863 1.17652e+02  -4.08262e+01 0.00000e+00 0.00000e+00 7.70927e+02 340.863 1.78598e+02 160.863 0.9960 
1 1 1 14 2  10 o 16 1.88142e+02 4.14783e+00 2.16868e+02 31.344  7.63559e+00  4.65054e+00  0.00000e+00 0.00000e+00 2.36722e+02 31.344  1.98542e+01 31.344  0.9423 
1 1 1 14 2  11 o 4  1.74877e+02 4.33286e+00 1.53704e+02 164.309 -5.60705e+00 1.57517e+00  0.00000e+00 0.00000e+00 2.52880e+02 164.309 9.91760e+01 164.309 0.9095 
1 1 1 14 2  12 o 1  4.52963e+02 4.11874e+00 5.35090e+02 258.310 -1.05230e+01 -5.08579e+01 0.00000e+00 0.00000e+00 6.10442e+02 258.310 7.53521e+01 258.310 0.9903 
1 1 1 14 2  13 o 2  1.39442e+02 5.44932e+00 1.71262e+02 81.188  7.77462e-01  5.01498e+00  0.00000e+00 0.00000e+00 1.47128e+02 81.188  2.41340e+01 261.188 0.8951 
1 1 1 14 2  14 o 17 1.05986e+02 7.21234e+00 1.47870e+02 52.642  1.97981e+00  2.59338e+00  0.00000e+00 0.00000e+00 7.56418e+01 52.642  7.22285e+01 232.642 0.8277 
1 1 1 14 2  15 o 4  6.38065e+02 5.15169e+00 7.67912e+02 58.500  5.28357e+01  8.62205e+01  0.00000e+00 0.00000e+00 8.47771e+02 58.500  7.98591e+01 58.500  0.9950 
1 1 1 14 2  16 o 13 4.76812e+02 4.43767e+00 5.68294e+02 341.003 5.57840e+01  -1.92044e+01 0.00000e+00 0.00000e+00 6.33149e+02 341.003 6.48555e+01 341.003 0.9915 
1 1 1 14 2  17 o 12 4.78486e+02 4.35465e+00 5.22912e+02 234.268 -3.13006e+01 -4.35085e+01 0.00000e+00 0.00000e+00 6.79987e+02 234.268 1.57075e+02 234.268 0.9906 
1 1 1 14 2  19 o 8  4.15403e+02 4.04702e+00 5.47133e+02 211.009 -4.48583e+01 -2.69634e+01 0.00000e+00 0.00000e+00 4.93702e+02 211.009 5.34302e+01 31.009  0.9904 
1 1 1 14 2  20 o 1  2.47340e+02 3.87422e+00 2.93394e+02 193.548 -1.70820e+01 -4.11604e+00 0.00000e+00 0.00000e+00 3.13252e+02 193.548 1.98581e+01 193.548 0.9711 
1 1 1 14 2  21 o 16 2.08519e+02 4.07916e+00 6.89550e+01 85.567  3.01944e-01  3.89462e+00  0.00000e+00 0.00000e+00 3.83065e+02 85.567  3.14110e+02 85.567  0.8598 
1 1 1 14 2  22 o 15 1.63387e+02 4.96088e+00 1.51961e+02 170.289 -6.49807e+00 1.11201e+00  0.00000e+00 0.00000e+00 2.26589e+02 170.289 7.46285e+01 170.289 0.9207 
1 1 1 14 2  23 o 19 3.84893e+02 1.38913e+01 4.34726e+02 247.606 -1.66551e+01 -4.04197e+01 0.00000e+00 0.00000e+00 5.20857e+02 247.606 8.61316e+01 247.606 0.9885 
1 1 1 14 2  24 o 9  2.43689e+02 4.02037e+00 2.99878e+02 292.859 9.07158e+00  -2.15181e+01 0.00000e+00 0.00000e+00 2.97711e+02 292.859 2.16662e+00 112.859 0.9783 
1 1 1 14 2  25 o 5  3.72971e+02 4.01503e+00 5.12311e+02 67.685  2.26935e+01  5.52910e+01  0.00000e+00 0.00000e+00 4.12743e+02 67.685  9.95679e+01 247.685 0.9916 
1 1 1 14 2  26 o 14 2.55522e+02 3.92649e+00 3.05205e+02 65.190  1.18269e+01  2.55838e+01  0.00000e+00 0.00000e+00 3.21096e+02 65.190  1.58917e+01 65.190  0.9821 
1 1 1 14 2  27 o 6  2.23160e+02 4.09739e+00 2.26285e+02 82.971  2.09405e+00  1.69827e+01  0.00000e+00 0.00000e+00 3.12903e+02 82.971  8.66184e+01 82.971  0.9703 
1 1 1 14 2  29 o 14 2.72122e+02 3.98917e+00 2.89966e+02 216.380 -2.62720e+01 -1.93550e+01 0.00000e+00 0.00000e+00 3.73950e+02 216.380 8.39839e+01 216.380 0.9846 
1 1 1 14 2  30 o 7  1.48168e+02 5.06317e+00 2.37296e+02 199.518 -1.33294e+01 -4.72482e+00 0.00000e+00 0.00000e+00 1.15741e+02 199.518 1.21555e+02 19.518  0.9640 
1 1 1 14 2  31 o 3  1.67751e+02 4.73940e+00 1.30552e+02 269.780 -3.83188e-02 -1.00032e+01 0.00000e+00 0.00000e+00 2.61747e+02 269.780 1.31195e+02 269.780 0.9486 
1 1 1 14 2  32 o 6  2.50765e+02 4.03882e+00 2.56859e+02 14.103  2.80359e+01  7.04393e+00  0.00000e+00 0.00000e+00 3.48902e+02 14.103  9.20427e+01 14.103  0.9825 
1 1 1 14 2  33 o 16 1.76960e+02 4.50446e+00 1.35016e+02 342.512 1.01490e+01  -3.19754e+00 0.00000e+00 0.00000e+00 2.77913e+02 342.512 1.42896e+02 342.512 0.9518 
1 1 1 14 2  34 f 0  4.23180e+02 3.99276e+00 4.39997e+02 329.409 7.92307e+01  -4.68408e+01 0.00000e+00 0.00000e+00 5.88873e+02 329.409 1.48876e+02 329.409 0.9946 
1 1 1 14 2  35 o 18 2.37797e+02 3.99623e+00 2.43776e+02 159.845 -3.05522e+01 1.12135e+01  0.00000e+00 0.00000e+00 3.26839e+02 159.845 8.30633e+01 159.845 0.9845 
1 1 1 14 2  36 o 4  7.06740e+01 9.77834e+00 2.85336e+01 97.407  -1.27247e-01 9.78859e-01  0.00000e+00 0.00000e+00 4.73361e+01 97.407  1.88024e+01 97.407  0.4418 
1 1 1 14 2  37 o 11 5.79239e+01 1.07019e+01 1.04957e+02 179.644 -3.84078e+00 2.38781e-02  0.00000e+00 0.00000e+00 1.53003e+01 179.644 8.96569e+01 359.644 0.8571 
1 1 1 14 2  38 o 3  7.45499e+01 9.08454e+00 1.21757e+02 250.271 -2.07896e+00 -5.79714e+00 0.00000e+00 0.00000e+00 4.28943e+01 250.271 7.88625e+01 70.271  0.9148 
1 1 1 14 2  39 o 12 1.76902e+02 4.44869e+00 2.11895e+02 296.273 1.18990e+01  -2.41046e+01 0.00000e+00 0.00000e+00 2.05809e+02 296.273 6.08597e+00 116.273 0.9812 
1 1 1 14 2  40 o 3  2.90887e+02 3.77263e+00 3.73680e+02 227.122 -5.75994e+01 -6.20331e+01 0.00000e+00 0.00000e+00 3.19800e+02 227.122 5.38802e+01 47.122  0.9941 
1 1 1 14 2  41 o 3  1.23317e+02 5.03494e+00 1.29939e+02 232.176 -7.20788e+00 -9.28416e+00 0.00000e+00 0.00000e+00 1.51941e+02 232.176 2.20019e+01 232.176 0.9565 
1 1 1 14 2  42 o 11 1.01252e+02 5.89337e+00 1.30779e+02 197.473 -1.14652e+01 -3.60903e+00 0.00000e+00 0.00000e+00 1.00075e+02 197.473 3.07040e+01 17.473  0.9575 
1 1 1 14 2  43 o 13 7.91662e+01 7.09538e+00 1.51881e+02 23.848  1.08760e+01  4.80786e+00  0.00000e+00 0.00000e+00 2.78683e+01 23.848  1.24013e+02 203.848 0.9570 
1 1 1 14 2  44 o 11 1.01726e+02 5.78747e+00 1.02869e+02 172.579 -1.07251e+01 1.39698e+00  0.00000e+00 0.00000e+00 1.26181e+02 172.579 2.33124e+01 172.579 0.9526 
1 1 1 14 2  45 o 13 1.10810e+02 5.26725e+00 1.24410e+02 17.448  1.28871e+01  4.05035e+00  0.00000e+00 0.00000e+00 1.26659e+02 17.448  2.24825e+00 17.448  0.9622 
1 1 1 14 2  46 o 7  1.90121e+02 4.10021e+00 1.97674e+02 33.841  3.92814e+01  2.63369e+01  0.00000e+00 0.00000e+00 2.43502e+02 33.841  4.58286e+01 33.841  0.9894 
1 1 1 14 2  48 o 6  1.60100e+02 4.46922e+00 1.65912e+02 44.099  2.66154e+01  2.57911e+01  0.00000e+00 0.00000e+00 2.01498e+02 44.099  3.55854e+01 44.099  0.9864 
1 1 1 14 2  49 f 0  9.35319e+01 6.16477e+00 6.78582e+01 71.344  2.67247e+00  7.91557e+00  0.00000e+00 0.00000e+00 1.35419e+02 71.344  6.75606e+01 71.344  0.9381 
1 1 1 14 2  50 o 10 9.41585e+01 5.93250e+00 1.08196e+02 44.745  1.00259e+01  9.93719e+00  0.00000e+00 0.00000e+00 1.01177e+02 44.745  7.01943e+00 224.745 0.9639 
1 1 1 14 2  51 o 10 9.14923e+01 5.96816e+00 7.57824e+01 149.389 -9.68091e+00 5.72774e+00  0.00000e+00 0.00000e+00 1.24793e+02 149.389 4.90109e+01 149.389 0.9545 
1 1 1 14 2  52 o 4  4.52462e+01 9.81623e+00 1.92846e+01 207.388 -1.12106e+00 -5.80806e-01 0.00000e+00 0.00000e+00 3.57311e+01 207.388 1.64465e+01 207.388 0.5317 
1 1 1 14 2  53 f 0  8.16643e+01 8.28673e+00 1.05575e+02 11.732  1.42758e+01  2.96461e+00  0.00000e+00 0.00000e+00 7.38289e+01 11.732  3.17464e+01 191.732 0.9651 
1 1 1 14 2  54 o 9  8.58592e+01 7.41081e+00 1.05311e+02 283.235 3.50525e+00  -1.49035e+01 0.00000e+00 0.00000e+00 8.27701e+01 283.235 2.25411e+01 103.235 0.9668 
1 1 1 14 2  55 o 4  4.26333e+01 1.02358e+01 6.15862e+01 203.478 -4.03425e+00 -1.75227e+00 0.00000e+00 0.00000e+00 2.27615e+01 203.478 3.88248e+01 23.478  0.8773 
1 1 1 14 2  56 o 6  1.01088e+02 7.32737e+00 6.75561e+01 7.610   1.42258e+01  1.90067e+00  0.00000e+00 0.00000e+00 1.51279e+02 7.610   8.37232e+01 7.610   0.9645 
1 1 1 14 2  57 f 0  5.70583e+01 8.79411e+00 5.79287e+01 235.585 -3.93927e+00 -5.74985e+00 0.00000e+00 0.00000e+00 5.99807e+01 235.585 2.05199e+00 235.585 0.9252 
1 1 1 14 2  58 o 6  9.85625e+01 7.70971e+00 9.67380e+01 171.590 -2.25310e+01 3.33115e+00  0.00000e+00 0.00000e+00 1.17453e+02 171.590 2.07152e+01 171.590 0.9778 
1 1 1 14 2  59 o 16 4.93114e+01 9.09666e+00 6.65382e+01 34.153  6.17652e+00  4.19019e+00  0.00000e+00 0.00000e+00 3.49125e+01 34.153  3.16257e+01 214.153 0.9304 
1 1 1 14 3  0  o 3  1.90758e+02 5.83691e+00 2.30238e+02 180.000 -4.40627e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.60135e+02 180.000 2.98966e+01 180.000 0.9997 
1 1 1 14 3  1  o 7  4.66838e+02 4.00840e+00 5.77351e+02 335.628 4.92451e+01  -2.23092e+01 0.00000e+00 0.00000e+00 6.11880e+02 335.628 3.45284e+01 335.628 0.9907 
1 1 1 14 3  2  o 4  2.71161e+02 3.93854e+00 4.23466e+02 237.954 -1.22010e+01 -1.94908e+01 0.00000e+00 0.00000e+00 2.58353e+02 237.954 1.65113e+02 57.954  0.9780 
1 1 1 14 3  3  o 3  6.33723e+02 4.87031e+00 6.88765e+02 41.177  6.54583e+01  5.72578e+01  0.00000e+00 0.00000e+00 9.30778e+02 41.177  2.42013e+02 41.177  0.9942 
1 1 1 14 3  4  o 6  2.13637e+02 4.20652e+00 2.77265e+02 40.235  8.98651e+00  7.60354e+00  0.00000e+00 0.00000e+00 2.47845e+02 40.235  2.94198e+01 220.235 0.9565 
1 1 1 14 3  5  o 10 1.26065e+02 5.60440e+00 5.99983e+01 61.281  7.15980e-01  1.30675e+00  0.00000e+00 0.00000e+00 1.32238e+02 61.281  7.22399e+01 61.281  0.5937 
1 1 1 14 3  6  o 12 2.01851e+02 4.16931e+00 1.44692e+02 133.664 -3.96114e+00 4.15031e+00  0.00000e+00 0.00000e+00 3.25907e+02 133.664 1.81215e+02 133.664 0.9081 
1 1 1 14 3  7  o 10 5.53812e+02 4.20693e+00 7.92819e+02 293.165 3.36730e+01  -7.86966e+01 0.00000e+00 0.00000e+00 6.19932e+02 293.165 1.72887e+02 113.165 0.9941 
1 1 1 14 3  8  o 13 2.51223e+02 3.72678e+00 3.65353e+02 204.471 -1.83896e+01 -8.36924e+00 0.00000e+00 0.00000e+00 2.62715e+02 204.471 1.02638e+02 24.471  0.9749 
1 1 1 14 3  9  o 3  1.28779e+02 5.34337e+00 2.27283e+02 319.084 4.80672e+00  -4.16605e+00 0.00000e+00 0.00000e+00 7.55233e+01 319.084 1.51760e+02 139.084 0.9176 
1 1 1 14 3  10 o 2  3.52945e+02 3.59700e+00 3.42662e+02 218.921 -2.03401e+01 -1.64247e+01 0.00000e+00 0.00000e+00 5.43548e+02 218.921 2.00886e+02 218.921 0.9807 
1 1 1 14 3  11 o 8  2.79251e+02 3.62275e+00 2.92605e+02 198.215 -1.66006e+01 -5.46278e+00 0.00000e+00 0.00000e+00 4.00981e+02 198.215 1.08377e+02 198.215 0.9710 
1 1 1 14 3  12 o 18 3.82066e+02 3.66579e+00 3.53662e+02 76.323  6.80440e+00  2.79612e+01  0.00000e+00 0.00000e+00 6.05590e+02 76.323  2.51929e+02 76.323  0.9825 
1 1 1 14 3  13 o 14 4.42788e+02 4.29769e+00 6.76478e+02 164.233 -6.04848e+01 1.70783e+01  0.00000e+00 0.00000e+00 4.44816e+02 164.233 2.31661e+02 344.233 0.9920 
1 1 1 14 3  14 o 18 4.56793e+02 4.17540e+00 6.13676e+02 59.335  2.95773e+01  4.98829e+01  0.00000e+00 0.00000e+00 5.40956e+02 59.335  7.27193e+01 239.335 0.9913 
1 1 1 14 3  15 o 13 3.00832e+02 4.11724e+00 4.10435e+02 311.919 1.79940e+01  -2.00413e+01 0.00000e+00 0.00000e+00 3.41301e+02 311.919 6.91339e+01 131.919 0.9813 
1 1 1 14 3  16 o 15 2.32430e+02 4.67752e+00 2.10914e+02 240.394 -5.19489e+00 -9.14260e+00 0.00000e+00 0.00000e+00 3.51346e+02 240.394 1.40432e+02 240.394 0.9512 
1 1 1 14 3  18 o 3  2.23944e+02 4.20218e+00 3.16989e+02 266.180 -1.09303e+00 -1.63704e+01 0.00000e+00 0.00000e+00 2.33285e+02 266.180 8.37033e+01 86.180  0.9690 
1 1 1 14 3  19 o 12 1.63794e+02 4.84915e+00 2.32047e+02 190.738 -9.06413e+00 -1.71894e+00 0.00000e+00 0.00000e+00 1.59465e+02 190.738 7.25821e+01 10.738  0.9441 
1 1 1 14 3  20 o 2  8.68954e+02 6.18299e+00 1.13145e+03 58.551  1.39153e+02  2.27531e+02  0.00000e+00 0.00000e+00 1.06065e+03 58.551  7.08088e+01 238.551 0.9981 
1 1 1 14 3  21 o 16 3.94775e+02 3.99734e+00 4.96773e+02 348.061 5.14428e+01  -1.08775e+01 0.00000e+00 0.00000e+00 4.89714e+02 348.061 7.05887e+00 168.061 0.9904 
1 1 1 14 3  22 o 5  3.40307e+02 3.79670e+00 3.47655e+02 47.449  2.23769e+01  2.43763e+01  0.00000e+00 0.00000e+00 4.96287e+02 47.449  1.48632e+02 47.449  0.9848 
1 1 1 14 3  24 o 14 2.28155e+02 4.06530e+00 3.08143e+02 260.346 -3.72063e+00 -2.18732e+01 0.00000e+00 0.00000e+00 2.51092e+02 260.346 5.70509e+01 80.346  0.9772 
1 1 1 14 3  25 o 1  1.61172e+02 4.86360e+00 1.76466e+02 169.310 -1.01606e+01 1.91810e+00  0.00000e+00 0.00000e+00 2.06918e+02 169.310 3.04514e+01 169.310 0.9503 
1 1 1 14 3  26 o 5  4.11918e+02 3.92596e+00 3.31314e+02 16.158  4.49164e+01  1.30139e+01  0.00000e+00 0.00000e+00 6.86399e+02 16.158  3.55084e+02 16.158  0.9892 
1 1 1 14 3  27 o 18 2.54738e+02 4.17011e+00 3.05028e+02 116.987 -1.18063e+01 2.31839e+01  0.00000e+00 0.00000e+00 3.17411e+02 116.987 1.23831e+01 116.987 0.9806 
1 1 1 14 3  29 o 16 1.45622e+02 5.17902e+00 1.92214e+02 209.545 -9.90778e+00 -5.61593e+00 0.00000e+00 0.00000e+00 1.52663e+02 209.545 3.95516e+01 29.545  0.9550 
1 1 1 14 3  30 o 14 1.85806e+02 4.47675e+00 1.82858e+02 297.396 7.23759e+00  -1.39650e+01 0.00000e+00 0.00000e+00 2.61875e+02 297.396 7.90171e+01 297.396 0.9677 
1 1 1 14 3  31 o 4  1.68486e+02 4.75884e+00 1.37558e+02 297.365 4.82797e+00  -9.32790e+00 0.00000e+00 0.00000e+00 2.57785e+02 297.365 1.20226e+02 297.365 0.9511 
1 1 1 14 3  32 o 2  2.01537e+02 4.35939e+00 6.93730e+01 339.095 5.90237e+00  -2.25448e+00 0.00000e+00 0.00000e+00 3.85334e+02 339.095 3.15961e+02 339.095 0.9170 
1 1 1 14 3  33 f 0  6.07401e+01 1.04726e+01 1.49753e+02 226.707 -2.95607e+00 -3.13769e+00 0.00000e+00 0.00000e+00 1.94351e+01 46.707  1.69188e+02 46.707  0.8745 
1 1 1 14 3  34 o 4  1.07704e+02 6.43120e+00 1.70535e+02 123.110 -5.61435e+00 8.60902e+00  0.00000e+00 0.00000e+00 7.97807e+01 123.110 9.07543e+01 303.110 0.9500 
1 1 1 14 3  35 o 8  1.32620e+02 5.47788e+00 1.24930e+02 306.766 5.12802e+00  -6.86329e+00 0.00000e+00 0.00000e+00 1.79031e+02 306.766 5.41007e+01 306.766 0.9397 
1 1 1 14 3  36 o 18 9.52111e+01 7.29071e+00 1.46473e+02 142.599 -7.44946e+00 5.69568e+00  0.00000e+00 0.00000e+00 7.23266e+01 142.599 7.41466e+01 322.599 0.9451 
1 1 1 14 3  37 o 14 5.29272e+01 1.07624e+01 6.90204e+01 329.112 2.05790e+00  -1.23103e+00 0.00000e+00 0.00000e+00 2.76399e+01 329.112 4.13805e+01 149.112 0.7534 
1 1 1 14 3  38 o 18 1.15764e+02 5.93606e+00 1.59506e+02 176.977 -1.29115e+01 6.81916e-01  0.00000e+00 0.00000e+00 1.09151e+02 176.977 5.03551e+01 356.977 0.9605 
1 1 1 14 3  39 o 14 1.80187e+02 4.47525e+00 2.27776e+02 105.045 -7.57845e+00 2.81945e+01  0.00000e+00 0.00000e+00 1.98639e+02 105.045 2.91369e+01 285.045 0.9827 
1 1 1 14 3  40 o 9  1.36534e+02 4.93552e+00 1.44262e+02 269.201 -2.10090e-01 -1.50748e+01 0.00000e+00 0.00000e+00 1.72350e+02 269.201 2.80873e+01 269.201 0.9662 
1 1 1 14 3  41 o 10 7.12577e+01 8.63917e+00 1.45077e+02 80.247  1.54689e+00  8.99930e+00  0.00000e+00 0.00000e+00 1.57188e+01 80.247  1.29358e+02 260.247 0.9435 
1 1 1 14 3  42 o 8  5.14244e+01 1.05095e+01 8.49135e+01 299.288 1.61639e+00  -2.88181e+00 0.00000e+00 0.00000e+00 1.68209e+01 299.288 6.80926e+01 119.288 0.8302 
1 1 1 14 3  43 f 0  8.75474e+01 7.00389e+00 6.52158e+01 193.248 -5.46727e+00 -1.28718e+00 0.00000e+00 0.00000e+00 1.23100e+02 193.248 5.78837e+01 193.248 0.9060 
1 1 1 14 3  44 o 1  1.99620e+02 3.85181e+00 1.87020e+02 167.668 -3.83002e+01 8.37339e+00  0.00000e+00 0.00000e+00 2.79099e+02 167.668 9.20793e+01 167.668 0.9872 
1 1 1 14 3  45 o 9  1.54752e+02 4.36468e+00 1.28424e+02 333.619 2.09949e+01  -1.04134e+01 0.00000e+00 0.00000e+00 2.28357e+02 333.619 9.99333e+01 333.619 0.9784 
1 1 1 14 3  46 o 15 9.67651e+01 6.27422e+00 1.50922e+02 150.915 -1.54437e+01 8.59058e+00  0.00000e+00 0.00000e+00 6.96732e+01 150.915 8.12485e+01 330.915 0.9713 
1 1 1 14 3  47 o 13 5.76356e+01 9.91037e+00 7.39283e+01 302.305 2.02086e+00  -3.19606e+00 0.00000e+00 0.00000e+00 4.12101e+01 302.305 3.27182e+01 122.305 0.8546 
1 1 1 14 3  48 o 14 7.99990e+01 7.71248e+00 1.00367e+02 250.328 -3.63502e+00 -1.01679e+01 0.00000e+00 0.00000e+00 7.70359e+01 250.328 2.33315e+01 70.328  0.9525 
1 1 1 14 3  49 o 11 6.16467e+01 8.85345e+00 6.32749e+01 94.998  -4.18967e-01 4.79072e+00  0.00000e+00 0.00000e+00 6.37489e+01 94.998  4.74065e-01 94.998  0.8888 
1 1 1 14 3  50 o 18 3.43210e+01 9.72951e+00 2.03587e+01 324.486 7.48069e-01  -5.33865e-01 0.00000e+00 0.00000e+00 1.26781e+01 324.486 7.68066e+00 144.486 0.4170 
1 1 1 14 3  51 o 15 3.82297e+01 9.89357e+00 4.78547e+01 208.441 -2.32650e+00 -1.26011e+00 0.00000e+00 0.00000e+00 2.06823e+01 208.441 2.71724e+01 28.441  0.7800 
1 1 1 14 3  52 o 19 8.73729e+01 6.31479e+00 8.13730e+01 12.746  1.08512e+01  2.45452e+00  0.00000e+00 0.00000e+00 1.09355e+02 12.746  2.79816e+01 12.746  0.9539 
1 1 1 14 3  53 o 10 1.06695e+02 6.41088e+00 7.74125e+01 161.613 -1.39223e+01 4.62780e+00  0.00000e+00 0.00000e+00 1.57200e+02 161.613 7.97872e+01 161.613 0.9653 
1 1 1 14 3  54 o 8  8.06531e+01 1.04821e+01 7.73731e+01 12.094  9.40175e+00  2.01455e+00  0.00000e+00 0.00000e+00 9.57179e+01 12.094  1.83448e+01 12.094  0.9465 
1 1 1 14 3  55 o 12 1.00455e+02 5.78884e+00 8.89970e+01 327.626 1.59718e+01  -1.01257e+01 0.00000e+00 0.00000e+00 1.31636e+02 327.626 4.26392e+01 327.626 0.9732 
1 1 1 14 3  56 o 9  5.14729e+01 1.00261e+01 5.08425e+01 168.943 -4.83967e+00 9.45735e-01  0.00000e+00 0.00000e+00 5.22556e+01 168.943 1.41304e+00 168.943 0.8918 
1 1 1 14 3  57 o 13 9.63482e+01 6.92821e+00 8.90163e+01 272.828 9.57905e-01  -1.93900e+01 0.00000e+00 0.00000e+00 1.20714e+02 272.828 3.16978e+01 272.828 0.9739 
1 1 1 14 3  58 o 13 6.15487e+01 9.43711e+00 4.18758e+01 94.598  -4.75549e-01 5.91317e+00  0.00000e+00 0.00000e+00 8.28706e+01 94.598  4.09949e+01 94.598  0.9113 
1 1 1 14 3  59 o 12 3.62258e+01 1.02505e+01 1.19191e+01 300.591 4.71416e-01  -7.97411e-01 0.00000e+00 0.00000e+00 2.17239e+01 300.591 9.80472e+00 300.591 0.4197 
1 1 1 14 4  0  o 16 2.62172e+02 5.29943e+00 2.70961e+02 0.000   6.96294e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.03864e+02 0.000   1.32903e+02 0.000   1.0000 
1 1 1 14 4  1  o 11 2.64404e+02 3.58966e+00 4.35773e+02 203.071 -2.07744e+01 -8.84877e+00 0.00000e+00 0.00000e+00 2.29525e+02 203.071 2.06247e+02 23.071  0.9776 
1 1 1 14 4  2  o 5  1.60641e+02 4.54745e+00 2.68071e+02 163.900 -8.07852e+00 2.33166e+00  0.00000e+00 0.00000e+00 1.19921e+02 163.900 1.48150e+02 343.901 0.9385 
1 1 1 14 4  3  o 16 2.49455e+02 3.99861e+00 3.22537e+02 233.229 -9.38833e+00 -1.25628e+01 0.00000e+00 0.00000e+00 2.98495e+02 233.229 2.40423e+01 53.229  0.9676 
1 1 1 14 4  4  o 10 5.55654e+01 1.06479e+01 1.35980e+02 304.979 9.30935e-01  -1.33053e+00 0.00000e+00 0.00000e+00 4.66097e+01 124.979 1.82590e+02 124.979 0.6253 
1 1 1 14 4  5  o 13 2.59013e+02 3.94755e+00 1.96551e+02 130.707 -7.30005e+00 8.48501e+00  0.00000e+00 0.00000e+00 4.38941e+02 130.707 2.42391e+02 130.707 0.9542 
1 1 1 14 4  6  o 9  3.46608e+02 4.16150e+00 4.00827e+02 241.129 -1.46588e+01 -2.65858e+01 0.00000e+00 0.00000e+00 4.75155e+02 241.129 7.43282e+01 241.129 0.9834 
1 1 1 14 4  7  o 14 9.14125e+01 7.24064e+00 1.21021e+02 39.279  1.84094e+00  1.50567e+00  0.00000e+00 0.00000e+00 5.53298e+01 39.279  6.56915e+01 219.279 0.7511 
1 1 1 14 4  8  o 2  1.90585e+02 4.47095e+00 3.15509e+02 344.651 1.24835e+01  -3.42654e+00 0.00000e+00 0.00000e+00 1.54409e+02 344.651 1.61099e+02 164.651 0.9606 
1 1 1 14 4  9  o 17 2.14227e+02 4.74507e+00 2.07095e+02 352.018 9.37186e+00  -1.31417e+00 0.00000e+00 0.00000e+00 3.12501e+02 352.018 1.05406e+02 352.018 0.9456 
1 1 1 14 4  10 o 3  4.18425e+02 3.77772e+00 5.12368e+02 50.525  2.90728e+01  3.52990e+01  0.00000e+00 0.00000e+00 5.48222e+02 50.525  3.58540e+01 50.525  0.9890 
1 1 1 14 4  11 o 17 3.04632e+02 3.79243e+00 3.64828e+02 213.465 -1.95521e+01 -1.29243e+01 0.00000e+00 0.00000e+00 3.98380e+02 213.465 3.35526e+01 213.465 0.9784 
1 1 1 14 4  12 o 16 2.03502e+02 4.06713e+00 4.01563e+02 126.060 -1.00142e+01 1.37531e+01  0.00000e+00 0.00000e+00 1.03464e+02 126.060 2.98098e+02 306.060 0.9702 
1 1 1 14 4  13 o 9  7.88344e+01 8.09184e+00 1.40655e+02 224.297 -1.72150e+00 -1.67980e+00 0.00000e+00 0.00000e+00 1.12919e+01 224.297 1.29363e+02 44.298  0.7543 
1 1 1 14 4  14 o 9  2.84610e+02 3.65949e+00 3.58958e+02 285.353 5.87324e+00  -2.13909e+01 0.00000e+00 0.00000e+00 3.50889e+02 285.353 8.06855e+00 105.353 0.9772 
1 1 1 14 4  15 o 17 6.46765e+02 5.20980e+00 7.45769e+02 92.726  -5.43782e+00 1.14215e+02  0.00000e+00 0.00000e+00 8.95687e+02 92.726  1.49918e+02 92.726  0.9956 
1 1 1 14 4  17 o 8  4.65142e+02 4.27731e+00 5.37644e+02 196.158 -5.93284e+01 -1.71892e+01 0.00000e+00 0.00000e+00 6.35180e+02 196.158 9.75363e+01 196.158 0.9919 
1 1 1 14 4  18 o 17 8.67581e+01 8.76110e+00 1.00035e+02 5.724   2.05913e+00  2.06409e-01  0.00000e+00 0.00000e+00 5.60656e+01 5.724   4.39691e+01 185.724 0.7089 
1 1 1 14 4  19 o 2  4.71490e+02 4.32076e+00 5.16508e+02 290.178 2.29305e+01  -6.23987e+01 0.00000e+00 0.00000e+00 6.69325e+02 290.178 1.52817e+02 290.178 0.9925 
1 1 1 14 4  20 o 13 3.98625e+02 4.02059e+00 4.21847e+02 346.209 4.38065e+01  -1.07529e+01 0.00000e+00 0.00000e+00 5.75412e+02 346.209 1.53565e+02 346.209 0.9889 
1 1 1 14 4  21 o 4  1.83682e+02 4.93056e+00 1.09607e+02 183.220 -5.61071e+00 -3.15697e-01 0.00000e+00 0.00000e+00 3.10679e+02 183.220 2.01072e+02 183.220 0.9060 
1 1 1 14 4  23 o 14 2.47317e+02 4.14494e+00 3.79032e+02 58.395  1.55512e+01  2.52733e+01  0.00000e+00 0.00000e+00 2.32620e+02 58.395  1.46412e+02 238.395 0.9830 
1 1 1 14 4  24 o 14 8.35625e+01 9.51597e+00 4.97956e+01 125.658 -8.59162e-01 1.19750e+00  0.00000e+00 0.00000e+00 7.39076e+01 125.658 2.41120e+01 125.658 0.5896 
1 1 1 14 4  25 o 6  2.85230e+02 4.06036e+00 3.27295e+02 166.314 -3.12216e+01 7.60315e+00  0.00000e+00 0.00000e+00 3.76142e+02 166.314 4.88472e+01 166.314 0.9843 
1 1 1 14 4  26 f 0  8.77163e+01 7.93810e+00 1.13058e+02 199.702 -3.08508e+00 -1.10472e+00 0.00000e+00 0.00000e+00 6.86336e+01 199.702 4.44247e+01 19.702  0.8285 
1 1 1 14 4  28 o 9  4.13797e+02 4.09403e+00 4.59152e+02 268.564 -1.96049e+00 -7.82325e+01 0.00000e+00 0.00000e+00 5.63934e+02 268.564 1.04782e+02 268.564 0.9936 
1 1 1 14 4  29 o 6  4.20775e+02 3.99579e+00 3.36028e+02 224.395 -4.72353e+01 -4.62483e+01 0.00000e+00 0.00000e+00 7.00520e+02 224.395 3.64492e+02 224.395 0.9924 
1 1 1 14 4  30 o 2  1.76264e+02 4.73746e+00 1.63640e+02 28.902  1.15420e+01  6.37212e+00  0.00000e+00 0.00000e+00 2.55892e+02 28.902  9.22515e+01 28.902  0.9613 
1 1 1 14 4  31 o 4  3.18039e+02 3.97984e+00 3.66618e+02 44.881  3.77478e+01  3.75910e+01  0.00000e+00 0.00000e+00 4.11359e+02 44.881  4.47410e+01 44.881  0.9906 
1 1 1 14 4  32 o 13 6.77458e+01 9.71880e+00 8.29326e+01 346.097 2.33361e+00  -5.77648e-01 0.00000e+00 0.00000e+00 4.28897e+01 346.097 4.00430e+01 166.097 0.7541 
1 1 1 14 4  33 o 4  1.06564e+02 6.58517e+00 1.78905e+02 317.336 6.82212e+00  -6.28725e+00 0.00000e+00 0.00000e+00 6.82666e+01 317.336 1.10638e+02 137.336 0.9445 
1 1 1 14 4  34 o 5  1.40310e+02 5.49124e+00 1.27922e+02 131.334 -6.60143e+00 7.50536e+00  0.00000e+00 0.00000e+00 1.97997e+02 131.334 7.00753e+01 131.334 0.9486 
1 1 1 14 4  35 o 4  7.96733e+01 8.88915e+00 5.68224e+01 163.455 -2.14967e+00 6.38596e-01  0.00000e+00 0.00000e+00 8.59256e+01 163.455 2.91031e+01 163.455 0.7338 
1 1 1 14 4  36 o 6  8.56909e+01 7.72189e+00 9.38584e+01 111.065 -2.00824e+00 5.21399e+00  0.00000e+00 0.00000e+00 9.49909e+01 111.065 1.13253e+00 111.065 0.9054 
1 1 1 14 4  37 o 7  7.27291e+01 9.46965e+00 9.10901e+01 128.631 -2.79878e+00 3.50208e+00  0.00000e+00 0.00000e+00 6.41721e+01 128.631 2.69180e+01 308.631 0.8798 
1 1 1 14 4  38 o 17 2.62319e+02 4.74492e+00 2.71431e+02 337.880 4.73944e+01  -1.92645e+01 0.00000e+00 0.00000e+00 3.56766e+02 337.880 8.53347e+01 337.880 0.9902 
1 1 1 14 4  39 o 14 8.25797e+01 7.46617e+00 6.08193e+01 131.184 -2.49076e+00 2.84681e+00  0.00000e+00 0.00000e+00 1.09299e+02 131.184 4.84801e+01 131.184 0.8546 
1 1 1 14 4  40 o 7  1.87138e+02 4.18169e+00 1.73685e+02 290.976 8.64172e+00  -2.25407e+01 0.00000e+00 0.00000e+00 2.66467e+02 290.976 9.27817e+01 290.976 0.9791 
1 1 1 14 4  41 o 13 4.03972e+01 9.95972e+00 5.90493e+01 86.892  1.10313e-01  2.03160e+00  0.00000e+00 0.00000e+00 8.97294e+00 86.892  5.00764e+01 266.892 0.7034 
1 1 1 14 4  42 o 17 5.49664e+01 1.01229e+01 8.18298e+01 60.904  1.65090e+00  2.96655e+00  0.00000e+00 0.00000e+00 2.77077e+01 60.904  5.41220e+01 240.904 0.8354 
1 1 1 14 4  43 o 16 4.95043e+01 1.22155e+01 3.10274e+01 162.690 -1.33501e+00 4.16075e-01  0.00000e+00 0.00000e+00 3.60335e+01 162.690 5.00612e+00 162.690 0.5700 
1 1 1 14 4  44 o 19 7.24748e+01 8.41657e+00 1.08234e+02 125.118 -4.24136e+00 6.03079e+00  0.00000e+00 0.00000e+00 5.12656e+01 125.118 5.69688e+01 305.118 0.9295 
1 1 1 14 4  45 o 10 1.65162e+02 4.81088e+00 1.39575e+02 20.274  2.51224e+01  9.27989e+00  0.00000e+00 0.00000e+00 2.42646e+02 20.274  1.03071e+02 20.274  0.9811 
1 1 1 14 4  47 o 13 6.09739e+01 1.03220e+01 3.60976e+01 16.679  2.59749e+00  7.78258e-01  0.00000e+00 0.00000e+00 7.60748e+01 16.679  3.99772e+01 16.679  0.7862 
1 1 1 14 4  48 o 6  4.73449e+01 1.02085e+01 5.00636e+01 150.214 -2.47799e+00 1.41836e+00  0.00000e+00 0.00000e+00 3.80594e+01 150.214 1.20042e+01 330.214 0.7987 
1 1 1 14 4  49 o 16 4.58881e+01 9.25738e+00 5.92720e+01 174.603 -3.50014e+00 3.30682e-01  0.00000e+00 0.00000e+00 3.03873e+01 174.603 2.88847e+01 354.603 0.8419 
1 1 1 14 4  50 o 2  1.39419e+02 4.89711e+00 1.33336e+02 296.869 1.22740e+01  -2.42262e+01 0.00000e+00 0.00000e+00 1.82851e+02 296.869 4.95152e+01 296.869 0.9814 
1 1 1 14 4  51 o 18 1.13017e+02 6.44734e+00 9.58592e+01 100.564 -3.19146e+00 1.71130e+01  0.00000e+00 0.00000e+00 1.56586e+02 100.564 6.07268e+01 100.564 0.9708 
1 1 1 14 4  52 o 5  1.64670e+02 4.14663e+00 1.57595e+02 26.825  3.74637e+01  1.89444e+01  0.00000e+00 0.00000e+00 2.15077e+02 26.825  5.74821e+01 26.825  0.9880 
1 1 1 14 4  53 o 5  1.33979e+02 5.06141e+00 1.51499e+02 281.429 7.29444e+00  -3.60835e+01 0.00000e+00 0.00000e+00 1.49827e+02 281.429 1.67202e+00 101.429 0.9863 
1 1 1 14 4  54 o 9  6.98855e+01 9.78459e+00 8.40619e+01 43.808  7.28799e+00  6.99083e+00  0.00000e+00 0.00000e+00 6.64890e+01 43.808  1.75729e+01 223.808 0.9491 
1 1 1 14 4  55 o 3  4.90522e+01 1.11636e+01 2.65491e+01 32.173  1.90354e+00  1.19747e+00  0.00000e+00 0.00000e+00 5.48644e+01 32.173  2.83152e+01 32.173  0.7347 
1 1 1 14 4  56 o 4  8.54660e+01 8.03982e+00 9.28953e+01 276.181 1.87613e+00  -1.73247e+01 0.00000e+00 0.00000e+00 9.36606e+01 276.181 7.65368e-01 276.181 0.9709 
1 1 1 14 4  57 o 14 3.11294e+01 9.60959e+00 3.11087e+01 203.072 -1.97410e+00 -8.40894e-01 0.00000e+00 0.00000e+00 1.90595e+01 203.072 1.20493e+01 23.072  0.7203 
1 1 1 14 4  58 o 2  8.90670e+01 8.40577e+00 1.04446e+02 104.156 -5.46299e+00 2.16594e+01  0.00000e+00 0.00000e+00 8.93529e+01 104.156 1.50933e+01 284.156 0.9774 
1 1 1 14 4  59 o 7  2.97970e+01 1.00912e+01 1.15404e+01 136.135 -5.95660e-01 5.72520e-01  0.00000e+00 0.00000e+00 1.36356e+01 136.135 2.09518e+00 136.135 0.3814 
1 1 1 14 5  0  o 15 1.58889e+02 6.17468e+00 1.98211e+02 180.000 -3.41181e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.10401e+02 180.000 1.21896e+01 180.000 0.9978 
1 1 1 14 5  1  o 4  2.32533e+02 3.69452e+00 3.32382e+02 203.466 -1.53766e+01 -6.67521e+00 0.00000e+00 0.00000e+00 2.48735e+02 203.466 8.36467e+01 23.466  0.9697 
1 1 1 14 5  2  o 5  4.01327e+02 3.64503e+00 4.80896e+02 250.228 -1.41396e+01 -3.93348e+01 0.00000e+00 0.00000e+00 5.40811e+02 250.228 5.99155e+01 250.228 0.9880 
1 1 1 14 5  3  o 3  1.44709e+02 4.64358e+00 2.13534e+02 121.418 -3.47177e+00 5.68375e+00  0.00000e+00 0.00000e+00 1.30023e+02 121.418 8.35109e+01 301.418 0.9215 
1 1 1 14 5  4  o 7  4.26716e+02 3.70601e+00 5.73784e+02 120.155 -2.64744e+01 4.55701e+01  0.00000e+00 0.00000e+00 5.14746e+02 120.155 5.90381e+01 300.155 0.9905 
1 1 1 14 5  5  o 14 1.96732e+02 3.98907e+00 2.47045e+02 348.401 1.02771e+01  -2.10948e+00 0.00000e+00 0.00000e+00 2.34663e+02 348.401 1.23816e+01 168.401 0.9511 
1 1 1 14 5  6  o 15 2.69220e+02 3.89624e+00 3.40163e+02 33.279  1.64309e+01  1.07844e+01  0.00000e+00 0.00000e+00 3.34753e+02 33.279  5.40945e+00 213.279 0.9742 
1 1 1 14 5  7  o 4  3.30103e+02 3.70717e+00 3.26509e+02 336.995 2.11501e+01  -8.97968e+00 0.00000e+00 0.00000e+00 5.03776e+02 336.995 1.77267e+02 336.995 0.9780 
1 1 1 14 5  8  o 15 4.17157e+02 4.02474e+00 3.55186e+02 319.396 2.37724e+01  -2.03785e+01 0.00000e+00 0.00000e+00 6.99717e+02 319.396 3.44531e+02 319.396 0.9839 
1 1 1 14 5  9  o 14 3.80884e+02 3.88398e+00 4.59744e+02 204.931 -3.32623e+01 -1.54620e+01 0.00000e+00 0.00000e+00 5.05048e+02 204.931 4.53035e+01 204.931 0.9863 
1 1 1 14 5  10 o 11 2.18578e+02 3.86613e+00 1.92349e+02 245.779 -3.82788e+00 -8.50890e+00 0.00000e+00 0.00000e+00 3.37593e+02 245.779 1.45244e+02 245.779 0.9448 
1 1 1 14 5  11 o 4  3.87993e+02 3.96074e+00 4.00589e+02 98.948  -5.30692e+00 3.37060e+01  0.00000e+00 0.00000e+00 5.79484e+02 98.948  1.78894e+02 98.948  0.9852 
1 1 1 14 5  12 o 11 1.94868e+02 4.39872e+00 2.56954e+02 21.111  1.01273e+01  3.91010e+00  0.00000e+00 0.00000e+00 2.18590e+02 21.111  3.83639e+01 201.111 0.9528 
1 1 1 14 5  13 o 16 2.81701e+02 3.90276e+00 3.81661e+02 140.724 -1.98450e+01 1.62288e+01  0.00000e+00 0.00000e+00 3.24885e+02 140.724 5.67759e+01 320.724 0.9803 
1 1 1 14 5  15 o 5  1.60695e+02 4.74522e+00 5.64667e+01 152.124 -1.85803e+00 9.82763e-01  0.00000e+00 0.00000e+00 2.36311e+02 152.124 1.79844e+02 152.124 0.7138 
1 1 1 14 5  16 o 6  3.96370e+02 4.02003e+00 4.27794e+02 289.682 1.39848e+01  -3.90959e+01 0.00000e+00 0.00000e+00 5.70300e+02 289.682 1.42506e+02 289.682 0.9879 
1 1 1 14 5  17 o 2  4.30072e+01 1.12440e+01 1.23157e+02 67.900  4.64428e-01  1.14373e+00  0.00000e+00 0.00000e+00 6.58705e+01 247.900 1.89028e+02 247.900 0.5233 
1 1 1 14 5  18 o 17 1.62162e+02 5.31182e+00 2.30422e+02 60.066  5.03900e+00  8.75114e+00  0.00000e+00 0.00000e+00 1.60744e+02 60.066  6.96779e+01 240.066 0.9491 
1 1 1 14 5  19 o 14 1.50107e+02 5.85726e+00 7.77878e+01 296.891 1.48875e+00  -2.93563e+00 0.00000e+00 0.00000e+00 2.38131e+02 296.891 1.60343e+02 296.891 0.8294 
1 1 1 14 5  21 o 15 2.26513e+02 4.56772e+00 1.95231e+02 300.052 7.11542e+00  -1.22983e+01 0.00000e+00 0.00000e+00 3.57017e+02 300.052 1.61786e+02 300.052 0.9641 
1 1 1 14 5  22 o 15 4.19740e+02 4.07104e+00 5.48325e+02 183.118 -7.25896e+01 -3.95443e+00 0.00000e+00 0.00000e+00 5.03797e+02 183.118 4.45276e+01 3.118   0.9931 
1 1 1 14 5  23 o 16 3.64617e+02 3.90750e+00 4.82329e+02 196.477 -6.17156e+01 -1.82543e+01 0.00000e+00 0.00000e+00 4.29024e+02 196.477 5.33047e+01 16.477  0.9922 
1 1 1 14 5  24 o 5  2.27368e+02 4.11662e+00 2.81697e+02 200.793 -2.05946e+01 -7.82011e+00 0.00000e+00 0.00000e+00 2.76783e+02 200.793 4.91370e+00 20.793  0.9770 
1 1 1 14 5  25 o 1  1.78338e+02 5.50609e+00 2.44597e+02 121.621 -7.66282e+00 1.24454e+01  0.00000e+00 0.00000e+00 1.87215e+02 121.621 5.73817e+01 301.621 0.9652 
1 1 1 14 5  27 o 11 1.36091e+02 5.88504e+00 2.35666e+02 96.181  -1.41235e+00 1.30407e+01  0.00000e+00 0.00000e+00 9.09965e+01 96.181  1.44670e+02 276.181 0.9611 
1 1 1 14 5  28 o 8  1.57861e+02 5.35289e+00 2.47190e+02 154.199 -1.63526e+01 7.90542e+00  0.00000e+00 0.00000e+00 1.35146e+02 154.199 1.12045e+02 334.199 0.9721 
1 1 1 14 5  29 o 19 2.02020e+02 4.52065e+00 2.49545e+02 359.799 2.31531e+01  -8.12724e-02 0.00000e+00 0.00000e+00 2.41601e+02 359.799 7.94420e+00 179.799 0.9782 
1 1 1 14 5  30 o 5  1.10234e+02 7.23433e+00 1.56224e+02 150.757 -6.75538e+00 3.78212e+00  0.00000e+00 0.00000e+00 9.87466e+01 150.757 5.74770e+01 330.757 0.9330 
1 1 1 14 5  31 o 2  1.45683e+02 5.27711e+00 2.10662e+02 298.023 6.42651e+00  -1.20750e+01 0.00000e+00 0.00000e+00 1.36129e+02 298.023 7.45335e+01 118.023 0.9627 
1 1 1 14 5  32 o 17 1.45228e+02 5.36756e+00 1.15576e+02 39.377  6.40524e+00  5.25697e+00  0.00000e+00 0.00000e+00 2.20183e+02 39.377  1.04607e+02 39.377  0.9376 
1 1 1 14 5  33 o 11 1.36320e+02 5.70428e+00 2.03827e+02 136.639 -1.13018e+01 1.06728e+01  0.00000e+00 0.00000e+00 1.20416e+02 136.639 8.34111e+01 316.639 0.9673 
1 1 1 14 5  34 o 14 1.62412e+02 4.89036e+00 1.87435e+02 170.090 -1.54745e+01 2.70349e+00  0.00000e+00 0.00000e+00 1.97894e+02 170.090 1.04588e+01 170.090 0.9676 
1 1 1 14 5  35 f 0  2.03118e+02 4.34595e+00 1.33827e+02 171.860 -1.85349e+01 2.65119e+00  0.00000e+00 0.00000e+00 3.49272e+02 171.860 2.15445e+02 171.860 0.9729 
1 1 1 14 5  36 o 13 9.19734e+01 7.14892e+00 7.86871e+01 352.136 4.94298e+00  -6.82742e-01 0.00000e+00 0.00000e+00 1.21514e+02 352.136 4.28272e+01 352.136 0.8931 
1 1 1 14 5  37 o 14 7.39062e+01 8.53537e+00 1.06749e+02 132.676 -3.71068e+00 4.02456e+00  0.00000e+00 0.00000e+00 5.54472e+01 132.676 5.13018e+01 312.676 0.9033 
1 1 1 14 5  38 o 8  9.12751e+01 6.85125e+00 8.86909e+01 251.086 -2.00971e+00 -5.86506e+00 0.00000e+00 0.00000e+00 1.13635e+02 251.086 2.49439e+01 251.086 0.9154 
1 1 1 14 5  39 o 16 1.01508e+02 6.35112e+00 1.15633e+02 293.951 3.50091e+00  -7.88116e+00 0.00000e+00 0.00000e+00 1.14691e+02 293.951 9.42339e-01 113.951 0.9401 
1 1 1 14 5  40 o 8  1.56329e+02 4.69215e+00 1.68732e+02 306.870 1.47966e+01  -1.97288e+01 0.00000e+00 0.00000e+00 1.99595e+02 306.870 3.08631e+01 306.870 0.9795 
1 1 1 14 5  41 o 2  9.57675e+01 6.70862e+00 8.20503e+01 319.927 4.83486e+00  -4.06747e+00 0.00000e+00 0.00000e+00 1.28460e+02 319.927 4.64098e+01 319.927 0.9170 
1 1 1 14 5  42 o 19 5.05247e+01 1.04171e+01 1.08506e+02 145.054 -4.13464e+00 2.88932e+00  0.00000e+00 0.00000e+00 5.74345e-01 325.054 1.09080e+02 325.054 0.8944 
1 1 1 14 5  43 f 0  4.44142e+01 1.20903e+01 6.84677e+01 276.041 2.80088e-01  -2.64669e+00 0.00000e+00 0.00000e+00 1.41282e+01 276.041 5.43395e+01 96.041  0.7815 
1 1 1 14 5  44 o 6  9.46093e+01 6.49598e+00 1.11416e+02 121.698 -6.33974e+00 1.02656e+01  0.00000e+00 0.00000e+00 1.03376e+02 121.698 8.04052e+00 301.698 0.9576 
1 1 1 14 5  45 o 8  6.43462e+01 1.31937e+01 9.67929e+01 3.776   6.31931e+00  4.17063e-01  0.00000e+00 0.00000e+00 4.25969e+01 3.776   5.41959e+01 183.776 0.9172 
1 1 1 14 5  46 o 10 1.11981e+02 5.69156e+00 1.15450e+02 306.177 1.06514e+01  -1.45657e+01 0.00000e+00 0.00000e+00 1.40573e+02 306.177 2.51226e+01 306.177 0.9719 
1 1 1 14 5  47 o 11 3.87542e+01 1.01681e+01 4.36658e+01 13.900  2.07226e+00  5.12847e-01  0.00000e+00 0.00000e+00 2.15946e+01 13.900  2.20712e+01 193.900 0.7187 
1 1 1 14 5  48 o 6  1.20546e+02 5.36341e+00 1.64080e+02 290.800 9.35909e+00  -2.46375e+01 0.00000e+00 0.00000e+00 1.11819e+02 290.800 5.22605e+01 110.800 0.9808 
1 1 1 14 5  49 o 11 1.16633e+02 5.27832e+00 1.37623e+02 198.688 -2.23594e+01 -7.56282e+00 0.00000e+00 0.00000e+00 1.27593e+02 198.688 1.00308e+01 18.688  0.9786 
1 1 1 14 5  50 o 3  4.64368e+01 1.03853e+01 7.62694e+01 35.850  4.09855e+00  2.96136e+00  0.00000e+00 0.00000e+00 1.98594e+01 35.850  5.64100e+01 215.850 0.8947 
1 1 1 14 5  51 o 16 6.36120e+01 9.43097e+00 4.67308e+01 102.076 -8.98451e-01 4.19934e+00  0.00000e+00 0.00000e+00 8.13438e+01 102.076 3.46130e+01 102.076 0.8740 
1 1 1 14 5  52 o 1  3.41892e+01 9.79886e+00 4.02481e+01 84.300  2.19440e-01  2.19848e+00  0.00000e+00 0.00000e+00 1.69416e+01 84.300  2.33065e+01 264.300 0.7293 
1 1 1 14 5  53 o 8  1.02925e+02 6.16282e+00 1.11229e+02 259.716 -3.62338e+00 -1.99706e+01 0.00000e+00 0.00000e+00 1.17901e+02 259.716 6.67289e+00 259.716 0.9750 
1 1 1 14 5  54 f 0  6.47997e+01 1.10890e+01 2.72110e+01 101.391 -5.63975e-01 2.79918e+00  0.00000e+00 0.00000e+00 9.04113e+01 101.391 6.32004e+01 101.391 0.7987 
1 1 1 14 5  55 o 14 7.57665e+01 1.00647e+01 9.83704e+01 8.600   1.39303e+01  2.10665e+00  0.00000e+00 0.00000e+00 6.68135e+01 8.600   3.15569e+01 188.600 0.9638 
1 1 1 14 5  56 f 0  3.81547e+01 1.09656e+01 4.01856e+01 228.902 -1.93755e+00 -2.22119e+00 0.00000e+00 0.00000e+00 2.90468e+01 228.902 1.11388e+01 48.902  0.8060 
1 1 1 14 5  57 o 1  6.99262e+01 1.02645e+01 7.85136e+01 73.713  3.28111e+00  1.12301e+01  0.00000e+00 0.00000e+00 7.12854e+01 73.713  7.22819e+00 253.713 0.9563 
1 1 1 14 5  58 o 11 3.23530e+01 1.01411e+01 5.43845e+01 67.884  1.43618e+00  3.53405e+00  0.00000e+00 0.00000e+00 7.34982e+00 67.884  4.70347e+01 247.884 0.8560 
1 1 1 14 6  0  o 15 2.10064e+02 7.04940e+00 2.70682e+02 180.000 -5.99435e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.71551e+02 180.000 8.69135e-01 180.000 1.0000 
1 1 1 14 6  1  o 1  7.02846e+02 4.88891e+00 8.07421e+02 171.141 -1.18192e+02 1.84226e+01  0.00000e+00 0.00000e+00 9.99164e+02 171.141 1.91744e+02 171.141 0.9958 
1 1 1 14 6  2  o 8  3.44719e+02 3.59946e+00 2.39262e+02 302.708 9.40715e+00  -1.46488e+01 0.00000e+00 0.00000e+00 6.24468e+02 302.708 3.85206e+02 302.708 0.9708 
1 1 1 14 6  3  o 6  5.89367e+02 4.33947e+00 6.62955e+02 156.561 -7.53455e+01 3.26655e+01  0.00000e+00 0.00000e+00 8.48507e+02 156.561 1.85553e+02 156.561 0.9939 
1 1 1 14 6  4  o 8  1.40328e+02 5.02217e+00 2.35448e+02 309.526 4.39554e+00  -5.32728e+00 0.00000e+00 0.00000e+00 9.91917e+01 309.526 1.36257e+02 129.526 0.9245 
1 1 1 14 6  5  o 15 4.77714e+02 3.90031e+00 6.47960e+02 318.302 5.15914e+01  -4.59624e+01 0.00000e+00 0.00000e+00 5.74893e+02 318.302 7.30669e+01 138.302 0.9927 
1 1 1 14 6  6  o 10 6.47511e+01 9.66575e+00 1.63580e+02 313.391 1.57986e+00  -1.67120e+00 0.00000e+00 0.00000e+00 3.98616e+01 133.391 2.03441e+02 133.391 0.7413 
1 1 1 14 6  7  o 16 4.60243e+02 3.85236e+00 5.24158e+02 26.430  4.76452e+01  2.36828e+01  0.00000e+00 0.00000e+00 6.50171e+02 26.430  1.26013e+02 26.430  0.9906 
1 1 1 14 6  8  o 4  7.42980e+02 5.27012e+00 8.63940e+02 214.253 -1.15721e+02 -7.87996e+01 0.00000e+00 0.00000e+00 1.04179e+03 214.253 1.77852e+02 214.253 0.9964 
1 1 1 14 6  9  o 8  4.95235e+02 4.14176e+00 6.05824e+02 40.403  4.95606e+01  4.21835e+01  0.00000e+00 0.00000e+00 6.58247e+02 40.403  5.24224e+01 40.403  0.9923 
1 1 1 14 6  10 o 19 3.99932e+02 3.91705e+00 4.84657e+02 108.779 -1.49217e+01 4.38848e+01  0.00000e+00 0.00000e+00 5.32098e+02 108.779 4.74408e+01 108.779 0.9892 
1 1 1 14 6  12 o 6  1.25020e+02 5.80413e+00 1.64191e+02 291.505 1.75238e+00  -4.44749e+00 0.00000e+00 0.00000e+00 1.20615e+02 291.505 4.35757e+01 111.505 0.8880 
1 1 1 14 6  13 o 6  3.08307e+02 4.03232e+00 3.81264e+02 225.862 -2.02827e+01 -2.09025e+01 0.00000e+00 0.00000e+00 3.95108e+02 225.862 1.38441e+01 225.862 0.9827 
1 1 1 14 6  14 o 14 1.49492e+02 4.98436e+00 1.35041e+02 317.596 3.63483e+00  -3.31948e+00 0.00000e+00 0.00000e+00 2.06101e+02 317.596 7.10600e+01 317.596 0.8916 
1 1 1 14 6  15 o 1  1.00692e+02 6.88526e+00 9.72790e+01 218.765 -2.08556e+00 -1.67475e+00 0.00000e+00 0.00000e+00 1.04203e+02 218.765 6.92409e+00 218.765 0.7827 
1 1 1 14 6  16 o 5  5.23795e+02 4.88993e+00 6.09270e+02 325.378 7.12571e+01  -4.91970e+01 0.00000e+00 0.00000e+00 7.20214e+02 325.378 1.10944e+02 325.378 0.9942 
1 1 1 14 6  17 o 2  1.17487e+02 6.05053e+00 6.27683e+01 342.464 1.98918e+00  -6.28574e-01 0.00000e+00 0.00000e+00 1.50312e+02 342.464 8.75438e+01 342.464 0.7114 
1 1 1 14 6  19 o 18 4.43117e+02 4.40251e+00 4.62942e+02 303.826 3.70041e+01  -5.52211e+01 0.00000e+00 0.00000e+00 6.54704e+02 303.826 1.91761e+02 303.826 0.9924 
1 1 1 14 6  20 o 15 1.91275e+02 4.25354e+00 2.69469e+02 130.856 -1.07464e+01 1.24252e+01  0.00000e+00 0.00000e+00 2.00814e+02 130.856 6.86551e+01 310.856 0.9691 
1 1 1 14 6  21 o 10 1.27858e+02 5.97760e+00 2.66527e+02 51.018  7.85766e+00  9.70960e+00  0.00000e+00 0.00000e+00 4.40495e+01 51.018  2.22477e+02 231.018 0.9591 
1 1 1 14 6  22 o 15 2.98302e+02 3.93120e+00 3.74879e+02 61.948  1.91121e+01  3.58662e+01  0.00000e+00 0.00000e+00 3.69886e+02 61.948  4.99306e+00 241.948 0.9876 
1 1 1 14 6  23 o 10 3.01306e+02 4.00432e+00 3.27626e+02 337.040 3.10845e+01  -1.31691e+01 0.00000e+00 0.00000e+00 4.21246e+02 337.040 9.36196e+01 337.040 0.9851 
1 1 1 14 6  25 o 5  2.19796e+02 5.29728e+00 2.17145e+02 61.097  9.62638e+00  1.74359e+01  0.00000e+00 0.00000e+00 3.21075e+02 61.097  1.03930e+02 61.097  0.9746 
1 1 1 14 6  26 o 9  2.04599e+02 4.41549e+00 2.47844e+02 212.728 -1.75307e+01 -1.12665e+01 0.00000e+00 0.00000e+00 2.52647e+02 212.728 4.80301e+00 212.728 0.9757 
1 1 1 14 6  27 o 11 2.04141e+02 4.51621e+00 1.59539e+02 77.781  3.21855e+00  1.48625e+01  0.00000e+00 0.00000e+00 3.34014e+02 77.781  1.74475e+02 77.781  0.9665 
1 1 1 14 6  28 o 9  2.12490e+02 4.52498e+00 2.41402e+02 248.963 -8.44619e+00 -2.19612e+01 0.00000e+00 0.00000e+00 2.77466e+02 248.963 3.60633e+01 248.963 0.9785 
1 1 1 14 6  29 o 7  1.65836e+02 5.06557e+00 1.92968e+02 50.711  9.24360e+00  1.12978e+01  0.00000e+00 0.00000e+00 2.05455e+02 50.711  1.24876e+01 50.711  0.9651 
1 1 1 14 6  30 o 13 3.23503e+02 4.44671e+00 4.03138e+02 125.657 -3.85942e+01 5.37944e+01  0.00000e+00 0.00000e+00 3.94036e+02 125.657 9.10274e+00 305.657 0.9924 
1 1 1 14 6  31 o 3  2.10734e+02 4.37026e+00 2.79006e+02 146.790 -2.84312e+01 1.86119e+01  0.00000e+00 0.00000e+00 2.35138e+02 146.790 4.38678e+01 326.790 0.9852 
1 1 1 14 6  32 o 17 9.87948e+01 7.68048e+00 8.24916e+01 224.081 -3.22279e+00 -3.12103e+00 0.00000e+00 0.00000e+00 1.32211e+02 224.081 4.97196e+01 224.081 0.8799 
1 1 1 14 6  33 o 18 3.26618e+01 1.03956e+01 3.01225e+01 127.174 -2.91937e-01 3.84975e-01  0.00000e+00 0.00000e+00 1.12358e+01 307.174 4.13583e+01 307.174 0.2348 
1 1 1 14 6  34 o 13 3.78910e+02 4.11833e+00 3.94971e+02 331.217 9.08084e+01  -4.98882e+01 0.00000e+00 0.00000e+00 5.31035e+02 331.217 1.36063e+02 331.217 0.9952 
1 1 1 14 6  35 o 9  4.18941e+01 1.09426e+01 2.16706e+01 115.295 -2.53731e-01 5.36893e-01  0.00000e+00 0.00000e+00 7.51757e+00 115.295 1.41530e+01 295.295 0.2846 
1 1 1 14 6  36 o 14 8.12842e+01 7.61209e+00 7.24992e+01 78.250  8.25755e-01  3.96996e+00  0.00000e+00 0.00000e+00 9.92460e+01 78.250  2.67468e+01 78.250  0.8656 
1 1 1 14 6  37 o 1  3.18747e+01 9.66456e+00 4.68646e+01 204.939 -9.99110e-01 -4.64591e-01 0.00000e+00 0.00000e+00 9.53365e+00 24.939  5.63982e+01 24.939  0.4813 
1 1 1 14 6  38 o 15 1.60830e+02 4.38988e+00 2.07295e+02 136.615 -1.82475e+01 1.72465e+01  0.00000e+00 0.00000e+00 1.74937e+02 136.615 3.23585e+01 316.615 0.9799 
1 1 1 14 6  39 o 2  1.54210e+02 4.60763e+00 1.48793e+02 207.660 -1.91373e+01 -1.00301e+01 0.00000e+00 0.00000e+00 2.15260e+02 207.660 6.64662e+01 207.660 0.9766 
1 1 1 14 6  40 o 14 1.68686e+02 4.29189e+00 2.16249e+02 232.106 -1.86184e+01 -2.39216e+01 0.00000e+00 0.00000e+00 1.83383e+02 232.106 3.28660e+01 52.106  0.9834 
1 1 1 14 6  41 o 15 7.39069e+01 8.21341e+00 7.02734e+01 89.067  8.20026e-02  5.03714e+00  0.00000e+00 0.00000e+00 8.83959e+01 89.067  1.81225e+01 89.067  0.8943 
1 1 1 14 6  42 o 12 5.91769e+01 9.58313e+00 4.25473e+01 308.171 1.50281e+00  -1.91173e+00 0.00000e+00 0.00000e+00 6.46653e+01 308.171 2.21180e+01 308.171 0.7574 
1 1 1 14 6  43 o 2  1.05245e+02 5.93963e+00 9.46071e+01 347.226 1.13096e+01  -2.56411e+00 0.00000e+00 0.00000e+00 1.45164e+02 347.226 5.05566e+01 347.226 0.9559 
1 1 1 14 6  44 o 9  9.41929e+01 6.23331e+00 6.76955e+01 284.041 1.89362e+00  -7.57189e+00 0.00000e+00 0.00000e+00 1.41102e+02 284.041 7.34069e+01 284.041 0.9335 
1 1 1 14 6  45 o 19 8.33282e+01 1.05349e+01 9.63314e+01 287.928 2.18664e+00  -6.75848e+00 0.00000e+00 0.00000e+00 8.63187e+01 287.928 1.00127e+01 107.928 0.9267 
1 1 1 14 6  46 o 6  1.99465e+02 4.14148e+00 1.65500e+02 185.274 -4.79814e+01 -4.42917e+00 0.00000e+00 0.00000e+00 2.99562e+02 185.274 1.34062e+02 185.274 0.9896 
1 1 1 14 6  47 o 5  8.89808e+01 6.62334e+00 1.40129e+02 229.991 -1.05351e+01 -1.25514e+01 0.00000e+00 0.00000e+00 6.22063e+01 229.991 7.79229e+01 49.991  0.9690 
1 1 1 14 6  48 o 4  5.78022e+01 9.54881e+00 8.02789e+01 25.595  5.35860e+00  2.56688e+00  0.00000e+00 0.00000e+00 4.28473e+01 25.595  3.74316e+01 205.595 0.9114 
1 1 1 14 6  49 o 7  1.73311e+02 5.38821e+00 1.89833e+02 40.999  4.11776e+01  3.57933e+01  0.00000e+00 0.00000e+00 2.09806e+02 40.999  1.99734e+01 40.999  0.9908 
1 1 1 14 6  50 o 9  3.60694e+01 1.01514e+01 7.90616e+01 358.793 4.11151e+00  -8.66368e-02 0.00000e+00 0.00000e+00 6.53143e+00 178.793 8.55930e+01 178.793 0.8677 
1 1 1 14 6  51 f 0  5.09886e+01 9.73757e+00 5.43752e+01 136.584 -3.26955e+00 3.09359e+00  0.00000e+00 0.00000e+00 4.91981e+01 136.584 5.17717e+00 316.584 0.8804 
1 1 1 14 6  52 o 10 7.17885e+01 1.05118e+01 7.78371e+01 131.150 -5.67457e+00 6.49333e+00  0.00000e+00 0.00000e+00 7.71907e+01 131.150 6.46382e-01 311.150 0.9401 
1 1 1 14 6  53 o 8  3.82641e+01 1.09431e+01 3.93518e+01 143.300 -1.98342e+00 1.47841e+00  0.00000e+00 0.00000e+00 2.73331e+01 143.300 1.20187e+01 323.300 0.7621 
1 1 1 14 6  54 o 13 3.77779e+01 1.00012e+01 4.07786e+01 305.234 1.69962e+00  -2.40630e+00 0.00000e+00 0.00000e+00 2.85220e+01 305.234 1.22566e+01 125.234 0.8059 
1 1 1 14 6  55 o 2  4.07414e+01 1.09688e+01 5.55209e+01 288.903 1.41530e+00  -4.13314e+00 0.00000e+00 0.00000e+00 2.53660e+01 288.903 3.01549e+01 108.903 0.8763 
1 1 1 14 6  56 o 12 6.71632e+01 9.92770e+00 5.12228e+01 214.733 -6.17847e+00 -4.28339e+00 0.00000e+00 0.00000e+00 8.97461e+01 214.733 3.85234e+01 214.733 0.9309 
1 1 1 14 6  57 o 11 7.52776e+01 9.64793e+00 8.99475e+01 23.311  1.39345e+01  6.00425e+00  0.00000e+00 0.00000e+00 7.32915e+01 23.311  1.66560e+01 203.311 0.9665 
1 1 1 14 6  58 o 12 5.66378e+01 1.18383e+01 9.32661e+01 201.440 -1.07294e+01 -4.21357e+00 0.00000e+00 0.00000e+00 2.75696e+01 201.440 6.56965e+01 21.440  0.9556 
1 1 1 14 7  0  o 8  2.36691e+01 1.56462e+01 5.85426e+01 180.000 -1.62312e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.86937e+01 0.000   1.07236e+02 0.000   0.1609 
1 1 1 14 7  1  o 16 1.50908e+02 4.93991e+00 2.02122e+02 240.611 -3.61220e+00 -6.41363e+00 0.00000e+00 0.00000e+00 1.60552e+02 240.611 4.15696e+01 60.612  0.9294 
1 1 1 14 7  2  o 4  2.24170e+02 4.06337e+00 2.59929e+02 94.473  -1.09782e+00 1.40331e+01  0.00000e+00 0.00000e+00 2.98709e+02 94.473  3.87795e+01 94.473  0.9638 
1 1 1 14 7  3  o 11 2.60621e+02 4.00112e+00 2.96557e+02 18.703  1.76449e+01  5.97333e+00  0.00000e+00 0.00000e+00 3.58830e+02 18.703  6.22728e+01 18.703  0.9728 
1 1 1 14 7  4  o 7  2.44754e+02 3.97012e+00 3.83145e+02 224.193 -1.61525e+01 -1.57035e+01 0.00000e+00 0.00000e+00 2.35172e+02 224.193 1.47973e+02 44.193  0.9775 
1 1 1 14 7  5  o 7  4.70117e+02 1.78892e+01 5.44665e+02 20.351  5.24890e+01  1.94698e+01  0.00000e+00 0.00000e+00 6.58893e+02 20.351  1.14228e+02 20.351  0.9910 
1 1 1 14 7  7  o 12 2.16016e+02 4.28299e+00 2.24869e+02 64.981  4.85393e+00  1.04002e+01  0.00000e+00 0.00000e+00 3.07719e+02 64.981  8.28503e+01 64.981  0.9554 
1 1 1 14 7  8  o 6  3.39960e+02 3.69205e+00 4.64197e+02 300.929 1.90560e+01  -3.18030e+01 0.00000e+00 0.00000e+00 4.00638e+02 300.929 6.35589e+01 120.930 0.9864 
1 1 1 14 7  9  o 5  2.60746e+02 3.83106e+00 3.24561e+02 132.225 -1.41932e+01 1.56394e+01  0.00000e+00 0.00000e+00 3.31292e+02 132.225 6.73135e+00 132.225 0.9760 
1 1 1 14 7  10 o 7  2.99864e+02 3.73215e+00 3.10116e+02 213.033 -1.92779e+01 -1.25349e+01 0.00000e+00 0.00000e+00 4.45040e+02 213.033 1.34925e+02 213.033 0.9780 
1 1 1 14 7  11 o 1  2.82259e+02 3.88476e+00 3.54972e+02 166.963 -2.38800e+01 5.52946e+00  0.00000e+00 0.00000e+00 3.56204e+02 166.963 1.23235e+00 166.963 0.9794 
1 1 1 14 7  12 f 0  5.11475e+02 4.11809e+00 4.74650e+02 62.713  3.08181e+01  5.97432e+01  0.00000e+00 0.00000e+00 8.30062e+02 62.713  3.55412e+02 62.713  0.9925 
1 1 1 14 7  13 o 14 3.15307e+02 3.92490e+00 2.88250e+02 13.759  2.41706e+01  5.91873e+00  0.00000e+00 0.00000e+00 5.04802e+02 13.759  2.16552e+02 13.759  0.9797 
1 1 1 14 7  14 o 12 2.88532e+02 3.97591e+00 2.23705e+02 282.756 3.85271e+00  -1.70176e+01 0.00000e+00 0.00000e+00 4.94656e+02 282.756 2.70951e+02 282.756 0.9709 
1 1 1 14 7  15 o 16 2.67190e+02 4.39009e+00 2.91761e+02 284.091 5.37738e+00  -2.14226e+01 0.00000e+00 0.00000e+00 3.76865e+02 284.091 8.51037e+01 284.091 0.9771 
1 1 1 14 7  17 o 17 3.42592e+02 3.72723e+00 3.18596e+02 205.502 -3.19773e+01 -1.52537e+01 0.00000e+00 0.00000e+00 5.43961e+02 205.502 2.25366e+02 205.502 0.9858 
1 1 1 14 7  18 o 13 9.83525e+01 7.02070e+00 1.98038e+02 254.206 -1.67055e+00 -5.90610e+00 0.00000e+00 0.00000e+00 3.13219e+01 254.206 1.66716e+02 74.206  0.9144 
1 1 1 14 7  19 o 8  2.42181e+02 3.78791e+00 2.16799e+02 4.484   1.94381e+01  1.52449e+00  0.00000e+00 0.00000e+00 3.83799e+02 4.484   1.67000e+02 4.484   0.9740 
1 1 1 14 7  20 o 2  2.03102e+02 4.36836e+00 3.34845e+02 30.711  2.13150e+01  1.26613e+01  0.00000e+00 0.00000e+00 1.70886e+02 30.711  1.63959e+02 210.711 0.9796 
1 1 1 14 7  21 o 9  1.78088e+02 4.47414e+00 2.33586e+02 252.044 -4.40642e+00 -1.35969e+01 0.00000e+00 0.00000e+00 2.02180e+02 252.044 3.14055e+01 72.044  0.9644 
1 1 1 14 7  23 o 12 2.87419e+02 8.90144e+00 3.15817e+02 62.113  1.59180e+01  3.00804e+01  0.00000e+00 0.00000e+00 3.99950e+02 62.113  8.41329e+01 62.113  0.9852 
1 1 1 14 7  24 o 6  1.01266e+02 7.20876e+00 1.32910e+02 218.038 -4.33068e+00 -3.38815e+00 0.00000e+00 0.00000e+00 9.79699e+01 218.038 3.49397e+01 38.038  0.9038 
1 1 1 14 7  25 o 2  1.12279e+02 6.93362e+00 9.60032e+01 177.250 -5.00526e+00 2.40451e-01  0.00000e+00 0.00000e+00 1.56574e+02 177.250 6.05704e+01 177.250 0.8936 
1 1 1 14 7  26 o 10 1.97082e+02 5.21675e+00 1.97600e+02 342.742 1.72277e+01  -5.35200e+00 0.00000e+00 0.00000e+00 2.83500e+02 342.742 8.58996e+01 342.742 0.9719 
1 1 1 14 7  27 o 5  3.05118e+02 4.28322e+00 3.06167e+02 264.794 -3.86930e+00 -4.24709e+01 0.00000e+00 0.00000e+00 4.49447e+02 264.794 1.43281e+02 264.794 0.9882 
1 1 1 14 7  28 o 16 5.44007e+01 1.20439e+01 6.52349e+01 19.888  1.41836e+00  5.13113e-01  0.00000e+00 0.00000e+00 1.61220e+01 19.888  4.91129e+01 199.888 0.5982 
1 1 1 14 7  29 o 3  1.13116e+02 8.43656e+00 1.60786e+01 288.968 2.89560e-01  -8.42492e-01 0.00000e+00 0.00000e+00 9.85649e+01 288.968 8.24863e+01 288.968 0.4064 
1 1 1 14 7  30 o 7  3.96965e+01 1.13554e+01 4.20418e+01 261.994 -1.24172e-01 -8.82839e-01 0.00000e+00 0.00000e+00 1.88655e+00 81.994  4.39284e+01 81.994  0.4066 
1 1 1 14 7  31 o 15 2.31419e+02 4.25452e+00 2.31674e+02 116.008 -1.24561e+01 2.55295e+01  0.00000e+00 0.00000e+00 3.32296e+02 116.008 1.00622e+02 116.008 0.9822 
1 1 1 14 7  32 o 12 5.69648e+01 1.09890e+01 5.60220e+01 233.132 -1.23999e+00 -1.65344e+00 0.00000e+00 0.00000e+00 4.38320e+01 233.132 1.21900e+01 53.132  0.7084 
1 1 1 14 7  33 o 19 1.52135e+02 5.07842e+00 1.57847e+02 198.060 -1.64937e+01 -5.37833e+00 0.00000e+00 0.00000e+00 2.06548e+02 198.060 4.87012e+01 198.060 0.9707 
1 1 1 14 7  34 o 5  6.68850e+01 9.39746e+00 8.26105e+01 325.020 3.10002e+00  -2.16904e+00 0.00000e+00 0.00000e+00 5.80275e+01 325.020 2.45830e+01 145.020 0.8546 
1 1 1 14 7  35 o 19 1.44090e+02 5.07708e+00 1.90686e+02 348.750 1.95779e+01  -3.89434e+00 0.00000e+00 0.00000e+00 1.53792e+02 348.750 3.68934e+01 168.750 0.9746 
1 1 1 14 7  36 o 5  4.50950e+01 9.56639e+00 2.42558e+01 321.160 6.30164e-01  -5.07389e-01 0.00000e+00 0.00000e+00 1.70623e+01 321.160 7.19353e+00 141.160 0.3747 
1 1 1 14 7  37 o 9  9.25397e+01 6.92393e+00 1.32383e+02 242.716 -4.12933e+00 -8.00603e+00 0.00000e+00 0.00000e+00 8.02928e+01 242.716 5.20899e+01 62.716  0.9427 
1 1 1 14 7  38 o 6  5.06882e+01 1.01511e+01 7.54648e+01 184.056 -3.29397e+00 -2.33552e-01 0.00000e+00 0.00000e+00 2.67726e+01 184.056 4.86922e+01 4.056   0.8301 
1 1 1 14 7  39 o 1  6.55899e+01 8.60419e+00 1.51282e+02 166.624 -7.62136e+00 1.81229e+00  0.00000e+00 0.00000e+00 2.94829e+00 346.624 1.54231e+02 346.624 0.9338 
1 1 1 14 7  40 o 10 1.68536e+02 4.53317e+00 1.51723e+02 281.945 5.45185e+00  -2.57707e+01 0.00000e+00 0.00000e+00 2.47260e+02 281.945 9.55365e+01 281.945 0.9808 
1 1 1 14 7  41 o 6  4.26776e+01 1.06297e+01 1.29541e+02 186.546 -5.19608e+00 -5.96210e-01 0.00000e+00 0.00000e+00 3.73157e+01 6.546   1.66857e+02 6.546   0.8985 
1 1 1 14 7  42 o 19 5.89774e+01 9.97701e+00 8.97166e+01 292.178 2.14430e+00  -5.26022e+00 0.00000e+00 0.00000e+00 3.84963e+01 292.178 5.12203e+01 112.178 0.9071 
1 1 1 14 7  43 o 3  5.50348e+01 1.10340e+01 5.36964e+01 285.861 8.85933e-01  -3.11813e+00 0.00000e+00 0.00000e+00 5.49000e+01 285.861 1.20361e+00 285.861 0.8264 
1 1 1 14 7  44 o 6  3.37785e+01 1.38325e+01 5.44937e+01 123.997 -8.43680e-01 1.25095e+00  0.00000e+00 0.00000e+00 6.41580e+00 303.997 6.09095e+01 303.997 0.5983 
1 1 1 14 7  45 o 10 3.85639e+01 1.09540e+01 3.76635e+01 250.844 -5.93915e-01 -1.70975e+00 0.00000e+00 0.00000e+00 2.30146e+01 250.844 1.46489e+01 70.844  0.6640 
1 1 1 14 7  46 o 18 3.21386e+01 9.58291e+00 4.52325e+01 261.331 -2.69654e-01 -1.76860e+00 0.00000e+00 0.00000e+00 4.82962e+00 261.331 4.04029e+01 81.331  0.6599 
1 1 1 14 7  47 o 19 1.76160e+02 4.78205e+00 1.49164e+02 12.891  3.68026e+01  8.42281e+00  0.00000e+00 0.00000e+00 2.59471e+02 12.891  1.10308e+02 12.891  0.9867 
1 1 1 14 7  48 o 16 1.18560e+02 5.48693e+00 8.47711e+01 231.831 -1.03560e+01 -1.31750e+01 0.00000e+00 0.00000e+00 1.84412e+02 231.831 9.96412e+01 231.831 0.9697 
1 1 1 14 7  49 o 7  1.29443e+02 5.00326e+00 1.33617e+02 279.255 4.65029e+00  -2.85388e+01 0.00000e+00 0.00000e+00 1.62931e+02 279.255 2.93136e+01 279.255 0.9826 
1 1 1 14 7  50 o 17 4.00524e+01 1.06718e+01 7.93984e+01 106.695 -1.44071e+00 4.80364e+00  0.00000e+00 0.00000e+00 3.70957e+00 106.695 7.56888e+01 286.695 0.8937 
1 1 1 14 7  51 o 7  7.95908e+01 8.40378e+00 1.21772e+02 232.360 -9.90320e+00 -1.28412e+01 0.00000e+00 0.00000e+00 5.64446e+01 232.360 6.53275e+01 52.360  0.9687 
1 1 1 14 7  52 o 9  3.47313e+01 1.03206e+01 8.28029e+01 346.388 4.74045e+00  -1.14790e+00 0.00000e+00 0.00000e+00 1.16289e+01 166.388 9.44318e+01 166.388 0.8905 
1 1 1 14 7  53 o 11 7.07623e+01 9.33571e+00 5.87126e+01 97.098  -9.64664e-01 7.74701e+00  0.00000e+00 0.00000e+00 9.26313e+01 97.098  3.39186e+01 97.098  0.9336 
1 1 1 14 7  54 o 16 4.90644e+01 1.12518e+01 6.28532e+01 87.049  3.04304e-01  5.90296e+00  0.00000e+00 0.00000e+00 3.90704e+01 87.049  2.37828e+01 267.049 0.9110 
1 1 1 14 7  55 o 9  9.65404e+01 7.51562e+00 9.07922e+01 189.174 -1.92688e+01 -3.11182e+00 0.00000e+00 0.00000e+00 1.22638e+02 189.174 3.18459e+01 189.174 0.9740 
1 1 1 14 7  56 o 9  5.54728e+01 1.14888e+01 2.93062e+01 224.256 -2.41871e+00 -2.35666e+00 0.00000e+00 0.00000e+00 7.52507e+01 224.256 4.59445e+01 224.256 0.8344 
1 1 1 14 7  57 o 12 3.16702e+01 9.87315e+00 4.42043e+01 41.348  2.57705e+00  2.26782e+00  0.00000e+00 0.00000e+00 1.54193e+01 41.348  2.87850e+01 221.348 0.8375 
1 1 1 14 8  0  f 0  5.40267e+02 5.99413e+00 7.26210e+02 180.000 -4.87812e+01 0.00000e+00  0.00000e+00 0.00000e+00 6.73951e+02 180.000 5.22591e+01 0.000   1.0000 
1 1 1 14 8  1  o 14 1.79696e+02 4.71545e+00 2.46619e+02 320.380 8.47265e+00  -7.01415e+00 0.00000e+00 0.00000e+00 1.97359e+02 320.380 4.92598e+01 140.380 0.9534 
1 1 1 14 8  2  o 9  3.33605e+02 3.80272e+00 3.98869e+02 108.735 -1.06187e+01 3.13086e+01  0.00000e+00 0.00000e+00 4.52380e+02 108.735 5.35117e+01 108.735 0.9848 
1 1 1 14 8  3  o 16 2.46177e+02 3.99839e+00 3.12829e+02 275.281 1.75595e+00  -1.89962e+01 0.00000e+00 0.00000e+00 3.07971e+02 275.281 4.85788e+00 95.281  0.9734 
1 1 1 14 8  4  o 18 4.20617e+02 3.89470e+00 4.01928e+02 20.728  3.90439e+01  1.47753e+01  0.00000e+00 0.00000e+00 6.74268e+02 20.728  2.72340e+02 20.728  0.9879 
1 1 1 14 8  5  o 2  1.88347e+02 4.49542e+00 2.36795e+02 100.459 -1.98723e+00 1.07653e+01  0.00000e+00 0.00000e+00 2.27967e+02 100.459 8.82809e+00 280.459 0.9532 
1 1 1 14 8  6  o 6  1.59655e+02 5.09967e+00 9.88544e+01 252.886 -1.29557e+00 -4.20769e+00 0.00000e+00 0.00000e+00 2.63617e+02 252.886 1.64763e+02 252.886 0.8774 
1 1 1 14 8  7  o 15 1.20284e+02 6.41857e+00 2.13585e+02 78.406  1.42369e+00  6.93950e+00  0.00000e+00 0.00000e+00 7.46095e+01 78.406  1.38976e+02 258.406 0.9265 
1 1 1 14 8  8  o 14 2.67757e+02 4.09300e+00 1.82457e+02 321.223 1.05193e+01  -8.45097e+00 0.00000e+00 0.00000e+00 4.83395e+02 321.223 3.00938e+02 321.223 0.9622 
1 1 1 14 8  9  o 19 1.51359e+02 5.13951e+00 2.24655e+02 4.154   9.26092e+00  6.72616e-01  0.00000e+00 0.00000e+00 1.44549e+02 4.154   8.01057e+01 184.154 0.9445 
1 1 1 14 8  10 o 7  5.42092e+02 4.25871e+00 6.20759e+02 141.630 -7.16174e+01 5.67030e+01  0.00000e+00 0.00000e+00 7.70406e+02 141.630 1.49647e+02 141.630 0.9945 
1 1 1 14 8  11 o 11 1.62064e+02 4.94062e+00 2.50272e+02 106.188 -3.22583e+00 1.11117e+01  0.00000e+00 0.00000e+00 1.49063e+02 106.188 1.01210e+02 286.188 0.9558 
1 1 1 14 8  13 o 11 4.18018e+02 1.78099e+01 5.27746e+02 226.416 -3.83987e+01 -4.03453e+01 0.00000e+00 0.00000e+00 5.38023e+02 226.416 1.02775e+01 226.416 0.9910 
1 1 1 14 8  14 o 18 1.15594e+02 6.24747e+00 1.16653e+02 250.079 -1.48137e+00 -4.08750e+00 0.00000e+00 0.00000e+00 1.43467e+02 250.079 2.68136e+01 250.079 0.8757 
1 1 1 14 8  15 o 18 8.26274e+01 8.13474e+00 9.76017e+01 306.330 1.50459e+00  -2.04601e+00 0.00000e+00 0.00000e+00 6.55316e+01 306.330 3.20702e+01 126.330 0.7692 
1 1 1 14 8  16 o 1  3.66840e+02 3.96767e+00 4.57288e+02 157.039 -5.78327e+01 2.45026e+01  0.00000e+00 0.00000e+00 4.75460e+02 157.039 1.81728e+01 157.039 0.9920 
1 1 1 14 8  17 o 15 1.37356e+02 5.94094e+00 1.25572e+02 109.898 -2.14792e+00 5.93421e+00  0.00000e+00 0.00000e+00 1.96788e+02 109.898 7.12160e+01 109.898 0.9169 
1 1 1 14 8  18 o 10 2.42324e+02 4.15173e+00 3.20211e+02 295.885 1.18169e+01  -2.43521e+01 0.00000e+00 0.00000e+00 2.87530e+02 295.885 3.26805e+01 115.885 0.9814 
1 1 1 14 8  19 o 3  3.08288e+02 4.01269e+00 3.53388e+02 168.783 -3.67220e+01 7.28251e+00  0.00000e+00 0.00000e+00 4.22649e+02 168.783 6.92607e+01 168.783 0.9866 
1 1 1 14 8  21 o 16 4.83126e+01 1.23366e+01 1.90832e+02 5.901   3.62899e+00  3.75105e-01  0.00000e+00 0.00000e+00 8.65967e+01 185.901 2.77429e+02 185.901 0.8485 
1 1 1 14 8  22 o 10 2.96499e+02 4.05559e+00 2.43181e+02 2.628   3.00829e+01  1.38089e+00  0.00000e+00 0.00000e+00 4.96750e+02 2.628   2.53569e+02 2.628   0.9833 
1 1 1 14 8  23 o 10 1.79568e+02 4.92140e+00 2.07866e+02 300.324 8.93109e+00  -1.52692e+01 0.00000e+00 0.00000e+00 2.33953e+02 300.324 2.60875e+01 300.324 0.9713 
1 1 1 14 8  24 o 17 1.56526e+02 5.09912e+00 2.65089e+02 181.837 -1.93526e+01 -6.20728e-01 0.00000e+00 0.00000e+00 1.20253e+02 181.837 1.44836e+02 1.837   0.9738 
1 1 1 14 8  25 o 7  1.46727e+02 5.18601e+00 1.62657e+02 83.271  1.28083e+00  1.08552e+01  0.00000e+00 0.00000e+00 1.90126e+02 83.271  2.74692e+01 83.271  0.9531 
1 1 1 14 8  26 o 15 2.12416e+02 4.29170e+00 2.13245e+02 211.998 -1.76740e+01 -1.10431e+01 0.00000e+00 0.00000e+00 3.08441e+02 211.998 9.51959e+01 211.998 0.9757 
1 1 1 14 8  27 o 4  2.02682e+02 4.51896e+00 2.50323e+02 163.775 -2.48922e+01 7.24357e+00  0.00000e+00 0.00000e+00 2.48772e+02 163.775 1.55024e+00 343.775 0.9805 
1 1 1 14 8  28 f 0  1.43607e+02 5.02229e+00 1.63320e+02 94.523  -1.07378e+00 1.35753e+01  0.00000e+00 0.00000e+00 1.83003e+02 94.523  1.96822e+01 94.523  0.9626 
1 1 1 14 8  29 o 14 2.29006e+02 4.00804e+00 2.23290e+02 270.706 3.61274e-01  -2.93179e+01 0.00000e+00 0.00000e+00 3.39212e+02 270.706 1.15922e+02 270.706 0.9828 
1 1 1 14 8  30 o 14 4.15064e+01 1.14451e+01 5.26772e+01 12.509  1.04581e+00  2.32029e-01  0.00000e+00 0.00000e+00 3.93524e+00 192.509 5.66124e+01 192.509 0.4711 
1 1 1 14 8  31 o 10 1.73614e+02 4.76792e+00 2.17491e+02 39.368  2.04098e+01  1.67459e+01  0.00000e+00 0.00000e+00 2.05920e+02 39.368  1.15713e+01 219.368 0.9809 
1 1 1 14 8  32 o 11 1.72661e+02 5.05092e+00 1.71532e+02 323.294 1.70790e+01  -1.27333e+01 0.00000e+00 0.00000e+00 2.46429e+02 323.294 7.48970e+01 323.294 0.9762 
1 1 1 14 8  33 o 12 2.88848e+02 4.86101e+00 2.86940e+02 108.325 -1.88033e+01 5.67735e+01  0.00000e+00 0.00000e+00 4.21292e+02 108.325 1.34351e+02 108.325 0.9916 
1 1 1 14 8  34 o 17 5.67778e+01 1.10425e+01 9.12452e+01 281.627 6.96599e-01  -3.38535e+00 0.00000e+00 0.00000e+00 2.61749e+01 281.627 6.50703e+01 101.627 0.8388 
1 1 1 14 8  35 o 16 9.66641e+01 7.08522e+00 1.50425e+02 144.916 -9.12100e+00 6.40659e+00  0.00000e+00 0.00000e+00 7.62722e+01 144.916 7.41530e+01 324.916 0.9540 
1 1 1 14 8  36 o 18 1.22832e+02 5.92366e+00 1.15995e+02 135.386 -7.53261e+00 7.43188e+00  0.00000e+00 0.00000e+00 1.70432e+02 135.386 5.44365e+01 135.386 0.9515 
1 1 1 14 8  37 o 2  1.49063e+02 5.49666e+00 2.14571e+02 35.278  2.43900e+01  1.72550e+01  0.00000e+00 0.00000e+00 1.43440e+02 35.278  7.11308e+01 215.278 0.9831 
1 1 1 14 8  38 o 4  7.94595e+01 9.10732e+00 7.69339e+01 230.016 -3.07362e+00 -3.66509e+00 0.00000e+00 0.00000e+00 9.49068e+01 230.016 1.79729e+01 230.016 0.8881 
1 1 1 14 8  39 o 8  1.21772e+02 6.15934e+00 2.19794e+02 231.430 -1.76490e+01 -2.21325e+01 0.00000e+00 0.00000e+00 7.04804e+01 231.430 1.49314e+02 51.430  0.9822 
1 1 1 14 8  40 o 16 9.05582e+01 7.91705e+00 9.46344e+01 88.666  1.93512e-01  8.31265e+00  0.00000e+00 0.00000e+00 1.10777e+02 88.666  1.61429e+01 88.666  0.9378 
1 1 1 14 8  41 o 16 4.17989e+01 1.05753e+01 2.24345e+01 353.275 9.85194e-01  -1.16174e-01 0.00000e+00 0.00000e+00 2.22533e+01 353.275 1.81171e-01 173.275 0.4436 
1 1 1 14 8  42 o 12 5.36898e+01 1.22957e+01 7.24204e+01 319.779 3.13902e+00  -2.65464e+00 0.00000e+00 0.00000e+00 3.94622e+01 319.779 3.29582e+01 139.779 0.8677 
1 1 1 14 8  43 o 8  1.72614e+02 4.30196e+00 2.25263e+02 313.146 2.62916e+01  -2.80508e+01 0.00000e+00 0.00000e+00 1.82382e+02 313.146 4.28806e+01 133.146 0.9869 
1 1 1 14 8  44 o 15 6.38631e+01 8.94266e+00 7.51125e+01 2.684   6.36262e+00  2.98284e-01  0.00000e+00 0.00000e+00 6.46116e+01 2.684   1.05009e+01 182.684 0.9177 
1 1 1 14 8  45 f 0  1.37963e+02 5.11840e+00 1.99846e+02 190.774 -3.69904e+01 -7.03896e+00 0.00000e+00 0.00000e+00 1.23411e+02 190.774 7.64347e+01 10.774  0.9866 
1 1 1 14 8  46 o 1  1.28091e+02 5.11194e+00 1.28193e+02 160.917 -2.22723e+01 7.70498e+00  0.00000e+00 0.00000e+00 1.68310e+02 160.917 4.01172e+01 160.917 0.9785 
1 1 1 14 8  47 o 7  5.64770e+01 9.57923e+00 2.52923e+01 350.653 2.10515e+00  -3.46503e-01 0.00000e+00 0.00000e+00 7.03159e+01 350.653 4.50237e+01 350.653 0.7185 
1 1 1 14 8  48 o 4  9.59696e+01 7.54322e+00 1.34863e+02 273.445 1.22998e+00  -2.04304e+01 0.00000e+00 0.00000e+00 8.47496e+01 273.445 5.01137e+01 93.445  0.9753 
1 1 1 14 8  49 o 3  4.81144e+01 1.09237e+01 7.32074e+01 290.120 1.89884e+00  -5.18317e+00 0.00000e+00 0.00000e+00 2.84465e+01 290.120 4.47609e+01 110.120 0.9042 
1 1 1 14 8  50 f 0  3.30424e+01 9.74926e+00 3.85800e+01 283.239 4.68556e-01  -1.99163e+00 0.00000e+00 0.00000e+00 1.56337e+01 283.239 2.29463e+01 103.239 0.7052 
1 1 1 14 8  51 o 18 5.61545e+01 1.07094e+01 4.92737e+01 37.120  3.69883e+00  2.79946e+00  0.00000e+00 0.00000e+00 6.57564e+01 37.120  1.64827e+01 37.120  0.8843 
1 1 1 14 8  52 o 11 1.43952e+02 5.41845e+00 1.59625e+02 61.593  2.36185e+01  4.36692e+01  0.00000e+00 0.00000e+00 1.69008e+02 61.593  9.38294e+00 61.593  0.9899 
1 1 1 14 8  53 o 8  6.23699e+01 1.08287e+01 8.28454e+01 238.166 -5.35553e+00 -8.62631e+00 0.00000e+00 0.00000e+00 5.31013e+01 238.166 2.97440e+01 58.166  0.9494 
1 1 1 14 8  54 o 15 3.84577e+01 1.06674e+01 3.08031e+01 65.780  9.49772e-01  2.11139e+00  0.00000e+00 0.00000e+00 3.45237e+01 65.780  3.72065e+00 65.780  0.7433 
1 1 1 14 8  55 o 3  6.91709e+01 9.96055e+00 5.94187e+01 96.728  -1.08891e+00 9.23112e+00  0.00000e+00 0.00000e+00 8.91940e+01 96.728  2.97752e+01 96.728  0.9446 
1 1 1 14 8  56 o 18 9.84240e+01 7.54022e+00 1.00628e+02 291.225 9.96544e+00  -2.56595e+01 0.00000e+00 0.00000e+00 1.18089e+02 291.225 1.74602e+01 291.225 0.9817 
1 1 1 14 9  0  o 7  4.86273e+02 7.64728e+00 4.90585e+02 180.000 -3.43511e+01 0.00000e+00  0.00000e+00 0.00000e+00 7.72693e+02 180.000 2.82107e+02 180.000 1.0000 
1 1 1 14 9  1  o 3  3.73127e+02 3.79653e+00 4.63368e+02 292.871 1.94512e+01  -4.61113e+01 0.00000e+00 0.00000e+00 4.96195e+02 292.871 3.28271e+01 292.871 0.9900 
1 1 1 14 9  2  o 4  3.36017e+02 3.77574e+00 3.71801e+02 64.412  1.55975e+01  3.25718e+01  0.00000e+00 0.00000e+00 4.88809e+02 64.412  1.17007e+02 64.412  0.9861 
1 1 1 14 9  3  o 7  1.47488e+02 5.40354e+00 2.62194e+02 346.697 1.07926e+01  -2.55179e+00 0.00000e+00 0.00000e+00 1.03115e+02 346.697 1.59079e+02 166.697 0.9538 
1 1 1 14 9  4  o 9  1.99120e+02 5.08599e+00 3.05635e+02 229.133 -1.13966e+01 -1.31721e+01 0.00000e+00 0.00000e+00 1.96232e+02 229.133 1.09404e+02 49.133  0.9709 
1 1 1 14 9  5  o 13 3.29839e+02 2.12142e+01 2.63059e+02 143.454 -1.71736e+01 1.27289e+01  0.00000e+00 0.00000e+00 5.72632e+02 143.454 3.09573e+02 143.454 0.9763 
1 1 1 14 9  8  o 18 1.09668e+02 7.70406e+00 1.07172e+02 54.099  2.23798e+00  3.09157e+00  0.00000e+00 0.00000e+00 1.36057e+02 54.099  2.88842e+01 54.099  0.8561 
1 1 1 14 9  9  o 7  1.85811e+02 4.62991e+00 2.44119e+02 59.695  7.49682e+00  1.28267e+01  0.00000e+00 0.00000e+00 2.20429e+02 59.695  2.36906e+01 239.695 0.9657 
1 1 1 14 9  10 o 5  3.22418e+02 3.81362e+00 3.12249e+02 49.129  2.14610e+01  2.48004e+01  0.00000e+00 0.00000e+00 5.08934e+02 49.129  1.96685e+02 49.129  0.9846 
1 1 1 14 9  11 f 0  2.19472e+02 4.39961e+00 1.87480e+02 254.227 -3.60342e+00 -1.27568e+01 0.00000e+00 0.00000e+00 3.57882e+02 254.227 1.70402e+02 254.227 0.9615 
1 1 1 14 9  12 o 11 2.21665e+02 4.13534e+00 2.15802e+02 89.137  2.71627e-01  1.80245e+01  0.00000e+00 0.00000e+00 3.40383e+02 89.137  1.24581e+02 89.137  0.9719 
1 1 1 14 9  13 o 6  2.48766e+02 3.91983e+00 3.15448e+02 166.747 -2.85081e+01 6.71455e+00  0.00000e+00 0.00000e+00 3.15071e+02 166.747 3.76935e-01 346.747 0.9828 
1 1 1 14 9  14 f 0  4.85535e+02 4.07138e+00 5.28357e+02 292.871 3.52773e+01  -8.36313e+01 0.00000e+00 0.00000e+00 7.15474e+02 292.871 1.87117e+02 292.871 0.9945 
1 1 1 14 9  15 o 5  3.91673e+02 3.82299e+00 3.73527e+02 355.645 5.10311e+01  -3.88614e+00 0.00000e+00 0.00000e+00 6.24270e+02 355.645 2.50743e+02 355.645 0.9902 
1 1 1 14 9  16 o 10 2.61393e+02 4.36393e+00 3.69984e+02 214.254 -2.75488e+01 -1.87600e+01 0.00000e+00 0.00000e+00 2.91472e+02 214.254 7.85111e+01 34.254  0.9849 
1 1 1 14 9  18 f 0  4.50412e+02 5.15779e+00 3.11257e+02 178.350 -5.44804e+01 1.56906e+00  0.00000e+00 0.00000e+00 8.31983e+02 178.350 5.20726e+02 178.350 0.9908 
1 1 1 14 9  19 o 2  2.22501e+02 4.50080e+00 2.22854e+02 198.987 -1.97662e+01 -6.80122e+00 0.00000e+00 0.00000e+00 3.32461e+02 198.987 1.09607e+02 198.987 0.9758 
1 1 1 14 9  20 o 11 2.42747e+02 4.11236e+00 3.23986e+02 163.740 -3.64157e+01 1.06214e+01  0.00000e+00 0.00000e+00 2.87628e+02 163.740 3.63578e+01 343.740 0.9867 
1 1 1 14 9  21 o 4  2.50670e+02 4.19026e+00 2.96980e+02 111.571 -1.30036e+01 3.28917e+01  0.00000e+00 0.00000e+00 3.32861e+02 111.571 3.58810e+01 111.571 0.9858 
1 1 1 14 9  22 o 13 1.95004e+02 4.91484e+00 2.79264e+02 315.076 1.80047e+01  -1.79569e+01 0.00000e+00 0.00000e+00 2.07009e+02 315.076 7.22544e+01 135.076 0.9801 
1 1 1 14 9  23 o 1  2.00740e+02 4.62038e+00 2.68726e+02 47.067  1.72171e+01  1.85066e+01  0.00000e+00 0.00000e+00 2.30819e+02 47.067  3.79072e+01 227.067 0.9800 
1 1 1 14 9  24 o 14 1.80526e+02 4.96248e+00 2.56555e+02 324.306 1.72892e+01  -1.24209e+01 0.00000e+00 0.00000e+00 1.90043e+02 324.306 6.65117e+01 144.306 0.9762 
1 1 1 14 9  25 o 2  1.70877e+02 5.32427e+00 1.71809e+02 98.826  -2.29961e+00 1.48109e+01  0.00000e+00 0.00000e+00 2.45627e+02 98.826  7.38186e+01 98.826  0.9660 
1 1 1 14 9  26 o 1  4.76554e+01 1.19195e+01 1.14347e+02 317.648 2.16501e+00  -1.97361e+00 0.00000e+00 0.00000e+00 1.75927e+01 137.648 1.31939e+02 137.648 0.8046 
1 1 1 14 9  27 o 14 1.39863e+02 5.51872e+00 1.77291e+02 149.414 -1.21990e+01 7.21056e+00  0.00000e+00 0.00000e+00 1.62148e+02 149.414 1.51436e+01 329.414 0.9640 
1 1 1 14 9  28 o 6  1.08824e+02 6.57424e+00 7.97211e+01 2.668   4.52326e+00  2.10799e-01  0.00000e+00 0.00000e+00 1.61107e+02 2.668   8.13855e+01 2.668   0.8812 
1 1 1 14 9  29 o 19 2.77184e+02 3.98812e+00 2.71889e+02 139.370 -4.06151e+01 3.48486e+01  0.00000e+00 0.00000e+00 4.16026e+02 139.370 1.44137e+02 139.370 0.9906 
1 1 1 14 9  30 o 9  3.62909e+01 1.06683e+01 1.10366e+02 135.315 -1.91659e+00 1.89564e+00  0.00000e+00 0.00000e+00 3.92016e+01 315.315 1.49568e+02 315.315 0.7847 
1 1 1 14 9  31 o 9  6.12917e+01 1.05366e+01 1.28006e+02 29.679  4.61046e+00  2.62751e+00  0.00000e+00 0.00000e+00 9.48678e+00 29.679  1.18519e+02 209.679 0.9000 
1 1 1 14 9  32 o 14 1.53808e+02 5.25198e+00 2.22568e+02 204.878 -2.27526e+01 -1.05506e+01 0.00000e+00 0.00000e+00 1.52040e+02 204.878 7.05278e+01 24.878  0.9799 
1 1 1 14 9  33 o 10 9.92114e+01 7.49993e+00 1.18928e+02 45.485  6.39042e+00  6.49955e+00  0.00000e+00 0.00000e+00 1.13074e+02 45.485  5.85449e+00 225.485 0.9434 
1 1 1 14 9  34 o 9  2.32708e+02 4.26590e+00 2.91500e+02 97.766  -7.02119e+00 5.14825e+01  0.00000e+00 0.00000e+00 2.78077e+02 97.766  1.34231e+01 277.766 0.9903 
1 1 1 14 9  35 o 12 7.89243e+01 8.86747e+00 1.00604e+02 177.730 -7.12406e+00 2.82427e-01  0.00000e+00 0.00000e+00 7.96722e+01 177.730 2.09315e+01 357.730 0.9270 
1 1 1 14 9  36 o 3  1.07356e+02 6.36630e+00 1.30403e+02 41.943  8.63440e+00  7.75883e+00  0.00000e+00 0.00000e+00 1.21703e+02 41.943  8.69986e+00 221.943 0.9559 
1 1 1 14 9  37 o 3  1.82855e+02 4.86552e+00 2.07219e+02 98.184  -5.63731e+00 3.91958e+01  0.00000e+00 0.00000e+00 2.34884e+02 98.184  2.76651e+01 98.184  0.9873 
1 1 1 14 9  38 o 8  8.02430e+01 8.72547e+00 5.39114e+01 299.102 2.11489e+00  -3.79937e+00 0.00000e+00 0.00000e+00 1.17614e+02 299.102 6.37023e+01 299.102 0.8757 
1 1 1 14 9  39 o 17 6.67490e+01 9.58177e+00 8.70406e+01 292.534 2.08363e+00  -5.02182e+00 0.00000e+00 0.00000e+00 5.95387e+01 292.534 2.75019e+01 112.534 0.9026 
1 1 1 14 9  40 o 17 6.59435e+01 9.21011e+00 1.18099e+02 263.734 -9.29687e-01 -8.46726e+00 0.00000e+00 0.00000e+00 3.20882e+01 263.734 8.60106e+01 83.734  0.9393 
1 1 1 14 9  42 o 10 3.22437e+01 1.00950e+01 3.52428e+01 78.602  2.84987e-01  1.41359e+00  0.00000e+00 0.00000e+00 9.89561e+00 78.602  2.53472e+01 258.602 0.5815 
1 1 1 14 9  43 o 7  4.40740e+01 1.04644e+01 7.66202e+01 82.820  5.35241e-01  4.24861e+00  0.00000e+00 0.00000e+00 1.57334e+01 82.820  6.08868e+01 262.820 0.8736 
1 1 1 14 9  44 o 5  1.15205e+02 5.85870e+00 1.76394e+02 150.469 -2.38547e+01 1.35133e+01  0.00000e+00 0.00000e+00 9.38459e+01 150.469 8.25482e+01 330.469 0.9816 
1 1 1 14 9  45 f 0  1.51815e+02 5.23844e+00 1.45800e+02 46.185  2.30817e+01  2.40564e+01  0.00000e+00 0.00000e+00 2.10145e+02 46.185  6.43445e+01 46.185  0.9849 
1 1 1 14 9  46 o 8  1.12993e+02 5.96963e+00 1.36442e+02 6.518   2.54329e+01  2.90586e+00  0.00000e+00 0.00000e+00 1.26205e+02 6.518   1.02371e+01 186.518 0.9803 
1 1 1 14 9  47 o 9  7.40208e+01 1.07828e+01 7.58590e+01 0.853   8.00695e+00  1.19248e-01  0.00000e+00 0.00000e+00 8.76494e+01 0.853   1.17904e+01 0.853   0.9353 
1 1 1 14 9  48 o 9  2.59633e+01 8.65483e+00 3.94567e+01 18.495  1.66076e+00  5.55507e-01  0.00000e+00 0.00000e+00 3.83182e-01 18.495  3.90736e+01 198.495 0.6524 
1 1 1 14 9  49 o 2  3.50679e+01 1.00146e+01 4.50345e+01 131.153 -1.65533e+00 1.89400e+00  0.00000e+00 0.00000e+00 1.79382e+01 131.153 2.70962e+01 311.153 0.7667 
1 1 1 14 9  50 o 1  1.03948e+02 6.45738e+00 1.18055e+02 325.236 1.97633e+01  -1.37176e+01 0.00000e+00 0.00000e+00 1.19287e+02 325.236 1.23206e+00 325.236 0.9790 
1 1 1 14 9  51 o 17 4.19197e+01 1.05360e+01 5.34538e+01 159.379 -3.77425e+00 1.42019e+00  0.00000e+00 0.00000e+00 3.07258e+01 159.379 2.27279e+01 339.379 0.8648 
1 1 1 14 9  52 o 2  4.25633e+01 1.09533e+01 6.59901e+01 282.889 1.22642e+00  -5.35961e+00 0.00000e+00 0.00000e+00 2.29424e+01 282.889 4.30477e+01 102.889 0.9038 
1 1 1 14 9  53 o 15 4.84242e+01 1.10469e+01 6.41556e+01 344.271 5.75351e+00  -1.62034e+00 0.00000e+00 0.00000e+00 3.74819e+01 344.271 2.66737e+01 164.271 0.9120 
1 1 1 14 9  54 f 0  7.75850e+01 9.05848e+00 6.96300e+01 256.581 -2.97677e+00 -1.24767e+01 0.00000e+00 0.00000e+00 1.01027e+02 256.581 3.13974e+01 256.581 0.9602 
1 1 1 14 9  55 o 3  4.15439e+01 1.04782e+01 3.67520e+01 240.992 -1.76895e+00 -3.19026e+00 0.00000e+00 0.00000e+00 4.36174e+01 240.992 6.86536e+00 240.992 0.8485 
1 1 1 14 10 0  o 5  5.59125e+02 6.13856e+00 6.10451e+02 0.000   6.52852e+01  0.00000e+00  0.00000e+00 0.00000e+00 8.46017e+02 0.000   2.35566e+02 0.000   1.0000 
1 1 1 14 10 1  o 11 1.51891e+02 5.38912e+00 1.82120e+02 49.093  6.89164e+00  7.95390e+00  0.00000e+00 0.00000e+00 1.94230e+02 49.093  1.21104e+01 49.093  0.9512 
1 1 1 14 10 2  o 15 2.31248e+02 4.16776e+00 2.51497e+02 125.782 -1.29961e+01 1.80315e+01  0.00000e+00 0.00000e+00 3.37070e+02 125.782 8.55734e+01 125.782 0.9772 
1 1 1 14 10 3  o 6  2.93216e+02 3.87849e+00 3.98828e+02 261.402 -6.67564e+00 -4.41486e+01 0.00000e+00 0.00000e+00 3.56076e+02 261.402 4.27521e+01 81.402  0.9887 
1 1 1 14 10 4  o 18 1.61136e+02 5.11546e+00 1.82342e+02 145.652 -9.18424e+00 6.27645e+00  0.00000e+00 0.00000e+00 2.17790e+02 145.652 3.54483e+01 145.652 0.9539 
1 1 1 14 10 5  o 9  1.30637e+02 6.22563e+00 1.28510e+02 157.782 -5.82599e+00 2.37973e+00  0.00000e+00 0.00000e+00 1.83100e+02 157.782 5.45897e+01 157.782 0.9167 
1 1 1 14 10 6  o 2  2.35051e+02 4.04587e+00 3.36446e+02 241.450 -1.42586e+01 -2.62063e+01 0.00000e+00 0.00000e+00 2.64554e+02 241.450 7.18919e+01 61.450  0.9831 
1 1 1 14 10 7  o 6  5.25654e+02 4.38586e+00 5.03068e+02 320.492 7.64455e+01  -6.30355e+01 0.00000e+00 0.00000e+00 8.56405e+02 320.492 3.53337e+02 320.492 0.9949 
1 1 1 14 10 8  o 2  2.04615e+02 4.46125e+00 1.59306e+02 221.017 -9.15522e+00 -7.96315e+00 0.00000e+00 0.00000e+00 3.49830e+02 221.017 1.90524e+02 221.017 0.9579 
1 1 1 14 10 9  o 7  1.71617e+02 4.80102e+00 2.02123e+02 268.744 -2.69085e-01 -1.22784e+01 0.00000e+00 0.00000e+00 2.24823e+02 268.744 2.26994e+01 268.744 0.9584 
1 1 1 14 10 10 o 4  1.66255e+02 4.99387e+00 2.55502e+02 221.066 -1.12393e+01 -9.79307e+00 0.00000e+00 0.00000e+00 1.60987e+02 221.066 9.45156e+01 41.066  0.9659 
1 1 1 14 10 11 o 12 8.30091e+01 1.01492e+01 1.05265e+02 24.625  2.66935e+00  1.22354e+00  0.00000e+00 0.00000e+00 6.79315e+01 24.625  3.73335e+01 204.625 0.8052 
1 1 1 14 10 14 o 15 3.14133e+02 1.12739e+01 4.10692e+02 23.981  4.39986e+01  1.95716e+01  0.00000e+00 0.00000e+00 3.92235e+02 23.981  1.84570e+01 203.981 0.9896 
1 1 1 14 10 15 o 19 4.10782e+01 1.17651e+01 1.62764e+02 201.631 -2.49009e+00 -9.87474e-01 0.00000e+00 0.00000e+00 7.97759e+01 21.631  2.42540e+02 21.631  0.7831 
1 1 1 14 10 16 o 7  7.67998e+01 9.44724e+00 1.88428e+02 57.604  3.15078e+00  4.96561e+00  0.00000e+00 0.00000e+00 8.28342e+00 237.604 1.96711e+02 237.604 0.9105 
1 1 1 14 10 17 o 13 3.27582e+02 3.89556e+00 3.68577e+02 216.679 -4.68870e+01 -3.49215e+01 0.00000e+00 0.00000e+00 4.66931e+02 216.679 9.83548e+01 216.679 0.9914 
1 1 1 14 10 18 o 18 1.21883e+02 5.89490e+00 8.00273e+01 219.729 -3.54453e+00 -2.94574e+00 0.00000e+00 0.00000e+00 1.96567e+02 219.729 1.16540e+02 219.729 0.8834 
1 1 1 14 10 19 o 5  1.21927e+02 6.10575e+00 2.05450e+02 56.558  6.44062e+00  9.75222e+00  0.00000e+00 0.00000e+00 9.35580e+01 56.558  1.11892e+02 236.558 0.9562 
1 1 1 14 10 20 o 9  2.64768e+02 3.95809e+00 3.81347e+02 288.550 1.49642e+01  -4.45925e+01 0.00000e+00 0.00000e+00 2.89304e+02 288.550 9.20429e+01 108.551 0.9893 
1 1 1 14 10 21 o 10 3.99353e+02 3.96883e+00 4.42733e+02 11.071  8.11016e+01  1.58687e+01  0.00000e+00 0.00000e+00 5.71747e+02 11.071  1.29013e+02 11.071  0.9939 
1 1 1 14 10 22 o 11 4.65862e+01 1.08026e+01 5.43226e+01 135.291 -8.79188e-01 8.70306e-01  0.00000e+00 0.00000e+00 7.96669e+00 135.291 4.63559e+01 315.291 0.5241 
1 1 1 14 10 23 f 0  2.17198e+02 4.24319e+00 1.93097e+02 300.543 1.09305e+01  -1.85243e+01 0.00000e+00 0.00000e+00 3.46906e+02 300.543 1.53809e+02 300.543 0.9765 
1 1 1 14 10 24 o 19 8.91847e+01 7.61589e+00 1.51260e+02 51.877  4.74425e+00  6.04552e+00  0.00000e+00 0.00000e+00 6.00518e+01 51.877  9.12079e+01 231.877 0.9325 
1 1 1 14 10 25 o 17 4.64368e+02 4.42861e+00 4.51359e+02 167.453 -1.10603e+02 2.46147e+01  0.00000e+00 0.00000e+00 7.20892e+02 167.453 2.69534e+02 167.453 0.9956 
1 1 1 14 10 26 o 10 1.27664e+02 6.16533e+00 1.31266e+02 339.318 1.11385e+01  -4.20485e+00 0.00000e+00 0.00000e+00 1.77851e+02 339.318 4.65849e+01 339.318 0.9570 
1 1 1 14 10 27 o 3  1.29639e+02 6.28780e+00 8.85875e+01 270.646 9.04265e-02  -8.01433e+00 0.00000e+00 0.00000e+00 2.17502e+02 270.646 1.28915e+02 270.646 0.9354 
1 1 1 14 10 28 o 7  2.76802e+02 4.85322e+00 3.07250e+02 227.323 -4.21920e+01 -4.57593e+01 0.00000e+00 0.00000e+00 3.84193e+02 227.323 7.69429e+01 227.323 0.9919 
1 1 1 14 10 29 o 10 9.39623e+01 9.59286e+00 3.93868e+01 236.370 -1.41642e+00 -2.12944e+00 0.00000e+00 0.00000e+00 1.42627e+02 236.370 1.03241e+02 236.370 0.7711 
1 1 1 14 10 30 o 15 2.49136e+02 4.43820e+00 2.52413e+02 88.135  1.52130e+00  4.67262e+01  0.00000e+00 0.00000e+00 3.65135e+02 88.135  1.12722e+02 88.135  0.9892 
1 1 1 14 10 31 o 1  1.26446e+02 6.36268e+00 1.86556e+02 144.511 -1.51901e+01 1.08308e+01  0.00000e+00 0.00000e+00 1.20858e+02 144.511 6.56971e+01 324.511 0.9728 
1 1 1 14 10 32 o 18 1.39417e+02 5.90327e+00 9.85085e+01 126.010 -6.14730e+00 8.45800e+00  0.00000e+00 0.00000e+00 2.31908e+02 126.010 1.33399e+02 126.010 0.9509 
1 1 1 14 10 33 o 6  5.23057e+01 1.09195e+01 3.73538e+01 113.597 -6.77952e-01 1.55202e+00  0.00000e+00 0.00000e+00 4.59085e+01 113.597 8.55473e+00 113.597 0.6405 
1 1 1 14 10 34 o 2  1.92853e+02 4.13564e+00 1.96804e+02 137.560 -2.40825e+01 2.20210e+01  0.00000e+00 0.00000e+00 2.73741e+02 137.560 7.69371e+01 137.560 0.9846 
1 1 1 14 10 35 o 10 5.99488e+01 9.40806e+00 5.34173e+01 32.841  2.62521e+00  1.69449e+00  0.00000e+00 0.00000e+00 6.78645e+01 32.841  1.44472e+01 32.841  0.8188 
1 1 1 14 10 36 o 19 1.58542e+02 4.57802e+00 1.46642e+02 52.809  1.53642e+01  2.02483e+01  0.00000e+00 0.00000e+00 2.36130e+02 52.809  8.94879e+01 52.809  0.9801 
1 1 1 14 10 37 o 4  9.70017e+01 6.25893e+00 1.20862e+02 318.081 8.81085e+00  -7.91071e+00 0.00000e+00 0.00000e+00 1.07037e+02 318.081 1.38247e+01 138.081 0.9568 
1 1 1 14 10 38 o 7  1.00916e+02 5.98572e+00 1.01218e+02 355.698 1.20962e+01  -9.09828e-01 0.00000e+00 0.00000e+00 1.35372e+02 355.698 3.41541e+01 355.698 0.9579 
1 1 1 14 10 39 o 11 9.39292e+01 7.06545e+00 1.30404e+02 91.556  -4.09548e-01 1.50726e+01  0.00000e+00 0.00000e+00 9.10009e+01 91.556  3.94027e+01 271.556 0.9662 
1 1 1 14 10 40 o 8  7.89037e+01 1.06455e+01 1.04868e+02 159.307 -6.98111e+00 2.63691e+00  0.00000e+00 0.00000e+00 7.36023e+01 159.307 3.12656e+01 339.307 0.9304 
1 1 1 14 10 41 o 13 4.98514e+01 1.13836e+01 9.27859e+01 69.447  1.96992e+00  5.25395e+00  0.00000e+00 0.00000e+00 1.66192e+01 69.447  7.61667e+01 249.447 0.9059 
1 1 1 14 10 42 o 17 1.14014e+02 6.78005e+00 1.37947e+02 189.562 -2.09108e+01 -3.52243e+00 0.00000e+00 0.00000e+00 1.30717e+02 189.562 7.23062e+00 9.562   0.9761 
1 1 1 14 10 43 o 11 8.99313e+01 8.16835e+00 1.30685e+02 274.897 1.37236e+00  -1.60192e+01 0.00000e+00 0.00000e+00 7.87801e+01 274.897 5.19045e+01 94.897  0.9684 
1 1 1 14 10 44 o 9  8.76702e+01 9.22564e+00 1.09644e+02 335.889 1.19539e+01  -5.34994e+00 0.00000e+00 0.00000e+00 9.22437e+01 335.889 1.74007e+01 155.889 0.9610 
1 1 1 14 10 45 o 12 3.70793e+01 1.10024e+01 2.16255e+01 39.633  8.87682e-01  7.35213e-01  0.00000e+00 0.00000e+00 2.24392e+01 39.633  8.13678e-01 39.633  0.4979 
1 1 1 14 10 46 o 11 1.86004e+02 5.21213e+00 2.29900e+02 308.654 4.41620e+01  -5.52134e+01 0.00000e+00 0.00000e+00 2.09216e+02 308.654 2.06836e+01 128.654 0.9929 
1 1 1 14 10 47 o 13 4.12673e+01 1.08124e+01 3.67526e+01 147.141 -2.00661e+00 1.29610e+00  0.00000e+00 0.00000e+00 3.67713e+01 147.141 1.86868e-02 147.141 0.7523 
1 1 1 14 10 48 o 10 2.79828e+01 9.12559e+00 5.97716e+01 186.834 -2.76225e+00 -3.31038e-01 0.00000e+00 0.00000e+00 7.47079e+00 6.834   6.72424e+01 6.834   0.7925 
1 1 1 14 10 49 o 3  6.45777e+01 1.01370e+01 7.79730e+01 330.239 7.52085e+00  -4.30045e+00 0.00000e+00 0.00000e+00 6.46526e+01 330.239 1.33204e+01 150.239 0.9404 
1 1 1 14 10 50 o 16 6.86856e+01 9.58882e+00 7.47262e+01 119.428 -4.98263e+00 8.83281e+00  0.00000e+00 0.00000e+00 7.77642e+01 119.428 3.03797e+00 119.428 0.9493 
1 1 1 14 10 51 f 0  3.02697e+01 9.66336e+00 2.77990e+01 66.868  6.89068e-01  1.61297e+00  0.00000e+00 0.00000e+00 1.82213e+01 66.868  9.57771e+00 246.868 0.6529 
1 1 1 14 10 52 o 17 9.85120e+01 7.08258e+00 9.65794e+01 334.474 2.17604e+01  -1.03914e+01 0.00000e+00 0.00000e+00 1.26996e+02 334.474 3.04167e+01 334.474 0.9790 
1 1 1 14 10 53 o 16 3.53968e+01 1.05382e+01 3.44216e+01 176.894 -2.68003e+00 1.45403e-01  0.00000e+00 0.00000e+00 2.95860e+01 176.894 4.83564e+00 356.894 0.7836 
1 1 1 14 10 54 o 10 4.71899e+01 1.16652e+01 6.66168e+01 146.732 -5.86281e+00 3.84653e+00  0.00000e+00 0.00000e+00 3.37212e+01 146.732 3.28956e+01 326.731 0.9257 
1 1 1 14 11 8  o 2  1.35254e+02 6.49571e+00 2.09758e+02 183.679 -1.21442e+01 -7.80846e-01 0.00000e+00 0.00000e+00 1.27839e+02 183.679 8.19193e+01 3.679   0.9580 
1 1 1 14 11 9  o 4  1.89517e+02 5.50123e+00 2.03504e+02 260.721 -2.66782e+00 -1.63282e+01 0.00000e+00 0.00000e+00 2.74767e+02 260.721 7.12629e+01 260.721 0.9693 
1 1 1 14 11 10 o 17 1.20798e+02 5.78234e+00 1.75411e+02 85.371  7.27000e-01  8.97817e+00  0.00000e+00 0.00000e+00 1.20846e+02 85.371  5.45650e+01 265.371 0.9427 
1 1 1 14 11 11 o 12 2.04902e+02 4.18505e+00 3.25509e+02 69.957  9.72452e+00  2.66549e+01  0.00000e+00 0.00000e+00 1.97580e+02 69.957  1.27929e+02 249.956 0.9822 
1 1 1 14 11 12 o 2  2.17506e+02 4.08988e+00 2.57951e+02 122.620 -1.47945e+01 2.31154e+01  0.00000e+00 0.00000e+00 2.96419e+02 122.620 3.84677e+01 122.620 0.9816 
1 1 1 14 11 13 o 6  1.08857e+02 6.17925e+00 4.32248e+01 60.485  1.10883e+00  1.95867e+00  0.00000e+00 0.00000e+00 1.64281e+02 60.485  1.21057e+02 60.485  0.7349 
1 1 1 14 11 14 o 3  5.96637e+01 1.07240e+01 1.49112e+02 122.563 -2.16675e+00 3.39284e+00  0.00000e+00 0.00000e+00 1.54858e+01 302.563 1.64598e+02 302.563 0.8645 
1 1 1 14 11 15 f 0  1.88611e+02 4.28846e+00 1.53068e+02 169.151 -1.34854e+01 2.58432e+00  0.00000e+00 0.00000e+00 3.16833e+02 169.151 1.63765e+02 169.151 0.9629 
1 1 1 14 11 16 o 18 2.94615e+02 3.62156e+00 3.39701e+02 271.014 8.35090e-01  -4.71977e+01 0.00000e+00 0.00000e+00 4.13475e+02 271.014 7.37737e+01 271.014 0.9894 
1 1 1 14 11 17 o 10 1.62067e+02 4.84260e+00 3.29134e+02 158.438 -2.33993e+01 9.24663e+00  0.00000e+00 0.00000e+00 8.06539e+01 158.438 2.48480e+02 338.438 0.9799 
1 1 1 14 11 18 o 19 2.51158e+02 4.03893e+00 2.36313e+02 304.310 1.56456e+01  -2.29272e+01 0.00000e+00 0.00000e+00 3.99012e+02 304.310 1.62698e+02 304.310 0.9818 
1 1 1 14 11 19 o 13 8.32043e+01 8.81673e+00 9.81473e+01 165.305 -3.96920e+00 1.04094e+00  0.00000e+00 0.00000e+00 8.74974e+01 165.305 1.06499e+01 345.305 0.8674 
1 1 1 14 11 20 o 11 1.65716e+02 5.25753e+00 2.30439e+02 288.918 7.36562e+00  -2.14912e+01 0.00000e+00 0.00000e+00 1.85646e+02 288.918 4.47933e+01 108.918 0.9777 
1 1 1 14 11 21 o 17 1.37838e+02 5.92856e+00 1.63822e+02 285.556 3.53369e+00  -1.26938e+01 0.00000e+00 0.00000e+00 1.75836e+02 285.556 1.20142e+01 285.556 0.9613 
1 1 1 14 11 22 o 18 1.16274e+02 6.84352e+00 1.56590e+02 318.800 7.33798e+00  -6.42393e+00 0.00000e+00 0.00000e+00 1.25228e+02 318.800 3.13629e+01 138.800 0.9473 
1 1 1 14 11 23 o 3  1.20666e+02 6.53553e+00 1.65379e+02 309.976 6.78273e+00  -8.09024e+00 0.00000e+00 0.00000e+00 1.27792e+02 309.976 3.75868e+01 129.976 0.9514 
1 1 1 14 11 24 f 0  2.44179e+02 4.10146e+00 2.43997e+02 107.020 -1.25857e+01 4.11136e+01  0.00000e+00 0.00000e+00 3.71033e+02 107.020 1.27036e+02 107.020 0.9883 
1 1 1 14 11 25 o 11 1.57737e+02 4.97859e+00 1.56144e+02 214.323 -1.50949e+01 -1.03058e+01 0.00000e+00 0.00000e+00 2.33879e+02 214.323 7.77356e+01 214.323 0.9722 
1 1 1 14 11 26 o 14 1.43780e+02 5.11437e+00 1.28534e+02 186.010 -1.36969e+01 -1.44212e+00 0.00000e+00 0.00000e+00 2.22817e+02 186.010 9.42830e+01 186.010 0.9630 
1 1 1 14 11 27 o 3  9.93406e+01 6.92037e+00 1.48906e+02 163.849 -1.02132e+01 2.95780e+00  0.00000e+00 0.00000e+00 9.04697e+01 163.849 5.84361e+01 343.849 0.9517 
1 1 1 14 11 28 o 11 7.96353e+01 8.05645e+00 1.27963e+02 327.405 6.13381e+00  -3.92191e+00 0.00000e+00 0.00000e+00 5.88064e+01 327.405 6.91567e+01 147.405 0.9285 
1 1 1 14 11 29 o 14 2.64955e+02 4.23112e+00 2.94348e+02 22.384  5.85119e+01  2.40974e+01  0.00000e+00 0.00000e+00 3.67940e+02 22.384  7.35920e+01 22.384  0.9921 
1 1 1 14 11 30 o 11 5.91279e+01 9.95756e+00 3.66610e+01 313.987 1.08392e+00  -1.12292e+00 0.00000e+00 0.00000e+00 5.41023e+01 313.987 1.74414e+01 313.987 0.6108 
1 1 1 14 11 31 o 15 4.59880e+01 1.10793e+01 6.91890e+01 21.418  2.56832e+00  1.00744e+00  0.00000e+00 0.00000e+00 2.19285e+01 21.418  4.72605e+01 201.418 0.7904 
1 1 1 14 11 32 o 17 1.47523e+02 4.90220e+00 1.65682e+02 115.815 -9.14500e+00 1.89044e+01  0.00000e+00 0.00000e+00 1.94205e+02 115.815 2.85236e+01 115.815 0.9759 
1 1 1 14 11 33 o 5  1.24313e+02 5.44046e+00 1.22283e+02 341.435 1.52510e+01  -5.12210e+00 0.00000e+00 0.00000e+00 1.77812e+02 341.435 5.55297e+01 341.435 0.9684 
1 1 1 14 11 34 o 19 9.57508e+01 6.51227e+00 1.03360e+02 319.706 8.08856e+00  -6.85813e+00 0.00000e+00 0.00000e+00 1.23123e+02 319.706 1.97632e+01 319.706 0.9516 
1 1 1 14 11 35 o 12 6.31492e+01 1.02621e+01 6.65791e+01 108.700 -1.26856e+00 3.74781e+00  0.00000e+00 0.00000e+00 6.82959e+01 108.700 1.71675e+00 108.700 0.8618 
1 1 1 14 11 36 o 9  6.19860e+01 1.04581e+01 1.97203e+01 62.869  6.03191e-01  1.17717e+00  0.00000e+00 0.00000e+00 6.43798e+01 62.869  4.46595e+01 62.869  0.5492 
1 1 1 14 11 37 o 18 3.13980e+01 9.51645e+00 7.45983e+01 192.732 -2.67660e+00 -6.04786e-01 0.00000e+00 0.00000e+00 1.35755e+01 12.732  8.81738e+01 12.732  0.7891 
1 1 1 14 11 39 o 5  8.27907e+01 7.22429e+00 1.61954e+02 309.632 1.18535e+01  -1.43121e+01 0.00000e+00 0.00000e+00 3.50876e+01 309.632 1.26867e+02 129.632 0.9727 
1 1 1 14 11 40 o 19 3.96066e+01 1.07562e+01 3.60924e+01 316.570 1.31462e+00  -1.24450e+00 0.00000e+00 0.00000e+00 2.80377e+01 316.570 8.05466e+00 136.570 0.6640 
1 1 1 14 11 41 o 17 1.12887e+02 5.82758e+00 1.02775e+02 239.910 -8.53742e+00 -1.47335e+01 0.00000e+00 0.00000e+00 1.63354e+02 239.910 6.05782e+01 239.910 0.9702 
1 1 1 14 11 42 o 10 1.12025e+02 5.99443e+00 1.07495e+02 164.588 -1.74701e+01 4.81589e+00  0.00000e+00 0.00000e+00 1.56154e+02 164.588 4.86597e+01 164.588 0.9720 
1 1 1 14 11 43 o 2  4.14963e+01 1.07754e+01 6.40056e+01 83.918  4.07741e-01  3.82687e+00  0.00000e+00 0.00000e+00 2.18285e+01 83.918  4.21771e+01 263.918 0.8574 
1 1 1 14 11 44 o 12 1.63374e+02 5.70221e+00 1.98748e+02 190.726 -5.38763e+01 -1.02049e+01 0.00000e+00 0.00000e+00 1.90302e+02 190.726 8.44603e+00 10.726  0.9908 
1 1 1 14 11 45 o 5  4.73233e+01 1.22257e+01 3.10248e+01 154.665 -1.99366e+00 9.43899e-01  0.00000e+00 0.00000e+00 5.15518e+01 154.665 2.05270e+01 154.665 0.7288 
1 1 1 14 11 46 o 2  5.05276e+01 1.16723e+01 5.73873e+01 195.226 -4.22872e+00 -1.15097e+00 0.00000e+00 0.00000e+00 4.82612e+01 195.226 9.12613e+00 15.226  0.8768 
1 1 1 14 11 47 o 3  5.57918e+01 1.18605e+01 5.78158e+01 228.867 -3.16320e+00 -3.62183e+00 0.00000e+00 0.00000e+00 5.99593e+01 228.867 2.14354e+00 228.867 0.8887 
1 1 1 14 11 48 o 19 8.46885e+01 9.34099e+00 9.01639e+01 355.876 1.46599e+01  -1.05709e+00 0.00000e+00 0.00000e+00 1.03228e+02 355.876 1.30639e+01 355.876 0.9654 
1 1 1 14 11 49 o 14 3.74008e+01 1.07140e+01 4.21309e+01 3.773   2.94540e+00  1.94219e-01  0.00000e+00 0.00000e+00 2.89112e+01 3.773   1.32197e+01 183.773 0.8064 
1 1 1 14 11 50 o 13 3.73043e+01 1.06945e+01 2.61017e+01 72.243  5.90054e-01  1.84256e+00  0.00000e+00 0.00000e+00 3.39903e+01 72.243  7.88856e+00 72.243  0.6868 
1 1 1 14 11 51 o 12 4.83930e+01 1.14454e+01 6.45218e+01 309.790 4.08650e+00  -4.90654e+00 0.00000e+00 0.00000e+00 3.92231e+01 309.790 2.52987e+01 129.790 0.9180 
1 1 1 14 11 52 o 19 5.13472e+01 1.12726e+01 5.01865e+01 187.207 -5.34319e+00 -6.75657e-01 0.00000e+00 0.00000e+00 5.74530e+01 187.207 7.26651e+00 187.207 0.9016 
1 1 1 14 11 53 o 17 3.09421e+01 1.07168e+01 3.22495e+01 147.738 -1.98871e+00 1.25534e+00  0.00000e+00 0.00000e+00 2.13100e+01 147.738 1.09395e+01 327.738 0.7479 
1 1 1 14 12 0  o 3  1.21020e+02 1.17482e+01 1.87035e+02 0.000   5.39219e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.30175e+02 0.000   5.68600e+01 180.000 1.0000 
1 1 1 14 12 1  o 4  5.19836e+01 1.34720e+01 1.22861e+02 294.966 1.19968e+00  -2.57675e+00 0.00000e+00 0.00000e+00 1.41806e+01 114.966 1.37041e+02 114.966 0.7976 
1 1 1 14 12 2  o 5  2.28636e+02 5.10613e+00 2.18307e+02 323.923 1.97218e+01  -1.43693e+01 0.00000e+00 0.00000e+00 3.68492e+02 323.923 1.50185e+02 323.923 0.9793 
1 1 1 14 12 3  o 14 1.45596e+02 5.96065e+00 2.47176e+02 147.976 -1.48003e+01 9.25704e+00  0.00000e+00 0.00000e+00 1.23225e+02 147.976 1.23950e+02 327.975 0.9709 
1 1 1 14 12 4  o 4  1.73130e+02 5.02189e+00 2.39504e+02 286.498 5.73546e+00  -1.93648e+01 0.00000e+00 0.00000e+00 2.02627e+02 286.498 3.68774e+01 106.498 0.9749 
1 1 1 14 12 5  o 2  9.05768e+01 7.99462e+00 1.56226e+02 163.735 -6.43695e+00 1.87801e+00  0.00000e+00 0.00000e+00 6.24634e+01 163.735 9.37629e+01 343.735 0.9221 
1 1 1 14 12 6  o 6  2.09215e+02 4.37666e+00 1.67727e+02 77.229  3.76590e+00  1.66149e+01  0.00000e+00 0.00000e+00 3.63504e+02 77.229  1.95777e+02 77.229  0.9702 
1 1 1 14 12 7  o 16 2.88372e+02 4.16925e+00 3.17075e+02 316.665 3.22487e+01  -3.04265e+01 0.00000e+00 0.00000e+00 4.28668e+02 316.665 1.11593e+02 316.665 0.9887 
1 1 1 14 12 8  o 17 2.18092e+02 4.22332e+00 2.54617e+02 151.490 -2.35216e+01 1.27767e+01  0.00000e+00 0.00000e+00 3.04729e+02 151.490 5.01120e+01 151.490 0.9811 
1 1 1 14 12 9  o 7  1.98587e+02 4.32114e+00 3.32106e+02 11.746  3.09128e+01  6.42789e+00  0.00000e+00 0.00000e+00 1.78343e+02 11.746  1.53763e+02 191.746 0.9840 
1 1 1 14 12 10 o 16 3.84502e+02 3.84879e+00 4.99830e+02 108.412 -2.89249e+01 8.68921e+01  0.00000e+00 0.00000e+00 4.98213e+02 108.412 1.61684e+00 288.412 0.9945 
1 1 1 14 12 11 o 12 4.34779e+01 1.04520e+01 4.14165e+01 58.539  4.27343e-01  6.98434e-01  0.00000e+00 0.00000e+00 1.49848e+00 58.539  3.99180e+01 238.539 0.3785 
1 1 1 14 12 12 o 10 3.37723e+01 1.01661e+01 1.12400e+02 354.849 1.71135e+00  -1.54264e-01 0.00000e+00 0.00000e+00 5.55971e+01 174.849 1.67997e+02 174.849 0.6457 
1 1 1 14 12 13 o 19 1.72929e+02 4.95444e+00 1.71063e+02 70.337  4.68219e+00  1.31036e+01  0.00000e+00 0.00000e+00 2.62451e+02 70.337  9.13886e+01 70.337  0.9634 
1 1 1 14 12 14 o 19 2.38675e+02 4.51346e+00 2.28792e+02 246.242 -1.16443e+01 -2.64531e+01 0.00000e+00 0.00000e+00 3.80740e+02 246.242 1.51948e+02 246.242 0.9825 
1 1 1 14 12 15 o 10 1.17890e+02 6.39868e+00 6.77499e+01 52.902  2.48959e+00  3.29207e+00  0.00000e+00 0.00000e+00 1.97964e+02 52.902  1.30214e+02 52.902  0.8682 
1 1 1 14 12 16 o 19 8.08932e+01 8.64994e+00 7.10198e+01 169.358 -3.26258e+00 6.13051e-01  0.00000e+00 0.00000e+00 1.03272e+02 169.358 3.22523e+01 169.358 0.8311 
1 1 1 14 12 17 o 1  1.78993e+02 4.62344e+00 2.33506e+02 159.972 -2.33763e+01 8.52124e+00  0.00000e+00 0.00000e+00 2.20456e+02 159.972 1.30503e+01 339.972 0.9797 
1 1 1 14 12 18 o 3  1.34852e+02 5.26313e+00 2.34029e+02 267.831 -6.56364e-01 -1.73289e+01 0.00000e+00 0.00000e+00 1.04340e+02 267.831 1.29689e+02 87.831  0.9707 
1 1 1 14 12 19 o 3  9.48519e+01 6.97177e+00 8.04821e+01 73.593  1.15298e+00  3.91584e+00  0.00000e+00 0.00000e+00 1.31653e+02 73.593  5.11707e+01 73.593  0.8666 
1 1 1 14 12 20 o 2  6.51395e+01 9.60016e+00 1.23931e+02 232.417 -3.37466e+00 -4.38483e+00 0.00000e+00 0.00000e+00 2.78565e+01 232.417 9.60747e+01 52.417  0.9044 
1 1 1 14 12 21 o 17 1.56698e+02 4.65733e+00 1.75412e+02 2.393   1.98137e+01  8.27961e-01  0.00000e+00 0.00000e+00 2.17297e+02 2.393   4.18847e+01 2.393   0.9745 
1 1 1 14 12 22 f 0  1.60353e+02 4.82266e+00 1.16263e+02 327.670 1.17780e+01  -7.45422e+00 0.00000e+00 0.00000e+00 2.80326e+02 327.670 1.64063e+02 327.670 0.9634 
1 1 1 14 12 23 o 2  2.40076e+02 4.03697e+00 2.52266e+02 93.090  -2.47553e+00 4.58621e+01  0.00000e+00 0.00000e+00 3.56102e+02 93.090  1.03836e+02 93.090  0.9891 
1 1 1 14 12 24 o 15 1.31222e+02 5.49854e+00 1.47744e+02 159.411 -1.33876e+01 5.02911e+00  0.00000e+00 0.00000e+00 1.75829e+02 159.411 2.80857e+01 159.411 0.9644 
1 1 1 14 12 25 o 8  9.20583e+01 7.17428e+00 9.33786e+01 324.886 5.14191e+00  -3.61564e+00 0.00000e+00 0.00000e+00 1.21917e+02 324.886 2.85383e+01 324.886 0.9166 
1 1 1 14 12 26 o 1  1.03767e+02 6.70744e+00 1.75367e+02 17.524  1.38779e+01  4.38216e+00  0.00000e+00 0.00000e+00 7.95716e+01 17.524  9.57956e+01 197.524 0.9650 
1 1 1 14 12 27 o 9  3.30927e+02 4.39181e+00 3.24543e+02 293.409 3.36237e+01  -7.76651e+01 0.00000e+00 0.00000e+00 5.11063e+02 293.409 1.86520e+02 293.409 0.9941 
1 1 1 14 12 28 f 0  2.23571e+02 4.08953e+00 1.78334e+02 36.463  2.49179e+01  1.84137e+01  0.00000e+00 0.00000e+00 3.78994e+02 36.463  2.00661e+02 36.463  0.9837 
1 1 1 14 12 29 o 15 1.60884e+02 4.81226e+00 1.75431e+02 347.968 2.68508e+01  -5.72301e+00 0.00000e+00 0.00000e+00 2.23784e+02 347.968 4.83529e+01 347.968 0.9816 
1 1 1 14 12 30 o 9  1.67666e+02 4.91683e+00 1.83371e+02 309.071 1.66700e+01  -2.05339e+01 0.00000e+00 0.00000e+00 2.31318e+02 309.071 4.79463e+01 309.071 0.9809 
1 1 1 14 12 31 o 5  3.48092e+01 1.02746e+01 7.78544e+01 177.880 -2.60939e+00 9.65766e-02  0.00000e+00 0.00000e+00 9.87492e+00 357.880 8.77293e+01 357.880 0.7766 
1 1 1 14 12 32 o 11 2.78047e+02 3.86375e+00 2.96008e+02 324.422 7.47459e+01  -5.34693e+01 0.00000e+00 0.00000e+00 3.97525e+02 324.422 1.01517e+02 324.422 0.9945 
1 1 1 14 12 33 f 0  5.63719e+01 1.01637e+01 7.74223e+01 138.352 -3.08746e+00 2.74579e+00  0.00000e+00 0.00000e+00 4.50087e+01 138.352 3.24136e+01 318.352 0.8684 
1 1 1 14 12 34 o 14 7.45622e+01 8.32222e+00 6.39960e+01 269.792 -1.99424e-02 -5.48366e+00 0.00000e+00 0.00000e+00 1.04002e+02 269.792 4.00058e+01 269.792 0.9035 
1 1 1 14 12 35 o 8  4.76886e+01 1.09864e+01 3.60301e+01 218.316 -1.52097e+00 -1.20190e+00 0.00000e+00 0.00000e+00 4.54767e+01 218.316 9.44655e+00 218.316 0.6874 
1 1 1 14 12 37 o 7  9.23254e+01 7.21048e+00 7.38800e+01 41.895  7.09705e+00  6.36667e+00  0.00000e+00 0.00000e+00 1.41933e+02 41.895  6.80525e+01 41.895  0.9460 
1 1 1 14 12 38 o 3  6.15674e+01 1.03214e+01 5.20959e+01 178.170 -4.14859e+00 1.32550e-01  0.00000e+00 0.00000e+00 7.96889e+01 178.170 2.75930e+01 178.170 0.8691 
1 1 1 14 12 39 o 18 4.49906e+01 1.09494e+01 2.70638e+01 12.332  1.43517e+00  3.13771e-01  0.00000e+00 0.00000e+00 3.79198e+01 12.332  1.08560e+01 12.332  0.5884 
1 1 1 14 12 40 o 8  9.50273e+01 6.98037e+00 1.16818e+02 284.191 4.04613e+00  -1.60009e+01 0.00000e+00 0.00000e+00 1.08503e+02 284.191 8.31516e+00 104.191 0.9692 
1 1 1 14 12 41 o 8  3.63482e+01 1.07133e+01 3.19546e+01 92.836  -8.42023e-02 1.69995e+00  0.00000e+00 0.00000e+00 2.49579e+01 92.836  6.99675e+00 272.836 0.6423 
1 1 1 14 12 42 o 11 3.27480e+01 1.01650e+01 4.16555e+01 162.572 -1.94138e+00 6.09426e-01  0.00000e+00 0.00000e+00 1.43011e+01 162.572 2.73543e+01 342.572 0.7034 
1 1 1 14 12 43 o 19 7.80017e+01 1.01277e+01 5.61155e+01 223.737 -4.58860e+00 -4.39061e+00 0.00000e+00 0.00000e+00 1.17094e+02 223.737 6.09789e+01 223.737 0.9175 
1 1 1 14 12 44 o 10 8.71927e+01 9.63621e+00 9.88741e+01 110.163 -4.92901e+00 1.34233e+01  0.00000e+00 0.00000e+00 1.03878e+02 110.163 5.00366e+00 110.163 0.9644 
1 1 1 14 12 45 o 5  7.41497e+01 1.00582e+01 9.26809e+01 248.703 -4.04887e+00 -1.03866e+01 0.00000e+00 0.00000e+00 7.72396e+01 248.703 1.54413e+01 68.703  0.9540 
1 1 1 14 12 46 o 5  6.94859e+01 9.71408e+00 4.71185e+01 247.574 -2.20919e+00 -5.35288e+00 0.00000e+00 0.00000e+00 1.04000e+02 247.574 5.68817e+01 247.574 0.9090 
1 1 1 14 12 47 o 15 4.40615e+01 1.15156e+01 5.86062e+01 67.524  1.79784e+00  4.34546e+00  0.00000e+00 0.00000e+00 3.44223e+01 67.524  2.41839e+01 247.524 0.8860 
1 1 1 14 12 48 o 4  3.73143e+01 1.06358e+01 1.96432e+01 93.926  -1.00811e-01 1.46900e+00  0.00000e+00 0.00000e+00 3.25386e+01 93.926  1.28954e+01 93.926  0.5892 
1 1 1 14 12 49 o 5  3.33424e+01 1.03077e+01 1.05150e+01 275.776 7.75883e-02  -7.67041e-01 0.00000e+00 0.00000e+00 1.78065e+01 275.776 7.29145e+00 275.776 0.3594 
1 1 1 14 12 50 o 15 3.85087e+01 1.13972e+01 3.21822e+01 96.052  -2.77231e-01 2.61492e+00  0.00000e+00 0.00000e+00 3.83564e+01 96.052  6.17417e+00 96.052  0.7784 
1 1 1 14 12 51 o 3  3.58673e+01 1.10885e+01 4.81735e+01 63.675  1.61303e+00  3.26014e+00  0.00000e+00 0.00000e+00 2.30886e+01 63.675  2.50850e+01 243.675 0.8480 
1 1 1 14 13 0  f 0  1.43483e+02 7.62711e+00 1.07843e+02 180.000 -3.67238e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.69113e+02 180.000 1.61270e+02 180.000 0.9987 
1 1 1 14 13 1  f 0  1.18089e+02 6.20642e+00 2.28677e+02 138.163 -9.49058e+00 8.49660e+00  0.00000e+00 0.00000e+00 6.94998e+01 138.163 1.59177e+02 318.163 0.9599 
1 1 1 14 13 2  o 6  2.59360e+02 3.94783e+00 2.96717e+02 312.092 2.46578e+01  -2.72967e+01 0.00000e+00 0.00000e+00 3.76097e+02 312.092 7.93805e+01 312.092 0.9863 
1 1 1 14 13 3  o 17 5.57105e+01 1.15659e+01 1.18356e+02 86.872  1.59839e-01  2.92447e+00  0.00000e+00 0.00000e+00 4.89650e-01 266.872 1.18846e+02 266.872 0.8046 
1 1 1 14 13 4  f 0  1.26460e+02 6.76781e+00 1.86336e+02 296.522 4.91472e+00  -9.84776e+00 0.00000e+00 0.00000e+00 1.30617e+02 296.522 5.57186e+01 116.522 0.9534 
1 1 1 14 13 5  o 10 2.40190e+02 4.71290e+00 2.04584e+02 2.047   2.62852e+01  9.39609e-01  0.00000e+00 0.00000e+00 4.14457e+02 2.047   2.09873e+02 2.047   0.9808 
1 1 1 14 13 6  o 17 8.62313e+01 1.11013e+01 1.18853e+02 244.508 -2.19663e+00 -4.60695e+00 0.00000e+00 0.00000e+00 8.40191e+01 244.508 3.48342e+01 64.508  0.8957 
1 1 1 14 13 7  o 1  2.26553e+02 5.99583e+00 2.54085e+02 240.009 -1.51291e+01 -2.62143e+01 0.00000e+00 0.00000e+00 3.30714e+02 240.009 7.66292e+01 240.009 0.9833 
1 1 1 14 13 8  o 14 2.76590e+02 5.08271e+00 3.26633e+02 145.878 -3.93977e+01 2.66958e+01  0.00000e+00 0.00000e+00 3.91290e+02 145.878 6.46572e+01 145.878 0.9894 
1 1 1 14 13 9  o 1  1.97787e+02 5.38360e+00 2.56327e+02 52.298  1.62027e+01  2.09622e+01  0.00000e+00 0.00000e+00 2.52272e+02 52.298  4.05549e+00 232.298 0.9809 
1 1 1 14 13 10 o 17 1.12819e+02 6.77655e+00 1.11198e+02 239.195 -3.82118e+00 -6.40890e+00 0.00000e+00 0.00000e+00 1.63723e+02 239.195 5.25257e+01 239.195 0.9304 
1 1 1 14 13 11 o 3  3.19384e+02 3.74891e+00 3.44982e+02 345.052 6.44687e+01  -1.72116e+01 0.00000e+00 0.00000e+00 4.84524e+02 345.052 1.39542e+02 345.052 0.9925 
1 1 1 14 13 12 f 0  1.50208e+02 5.00962e+00 1.65665e+02 327.029 1.24377e+01  -8.06806e+00 0.00000e+00 0.00000e+00 2.13540e+02 327.029 4.78758e+01 327.029 0.9657 
1 1 1 14 13 13 o 5  1.94757e+02 4.26121e+00 1.78301e+02 234.936 -1.11142e+01 -1.58348e+01 0.00000e+00 0.00000e+00 3.16977e+02 234.936 1.38676e+02 234.936 0.9738 
1 1 1 14 13 14 o 7  1.73287e+02 4.55435e+00 1.28168e+02 209.493 -1.06503e+01 -6.02395e+00 0.00000e+00 0.00000e+00 3.04956e+02 209.493 1.76788e+02 209.493 0.9582 
1 1 1 14 13 15 o 5  6.07646e+01 1.02524e+01 9.24615e+01 359.996 3.85191e+00  -2.67931e-04 0.00000e+00 0.00000e+00 4.32948e+01 359.996 4.91667e+01 179.996 0.8576 
1 1 1 14 13 16 o 17 1.31235e+02 5.32281e+00 1.55234e+02 94.506  -1.16676e+00 1.48039e+01  0.00000e+00 0.00000e+00 1.74494e+02 94.506  1.92599e+01 94.506  0.9657 
1 1 1 14 13 17 o 8  1.79933e+02 4.38199e+00 2.52549e+02 9.846   3.42794e+01  5.94932e+00  0.00000e+00 0.00000e+00 2.08147e+02 9.846   4.44017e+01 189.846 0.9855 
1 1 1 14 13 18 o 16 5.71945e+01 1.05020e+01 7.28198e+01 83.483  3.28508e-01  2.87589e+00  0.00000e+00 0.00000e+00 4.61525e+01 83.483  2.66673e+01 263.483 0.8019 
1 1 1 14 13 19 o 8  1.46323e+02 4.96880e+00 1.62638e+02 191.487 -1.77392e+01 -3.60499e+00 0.00000e+00 0.00000e+00 2.05709e+02 191.487 4.30711e+01 191.487 0.9720 
1 1 1 14 13 20 o 10 1.14622e+02 5.86442e+00 1.11398e+02 2.672   9.49769e+00  4.43261e-01  0.00000e+00 0.00000e+00 1.68921e+02 2.672   5.75229e+01 2.672   0.9459 
1 1 1 14 13 21 o 11 5.14935e+01 1.03225e+01 1.20399e+02 32.320  3.69485e+00  2.33762e+00  0.00000e+00 0.00000e+00 3.91414e+00 212.320 1.24313e+02 212.320 0.8765 
1 1 1 14 13 22 o 16 1.08490e+02 6.03172e+00 9.43658e+01 72.863  2.24379e+00  7.27707e+00  0.00000e+00 0.00000e+00 1.66072e+02 72.863  7.17065e+01 72.863  0.9318 
1 1 1 14 13 23 o 11 1.87829e+02 4.27484e+00 2.54183e+02 352.434 3.90979e+01  -5.19325e+00 0.00000e+00 0.00000e+00 2.22607e+02 352.434 3.15757e+01 172.434 0.9872 
1 1 1 14 13 24 o 14 5.01107e+01 1.04642e+01 1.20573e+02 279.529 7.26802e-01  -4.32949e+00 0.00000e+00 0.00000e+00 7.80300e+00 99.530  1.28376e+02 99.530  0.8770 
1 1 1 14 13 25 o 16 1.78153e+02 4.26637e+00 2.28677e+02 350.126 4.02564e+01  -7.00702e+00 0.00000e+00 0.00000e+00 2.21884e+02 350.126 6.79298e+00 170.126 0.9877 
1 1 1 14 13 26 o 10 5.52678e+01 1.10000e+01 8.41279e+01 210.737 -3.49733e+00 -2.07961e+00 0.00000e+00 0.00000e+00 3.81753e+01 210.737 4.59526e+01 30.737  0.8661 
1 1 1 14 13 27 f 0  1.11163e+02 6.12652e+00 9.03715e+01 353.720 8.56588e+00  -9.42679e-01 0.00000e+00 0.00000e+00 1.76013e+02 353.720 8.56413e+01 353.720 0.9401 
1 1 1 14 13 28 o 14 5.36607e+01 1.12164e+01 1.16043e+02 15.664  5.69708e+00  1.59752e+00  0.00000e+00 0.00000e+00 8.28247e+00 15.664  1.07761e+02 195.664 0.9110 
1 1 1 14 13 29 o 19 1.68146e+02 5.03217e+00 1.89242e+02 228.824 -2.34032e+01 -2.67561e+01 0.00000e+00 0.00000e+00 2.31278e+02 228.824 4.20351e+01 228.824 0.9858 
1 1 1 14 13 30 o 1  4.37665e+01 1.11474e+01 5.65494e+01 213.620 -1.92938e+00 -1.28283e+00 0.00000e+00 0.00000e+00 2.57942e+01 213.620 3.07551e+01 33.620  0.7435 
1 1 1 14 13 31 o 17 1.21696e+02 6.04303e+00 1.65760e+02 193.882 -2.40213e+01 -5.93664e+00 0.00000e+00 0.00000e+00 1.35100e+02 193.882 3.06603e+01 13.882  0.9796 
1 1 1 14 13 32 o 9  5.28530e+01 1.10528e+01 7.83839e+01 212.399 -3.73657e+00 -2.37124e+00 0.00000e+00 0.00000e+00 3.84263e+01 212.399 3.99576e+01 32.399  0.8781 
1 1 1 14 13 34 o 16 7.38995e+01 9.78243e+00 3.67349e+01 135.975 -1.83209e+00 1.77078e+00  0.00000e+00 0.00000e+00 1.05692e+02 135.975 6.89575e+01 135.975 0.7701 
1 1 1 14 13 35 o 14 6.64439e+01 1.01181e+01 1.14611e+02 303.835 5.46736e+00  -8.15627e+00 0.00000e+00 0.00000e+00 4.24952e+01 303.835 7.21157e+01 123.835 0.9476 
1 1 1 14 13 36 o 19 1.55068e+02 4.96267e+00 1.66703e+02 78.108  7.66811e+00  3.64140e+01  0.00000e+00 0.00000e+00 2.13818e+02 78.108  4.71154e+01 78.108  0.9865 
1 1 1 14 13 37 o 4  1.35153e+02 5.45569e+00 1.79901e+02 112.627 -1.40726e+01 3.37630e+01  0.00000e+00 0.00000e+00 1.50629e+02 112.627 2.92714e+01 292.627 0.9862 
1 1 1 14 13 38 o 9  1.05527e+02 6.52011e+00 1.51665e+02 316.840 1.76781e+01  -1.65775e+01 0.00000e+00 0.00000e+00 1.03729e+02 316.840 4.79359e+01 136.840 0.9791 
1 1 1 14 13 39 o 2  9.30912e+01 7.23353e+00 6.45231e+01 263.213 -1.17948e+00 -9.91030e+00 0.00000e+00 0.00000e+00 1.52998e+02 263.213 8.84747e+01 263.213 0.9485 
1 1 1 14 13 40 o 10 1.17533e+02 6.14152e+00 1.58372e+02 231.939 -1.95985e+01 -2.50297e+01 0.00000e+00 0.00000e+00 1.25612e+02 231.939 3.27599e+01 51.939  0.9841 
1 1 1 14 13 41 o 5  7.77547e+01 8.82296e+00 7.77676e+01 279.271 1.48981e+00  -9.12672e+00 0.00000e+00 0.00000e+00 1.01865e+02 279.271 2.40974e+01 279.271 0.9443 
1 1 1 14 13 42 o 11 4.53501e+01 1.06267e+01 1.66711e+01 53.612  7.22389e-01  9.80270e-01  0.00000e+00 0.00000e+00 4.06222e+01 53.612  2.39511e+01 53.612  0.5182 
1 1 1 14 13 43 o 17 6.55976e+01 1.13811e+01 6.62976e+01 144.425 -5.47810e+00 3.91831e+00  0.00000e+00 0.00000e+00 8.06773e+01 144.425 1.43797e+01 144.425 0.9225 
1 1 1 14 13 44 o 5  1.12955e+02 6.32872e+00 1.29975e+02 23.880  2.71430e+01  1.20168e+01  0.00000e+00 0.00000e+00 1.38711e+02 23.880  8.73551e+00 23.880  0.9830 
1 1 1 14 13 45 o 9  4.88161e+01 1.02588e+01 9.19394e+01 117.273 -3.82062e+00 7.41095e+00  0.00000e+00 0.00000e+00 1.84339e+01 117.273 7.35055e+01 297.273 0.9380 
1 1 1 14 13 46 o 2  3.00375e+01 9.69133e+00 3.22163e+01 56.802  1.12595e+00  1.72077e+00  0.00000e+00 0.00000e+00 1.87621e+01 56.802  1.34541e+01 236.802 0.7068 
1 1 1 14 13 47 o 11 6.58040e+01 1.16926e+01 8.52326e+01 333.455 9.51710e+00  -4.75432e+00 0.00000e+00 0.00000e+00 6.45475e+01 333.455 2.06851e+01 153.455 0.9518 
1 1 1 14 13 48 o 17 4.50428e+01 1.22468e+01 6.74598e+01 100.580 -1.13500e+00 6.07654e+00  0.00000e+00 0.00000e+00 3.07102e+01 100.580 3.67496e+01 280.580 0.9151 
1 1 1 14 13 49 o 13 3.01302e+01 9.96501e+00 1.20029e+01 161.690 -7.75472e-01 2.56620e-01  0.00000e+00 0.00000e+00 1.49918e+01 161.690 2.98883e+00 161.690 0.3778 
1 1 1 14 14 0  o 10 1.85868e+02 1.13569e+01 1.06562e+02 180.000 -2.75232e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.80283e+02 180.000 2.73721e+02 180.000 0.9919 
1 1 1 14 14 1  o 12 4.28304e+02 7.90131e+00 6.49305e+02 270.000 -4.73461e-15 -7.73220e+01 0.00000e+00 0.00000e+00 4.81669e+02 270.000 1.67636e+02 90.000  1.0000 
1 1 1 14 14 2  o 13 3.07128e+01 1.89291e+01 8.74468e+01 0.000   6.72960e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.98536e+01 180.000 1.27300e+02 180.000 0.5869 
1 1 1 14 14 3  o 12 2.34889e+02 6.68546e+00 3.48583e+02 90.000  1.39925e-15  2.28514e+01  0.00000e+00 0.00000e+00 2.71448e+02 90.000  7.71350e+01 270.000 1.0000 
1 1 1 14 14 4  o 16 2.55899e+02 7.48002e+00 2.55496e+02 0.000   1.81285e+01  0.00000e+00  0.00000e+00 0.00000e+00 4.19789e+02 0.000   1.64293e+02 0.000   1.0000 
1 1 1 14 14 5  o 6  3.37771e+02 5.65920e+00 3.67509e+02 90.000  2.11959e-15  3.46156e+01  0.00000e+00 0.00000e+00 5.23482e+02 90.000  1.55973e+02 90.000  1.0000 
1 1 1 14 14 6  o 3  2.84997e+02 5.83081e+00 3.93499e+02 180.000 -3.11321e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.57925e+02 180.000 3.55742e+01 0.000   1.0000 
1 1 1 14 14 7  o 6  1.80641e+02 7.17751e+00 1.22475e+02 90.000  5.04990e-16  8.24711e+00  0.00000e+00 0.00000e+00 3.53535e+02 90.000  2.31060e+02 90.000  1.0000 
1 1 1 14 14 8  o 18 1.91763e+02 6.51359e+00 1.64161e+02 0.000   1.17315e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.40832e+02 0.000   1.76671e+02 0.000   1.0000 
1 1 1 14 14 9  o 13 2.01499e+02 6.06119e+00 1.81220e+02 270.000 -8.31100e-16 -1.35729e+01 0.00000e+00 0.00000e+00 3.49023e+02 270.000 1.67802e+02 270.000 1.0000 
1 1 1 14 14 10 o 1  4.10712e+01 1.94349e+01 1.64729e+02 0.000   2.14454e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.96617e+01 180.000 2.24391e+02 180.000 0.9729 
1 1 1 14 14 11 o 3  3.62947e+01 2.01199e+01 3.86301e+01 90.000  2.79382e-17  4.56265e-01  0.00000e+00 0.00000e+00 2.08528e+00 90.000  3.65449e+01 270.000 0.4270 
1 1 1 14 14 12 o 17 3.86593e+01 2.04293e+01 1.31746e+02 180.000 -1.63881e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.76662e+01 0.000   1.69413e+02 0.000   0.9273 
1 1 1 14 14 13 o 15 1.06096e+02 1.04105e+01 2.03122e+02 270.000 -4.84597e-16 -7.91407e+00 0.00000e+00 0.00000e+00 7.50108e+01 270.000 1.28111e+02 90.000  1.0000 
1 1 1 14 14 14 o 7  3.74767e+02 6.00875e+00 4.27750e+02 0.000   6.18079e+01  0.00000e+00  0.00000e+00 0.00000e+00 5.53564e+02 0.000   1.25814e+02 0.000   1.0000 
1 1 1 14 14 15 o 18 2.06587e+02 6.55018e+00 2.75712e+02 270.000 -1.32830e-15 -2.16927e+01 0.00000e+00 0.00000e+00 2.64553e+02 270.000 1.11588e+01 90.000  1.0000 
1 1 1 14 14 16 f 0  2.14074e+02 7.34572e+00 2.16653e+02 180.000 -1.78616e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.42443e+02 180.000 1.25789e+02 180.000 1.0000 
1 1 1 14 14 17 o 4  1.42866e+02 6.84762e+00 1.93430e+02 90.000  6.47551e-16  1.05753e+01  0.00000e+00 0.00000e+00 1.79162e+02 90.000  1.42675e+01 270.000 1.0000 
1 1 1 14 14 18 o 3  9.51185e+01 9.56772e+00 8.98926e+01 180.000 -3.49508e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.57345e+02 180.000 6.74521e+01 180.000 0.9982 
1 1 1 14 14 19 o 6  4.21481e+01 1.88719e+01 3.57903e+01 90.000  3.27898e-17  5.35498e-01  0.00000e+00 0.00000e+00 1.78575e+01 90.000  1.79328e+01 270.000 0.4896 
1 1 1 14 14 20 o 9  2.37258e+02 5.40948e+00 2.98269e+02 0.000   2.85033e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.17541e+02 0.000   1.92729e+01 0.000   1.0000 
1 1 1 14 14 21 o 9  1.87050e+02 5.93186e+00 2.48547e+02 270.000 -1.12914e-15 -1.84402e+01 0.00000e+00 0.00000e+00 2.36088e+02 270.000 1.24585e+01 90.000  1.0000 
1 1 1 14 14 22 f 0  6.13331e+01 1.56327e+01 3.06398e+01 0.000   8.30874e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.73688e+01 0.000   4.67290e+01 0.000   0.6809 
1 1 1 14 14 23 o 16 2.57024e+02 5.42983e+00 2.90107e+02 270.000 -2.04381e-15 -3.33779e+01 0.00000e+00 0.00000e+00 3.73304e+02 270.000 8.31975e+01 270.000 1.0000 
1 1 1 14 14 24 o 17 1.60981e+02 6.36314e+00 3.63771e+02 180.000 -2.56992e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.09001e+01 180.000 3.12870e+02 0.000   1.0000 
1 1 1 14 14 25 o 15 3.22008e+01 1.77513e+01 1.52996e+01 90.000  1.38449e-17  2.26105e-01  0.00000e+00 0.00000e+00 3.10272e+00 90.000  1.21969e+01 270.000 0.2223 
1 1 1 14 14 26 o 2  9.62580e+01 9.42028e+00 1.15076e+02 180.000 -6.06475e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.31804e+02 180.000 1.67277e+01 180.000 1.0000 
1 1 1 14 14 27 o 11 1.22509e+02 7.60206e+00 1.82966e+02 90.000  7.30590e-16  1.19314e+01  0.00000e+00 0.00000e+00 1.30528e+02 90.000  5.24384e+01 270.000 1.0000 
1 1 1 14 14 28 f 0  1.16713e+02 7.87401e+00 5.49555e+01 0.000   4.00815e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.42802e+02 0.000   1.87846e+02 0.000   0.9993 
1 1 1 14 14 29 o 9  5.85303e+01 1.59479e+01 8.50296e+01 90.000  1.63084e-16  2.66336e+00  0.00000e+00 0.00000e+00 6.25828e+01 90.000  2.24468e+01 270.000 0.9903 
1 1 1 14 14 30 o 17 3.86776e+01 2.48349e+01 1.26680e+02 0.000   2.19664e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.08321e+01 180.000 1.57512e+02 180.000 0.9756 
1 1 1 14 14 32 o 8  6.22448e+01 1.77183e+01 2.58932e+01 0.000   9.65306e-01  0.00000e+00  0.00000e+00 0.00000e+00 9.15280e+01 0.000   6.56347e+01 0.000   0.7466 
1 1 1 14 14 33 o 9  2.55386e+01 1.65573e+01 8.06874e+01 90.000  7.90425e-17  1.29086e+00  0.00000e+00 0.00000e+00 2.53924e+01 270.000 1.06080e+02 270.000 0.8594 
1 1 1 14 14 34 o 2  1.83407e+02 1.05113e+01 3.10881e+02 180.000 -3.89302e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.49883e+02 180.000 1.60998e+02 0.000   1.0000 
1 1 1 14 14 35 o 6  1.06813e+02 1.02539e+01 1.28998e+02 90.000  6.09713e-16  9.95737e+00  0.00000e+00 0.00000e+00 1.38544e+02 90.000  9.54687e+00 90.000  1.0000 
1 1 1 14 14 36 o 17 2.73822e+01 1.71905e+01 5.00488e+01 180.000 -8.67355e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.18323e+00 0.000   5.22321e+01 0.000   0.7000 
1 1 1 14 14 37 o 5  1.03758e+02 1.02515e+01 1.41986e+02 270.000 -7.51668e-16 -1.22757e+01 0.00000e+00 0.00000e+00 1.16297e+02 270.000 2.56887e+01 90.000  1.0000 
1 1 1 14 14 38 o 19 3.82872e+01 1.96929e+01 3.68627e+01 0.000   9.08752e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.15873e+01 0.000   5.27542e+00 180.000 0.7205 
1 1 1 14 14 39 o 3  4.31834e+01 2.03442e+01 4.74335e+01 90.000  8.63640e-17  1.41043e+00  0.00000e+00 0.00000e+00 4.73540e+01 90.000  7.95065e-02 270.000 0.8876 
1 1 1 14 14 40 o 5  2.64410e+01 1.72078e+01 1.65224e+01 0.000   3.29266e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.19139e+00 0.000   1.23310e+01 180.000 0.3179 
1 1 1 14 14 41 o 14 1.96066e+01 1.39545e+01 2.58401e+01 90.000  2.57012e-17  4.19732e-01  0.00000e+00 0.00000e+00 6.73734e+00 270.000 3.25775e+01 270.000 0.3967 
1 1 1 14 14 42 o 6  8.33250e+01 1.59486e+01 8.03608e+01 0.000   5.60578e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.23548e+02 0.000   4.31868e+01 0.000   1.0000 
1 1 1 14 14 43 f 0  2.06532e+01 1.45621e+01 3.22508e+01 90.000  3.80342e-17  6.21145e-01  0.00000e+00 0.00000e+00 4.45709e+00 270.000 3.67079e+01 270.000 0.5519 
1 1 1 14 14 44 o 11 6.38146e+01 1.85680e+01 4.63220e+01 0.000   2.62556e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.07075e+02 0.000   6.07530e+01 0.000   0.9896 
1 1 1 14 14 45 o 7  2.44539e+01 1.62359e+01 5.91728e+01 90.000  8.54353e-17  1.39526e+00  0.00000e+00 0.00000e+00 6.84397e+00 270.000 6.60168e+01 270.000 0.8843 
1 1 1 14 14 46 o 15 1.40677e+02 1.13277e+01 2.01217e+02 0.000   3.50817e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.37862e+02 0.000   6.33545e+01 180.000 1.0000 
1 1 1 14 14 47 o 13 4.37476e+01 2.09495e+01 2.96994e+01 270.000 -6.81499e-17 -1.11297e+00 0.00000e+00 0.00000e+00 5.48567e+01 270.000 2.51573e+01 270.000 0.8051 
1 1 1 14 14 48 o 15 8.75000e+01 1.62439e+01 8.31013e+01 180.000 -8.27623e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.26099e+02 180.000 4.29980e+01 180.000 1.0000 
1 1 1 15 0  1  o 4  4.41253e+02 5.45213e+00 7.20855e+02 315.000 2.42924e+01  -2.42924e+01 0.00000e+00 0.00000e+00 4.16972e+02 315.000 3.03883e+02 135.000 1.0000 
1 1 1 15 0  2  o 4  4.45991e+02 5.47851e+00 6.45840e+02 0.000   3.10577e+01  0.00000e+00  0.00000e+00 0.00000e+00 5.04057e+02 0.000   1.41783e+02 180.000 1.0000 
1 1 1 15 0  3  o 11 7.31201e+02 7.17048e+00 6.33713e+02 225.000 -3.51285e+01 -3.51285e+01 0.00000e+00 0.00000e+00 1.25113e+03 225.000 6.17421e+02 225.000 1.0000 
1 1 1 15 0  4  o 14 3.07904e+02 5.63291e+00 2.77095e+02 90.000  5.59498e-16  9.13729e+00  0.00000e+00 0.00000e+00 5.16362e+02 90.000  2.39267e+02 90.000  1.0000 
1 1 1 15 0  5  o 16 3.47926e+02 5.25232e+00 2.50774e+02 315.000 6.57889e+00  -6.57889e+00 0.00000e+00 0.00000e+00 6.45470e+02 315.000 3.94696e+02 315.000 1.0000 
1 1 1 15 0  6  o 11 1.33059e+02 8.79536e+00 2.20156e+02 0.000   3.08427e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.21003e+02 0.000   9.91531e+01 180.000 0.9958 
1 1 1 15 0  7  o 9  8.92650e+02 8.94219e+00 1.02848e+03 45.000  6.78551e+01  6.78551e+01  0.00000e+00 0.00000e+00 1.26857e+03 45.000  2.40086e+02 45.000  1.0000 
1 1 1 15 0  8  o 14 6.71506e+01 1.77344e+01 1.91170e+01 90.000  7.90405e-18  1.29083e-01  0.00000e+00 0.00000e+00 3.05094e+00 90.000  1.60660e+01 270.000 0.1284 
1 1 1 15 0  9  o 10 4.40641e+02 5.90165e+00 5.25620e+02 135.000 -1.81225e+01 1.81225e+01  0.00000e+00 0.00000e+00 6.06716e+02 135.000 8.10961e+01 135.000 1.0000 
1 1 1 15 0  10 o 6  6.70296e+02 7.26871e+00 6.69596e+02 180.000 -4.90690e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.05148e+03 180.000 3.81888e+02 180.000 1.0000 
1 1 1 15 0  11 o 8  2.16864e+02 6.35199e+00 2.44502e+02 225.000 -4.06351e+00 -4.06351e+00 0.00000e+00 0.00000e+00 3.11812e+02 225.000 6.73108e+01 225.000 1.0000 
1 1 1 15 0  12 o 12 2.60105e+02 5.52945e+00 3.40766e+02 90.000  6.47705e-16  1.05778e+01  0.00000e+00 0.00000e+00 3.25824e+02 90.000  1.49417e+01 270.000 1.0000 
1 1 1 15 0  14 o 12 1.37614e+02 7.83414e+00 1.85910e+00 180.000 -2.96468e-02 0.00000e+00  0.00000e+00 0.00000e+00 8.57010e+00 180.000 6.71100e+00 180.000 0.0296 
1 1 1 15 0  15 o 9  9.39473e+01 1.11128e+01 1.54834e+02 45.000  1.24654e+00  1.24654e+00  0.00000e+00 0.00000e+00 7.13738e+01 45.000  8.34600e+01 225.000 0.9428 
1 1 1 15 0  16 o 12 7.58165e+01 1.44641e+01 1.29694e+02 270.000 -7.09546e-17 -1.15878e+00 0.00000e+00 0.00000e+00 2.89886e+01 270.000 1.00705e+02 90.000  0.8206 
1 1 1 15 0  17 o 18 2.38868e+02 5.85101e+00 3.47048e+02 315.000 7.99709e+00  -7.99709e+00 0.00000e+00 0.00000e+00 2.61299e+02 315.000 8.57493e+01 135.000 1.0000 
1 1 1 15 0  18 o 17 9.29706e+01 1.16808e+01 1.81960e+02 0.000   2.23143e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.90704e+01 0.000   1.32890e+02 180.000 0.9772 
1 1 1 15 0  19 o 4  1.13579e+02 9.94132e+00 1.74631e+02 45.000  1.94550e+00  1.94550e+00  0.00000e+00 0.00000e+00 1.11392e+02 45.000  6.32382e+01 225.000 0.9919 
1 1 1 15 0  21 o 18 4.78652e+02 6.77858e+00 6.09228e+02 135.000 -3.27724e+01 3.27724e+01  0.00000e+00 0.00000e+00 6.01832e+02 135.000 7.39598e+00 315.000 1.0000 
1 1 1 15 0  22 o 10 1.81360e+02 7.72000e+00 2.41231e+02 180.000 -8.02734e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.16787e+02 180.000 2.44442e+01 0.000   1.0000 
1 1 1 15 0  23 o 2  4.68831e+02 6.38035e+00 5.51010e+02 225.000 -3.30369e+01 -3.30369e+01 0.00000e+00 0.00000e+00 6.30710e+02 225.000 7.97001e+01 225.000 1.0000 
1 1 1 15 0  24 o 4  3.22568e+02 6.48684e+00 3.90796e+02 270.000 -1.31268e-15 -2.14377e+01 0.00000e+00 0.00000e+00 4.20611e+02 270.000 2.98156e+01 270.000 1.0000 
1 1 1 15 0  26 o 1  5.16180e+02 6.06228e+00 4.97100e+02 0.000   5.35523e+01  0.00000e+00  0.00000e+00 0.00000e+00 7.95740e+02 0.000   2.98640e+02 0.000   1.0000 
1 1 1 15 0  27 o 5  2.20395e+02 5.95559e+00 2.29122e+02 225.000 -7.30272e+00 -7.30272e+00 0.00000e+00 0.00000e+00 3.21625e+02 225.000 9.25034e+01 225.000 1.0000 
1 1 1 15 0  28 o 1  2.47491e+02 5.72570e+00 3.00863e+02 90.000  1.06046e-15  1.73186e+01  0.00000e+00 0.00000e+00 3.16129e+02 90.000  1.52666e+01 90.000  1.0000 
1 1 1 15 0  29 o 19 1.66557e+02 7.52311e+00 1.07872e+02 135.000 -2.88081e+00 2.88081e+00  0.00000e+00 0.00000e+00 3.06094e+02 135.000 1.98222e+02 135.000 0.9994 
1 1 1 15 0  30 o 18 1.30575e+02 8.10243e+00 2.40272e+01 0.000   7.07273e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.73215e+02 0.000   1.49188e+02 0.000   0.6090 
1 1 1 15 0  31 o 12 7.61945e+01 1.39654e+01 6.45683e+01 45.000  8.35453e-01  8.35453e-01  0.00000e+00 0.00000e+00 9.15020e+01 45.000  2.69337e+01 45.000  0.8279 
1 1 1 15 0  32 o 10 1.92928e+02 7.11007e+00 1.09808e+02 270.000 -3.70036e-16 -6.04314e+00 0.00000e+00 0.00000e+00 3.66200e+02 270.000 2.56392e+02 270.000 1.0000 
1 1 1 15 0  33 o 17 1.67794e+02 6.43144e+00 2.53510e+02 315.000 7.89944e+00  -7.89944e+00 0.00000e+00 0.00000e+00 1.59331e+02 315.000 9.41792e+01 135.000 1.0000 
1 1 1 15 0  34 o 2  2.70267e+01 1.65461e+01 1.15944e+02 180.000 -9.95005e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.55863e+01 0.000   1.81530e+02 0.000   0.7595 
1 1 1 15 0  35 o 2  1.46272e+02 6.71972e+00 1.65908e+02 225.000 -6.15731e+00 -6.15731e+00 0.00000e+00 0.00000e+00 1.91874e+02 225.000 2.59660e+01 225.000 1.0000 
1 1 1 15 0  36 o 12 1.13917e+02 8.23904e+00 1.22779e+02 270.000 -3.04084e-16 -4.96606e+00 0.00000e+00 0.00000e+00 1.54985e+02 270.000 3.22055e+01 270.000 0.9999 
1 1 1 15 0  37 o 17 8.50090e+01 1.02809e+01 1.29247e+02 135.000 -2.72468e+00 2.72468e+00  0.00000e+00 0.00000e+00 7.72128e+01 135.000 5.20340e+01 315.000 0.9991 
1 1 1 15 0  38 o 8  4.60634e+01 1.86347e+01 6.81537e+01 0.000   1.06976e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.99496e+01 0.000   4.82041e+01 180.000 0.7894 
1 1 1 15 0  39 o 7  6.20832e+01 1.51638e+01 7.54155e+01 225.000 -1.13411e+00 -1.13411e+00 0.00000e+00 0.00000e+00 6.28569e+01 225.000 1.25586e+01 45.000  0.9222 
1 1 1 15 0  40 o 2  1.56322e+02 6.57799e+00 1.37624e+02 90.000  6.12529e-16  1.00034e+01  0.00000e+00 0.00000e+00 2.38605e+02 90.000  1.00981e+02 90.000  1.0000 
1 1 1 15 0  41 o 12 2.85025e+01 1.68935e+01 1.30091e+01 315.000 1.17934e-01  -1.17934e-01 0.00000e+00 0.00000e+00 1.71238e+00 135.000 1.47215e+01 135.000 0.1653 
1 1 1 15 0  42 o 15 3.51700e+01 1.81043e+01 4.28660e+01 180.000 -6.77865e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.73383e+00 180.000 3.61322e+01 0.000   0.5901 
1 1 1 15 0  43 o 16 2.61762e+01 1.68715e+01 1.24149e+01 225.000 -1.00458e-01 -1.00458e-01 0.00000e+00 0.00000e+00 3.61935e+00 45.000  1.60343e+01 45.000  0.1411 
1 1 1 15 0  44 o 19 3.39103e+01 1.76884e+01 4.17595e+00 270.000 -4.27704e-18 -6.98494e-02 0.00000e+00 0.00000e+00 1.43359e+00 270.000 2.74236e+00 90.000  0.0697 
1 1 1 15 0  46 o 11 1.77296e+02 6.07399e+00 2.08311e+02 0.000   2.62438e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.09004e+02 0.000   6.92667e-01 0.000   1.0000 
1 1 1 15 0  47 f 0  3.75386e+01 1.79536e+01 9.70551e+01 45.000  1.49098e+00  1.49098e+00  0.00000e+00 0.00000e+00 1.16080e+01 225.000 1.08663e+02 225.000 0.9709 
1 1 1 15 0  48 o 9  7.79920e+01 1.03629e+01 9.20538e+01 270.000 -3.00609e-16 -4.90931e+00 0.00000e+00 0.00000e+00 9.00197e+01 270.000 2.03404e+00 90.000  0.9999 
1 1 1 15 0  49 o 9  4.50711e+01 1.73623e+01 3.62316e+01 135.000 -6.98839e-01 6.98839e-01  0.00000e+00 0.00000e+00 4.30577e+01 135.000 6.82610e+00 135.000 0.7566 
1 1 1 15 0  50 f 0  2.54307e+01 1.56398e+01 8.44725e+00 180.000 -1.51126e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.83159e-01 180.000 8.06409e+00 0.000   0.1500 
1 1 1 15 0  51 o 16 4.23500e+01 1.81281e+01 7.18433e+01 225.000 -1.37559e+00 -1.37559e+00 0.00000e+00 0.00000e+00 2.18666e+01 225.000 4.99767e+01 45.000  0.9600 
1 1 1 15 0  52 o 9  3.69094e+01 1.83324e+01 3.50310e+01 270.000 -5.57806e-17 -9.10966e-01 0.00000e+00 0.00000e+00 2.60886e+01 270.000 8.94236e+00 90.000  0.7216 
1 1 1 15 0  53 o 11 3.80532e+01 1.85727e+01 8.36842e+01 135.000 -1.56351e+00 1.56351e+00  0.00000e+00 0.00000e+00 1.18393e+00 135.000 8.25003e+01 315.000 0.9763 
1 1 1 15 0  54 o 13 4.45278e+01 1.76918e+01 1.61399e+00 180.000 -5.87656e-02 0.00000e+00  0.00000e+00 0.00000e+00 4.32940e+00 180.000 2.71540e+00 180.000 0.0587 
1 1 1 15 0  55 o 12 8.00431e+01 1.01598e+01 8.73571e+01 225.000 -5.65642e+00 -5.65642e+00 0.00000e+00 0.00000e+00 9.38021e+01 225.000 6.44505e+00 225.000 1.0000 
1 1 1 15 0  56 o 6  5.43727e+01 1.62345e+01 7.46922e+01 90.000  2.32462e-16  3.79639e+00  0.00000e+00 0.00000e+00 4.76567e+01 90.000  2.70355e+01 270.000 0.9990 
1 1 1 15 0  57 o 12 1.32757e+02 1.02169e+01 1.08368e+02 315.000 1.29657e+01  -1.29657e+01 0.00000e+00 0.00000e+00 1.89209e+02 315.000 8.08402e+01 315.000 1.0000 
1 1 1 15 0  58 o 19 1.59539e+02 9.38783e+00 1.27320e+02 180.000 -2.91122e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.28519e+02 180.000 1.01199e+02 180.000 1.0000 
1 1 1 15 1  0  o 6  2.01101e+02 5.83212e+00 1.22209e+02 0.000   2.64583e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.91257e+02 0.000   2.69048e+02 0.000   0.9900 
1 1 1 15 1  1  o 1  1.63999e+02 4.71878e+00 7.23997e+01 7.089   2.53192e+00  3.14864e-01  0.00000e+00 0.00000e+00 2.53476e+02 7.089   1.81076e+02 7.089   0.7705 
1 1 1 15 1  2  o 15 3.07399e+02 3.70075e+00 1.37754e+02 203.410 -8.35651e+00 -3.61797e+00 0.00000e+00 0.00000e+00 6.10045e+02 203.410 4.72291e+02 203.410 0.9434 
1 1 1 15 1  3  o 14 3.39028e+02 3.68437e+00 4.40895e+02 293.935 1.30059e+01  -2.93006e+01 0.00000e+00 0.00000e+00 4.19413e+02 293.935 2.14828e+01 113.935 0.9843 
1 1 1 15 1  4  o 6  3.81206e+02 3.71545e+00 5.70657e+02 347.231 4.53250e+01  -1.02719e+01 0.00000e+00 0.00000e+00 4.01209e+02 347.231 1.69448e+02 167.231 0.9892 
1 1 1 15 1  5  o 3  1.46072e+02 5.04472e+00 3.39221e+02 130.086 -6.76203e+00 8.03406e+00  0.00000e+00 0.00000e+00 1.87158e+01 130.086 3.20505e+02 310.086 0.9511 
1 1 1 15 1  6  o 18 5.52335e+02 4.43265e+00 7.12025e+02 83.377  9.57108e+00  8.24314e+01  0.00000e+00 0.00000e+00 7.01701e+02 83.377  1.03240e+01 263.377 0.9940 
1 1 1 15 1  7  o 1  7.94987e+01 8.65592e+00 3.23780e+01 125.464 -3.08348e-01 4.32867e-01  0.00000e+00 0.00000e+00 2.01580e+01 125.464 1.22200e+01 305.464 0.2568 
1 1 1 15 1  8  o 5  2.16434e+02 4.42380e+00 3.60152e+02 261.839 -2.46143e+00 -1.71633e+01 0.00000e+00 0.00000e+00 1.80216e+02 261.839 1.79936e+02 81.839  0.9707 
1 1 1 15 1  9  o 5  1.83263e+02 5.41678e+00 1.88530e+02 334.366 6.85072e+00  -3.28737e+00 0.00000e+00 0.00000e+00 2.50290e+02 334.366 6.17595e+01 334.366 0.9317 
1 1 1 15 1  10 o 6  1.40370e+02 5.70668e+00 1.82537e+02 241.988 -2.61922e+00 -4.92354e+00 0.00000e+00 0.00000e+00 1.43776e+02 241.988 3.87617e+01 61.988  0.9052 
1 1 1 15 1  11 o 5  2.67655e+02 4.12320e+00 3.70029e+02 217.757 -1.69395e+01 -1.31195e+01 0.00000e+00 0.00000e+00 3.00467e+02 217.757 6.95619e+01 37.757  0.9764 
1 1 1 15 1  12 o 8  9.37369e+01 8.08891e+00 1.58933e+02 130.056 -2.24766e+00 2.67332e+00  0.00000e+00 0.00000e+00 4.30591e+01 130.056 1.15874e+02 310.056 0.8407 
1 1 1 15 1  13 f 0  4.68474e+02 1.13609e+01 7.24492e+02 330.476 6.71592e+01  -3.80333e+01 0.00000e+00 0.00000e+00 4.67183e+02 330.476 2.57309e+02 150.476 0.9935 
1 1 1 15 1  14 o 8  4.03891e+01 1.12648e+01 5.52773e+01 284.208 1.31653e-01  -5.19980e-01 0.00000e+00 0.00000e+00 2.85260e+01 104.208 8.38033e+01 104.208 0.2590 
1 1 1 15 1  15 o 4  4.55067e+02 3.98494e+00 5.33447e+02 307.685 3.63843e+01  -4.71009e+01 0.00000e+00 0.00000e+00 6.19077e+02 307.685 8.56302e+01 307.685 0.9916 
1 1 1 15 1  16 o 15 4.71023e+02 4.18332e+00 4.95768e+02 248.874 -2.03137e+01 -5.25725e+01 0.00000e+00 0.00000e+00 6.95004e+02 248.874 1.99235e+02 248.874 0.9911 
1 1 1 15 1  17 o 19 2.94435e+02 4.02150e+00 3.92314e+02 206.013 -2.82580e+01 -1.37901e+01 0.00000e+00 0.00000e+00 3.45634e+02 206.013 4.66796e+01 26.013  0.9840 
1 1 1 15 1  18 o 1  5.18536e+02 4.24381e+00 4.96570e+02 102.401 -1.47981e+01 6.73018e+01  0.00000e+00 0.00000e+00 8.12624e+02 102.401 3.16054e+02 102.401 0.9927 
1 1 1 15 1  20 o 15 1.81020e+02 5.70158e+00 2.65814e+02 169.586 -1.52185e+01 2.79707e+00  0.00000e+00 0.00000e+00 1.77986e+02 169.586 8.78275e+01 349.586 0.9671 
1 1 1 15 1  21 o 13 3.50219e+02 4.29983e+00 3.90702e+02 46.048  3.01683e+01  3.12930e+01  0.00000e+00 0.00000e+00 4.85276e+02 46.048  9.45742e+01 46.048  0.9884 
1 1 1 15 1  22 o 13 9.51271e+01 9.15496e+00 6.41054e+01 187.295 -2.16056e+00 -2.76594e-01 0.00000e+00 0.00000e+00 1.10086e+02 187.295 4.59805e+01 187.295 0.7250 
1 1 1 15 1  23 o 1  3.12448e+02 4.52863e+00 3.27748e+02 321.552 2.77642e+01  -2.20436e+01 0.00000e+00 0.00000e+00 4.48719e+02 321.552 1.20972e+02 321.552 0.9858 
1 1 1 15 1  24 o 8  3.67050e+02 4.26038e+00 3.67406e+02 33.020  3.84170e+01  2.49671e+01  0.00000e+00 0.00000e+00 5.45891e+02 33.020  1.78485e+02 33.020  0.9890 
1 1 1 15 1  26 o 6  2.87137e+02 3.92405e+00 2.50099e+02 235.623 -1.69148e+01 -2.47251e+01 0.00000e+00 0.00000e+00 4.57067e+02 235.623 2.06968e+02 235.623 0.9832 
1 1 1 15 1  27 o 19 1.81981e+02 4.58798e+00 2.80510e+02 318.846 1.56618e+01  -1.36889e+01 0.00000e+00 0.00000e+00 1.63239e+02 318.846 1.17271e+02 138.846 0.9757 
1 1 1 15 1  28 o 7  1.04375e+02 6.90410e+00 1.03957e+02 303.659 2.74244e+00  -4.11856e+00 0.00000e+00 0.00000e+00 1.28223e+02 303.659 2.42653e+01 303.659 0.8922 
1 1 1 15 1  29 o 13 8.62430e+01 8.42896e+00 1.84234e+02 176.469 -7.00894e+00 4.32550e-01  0.00000e+00 0.00000e+00 1.43503e+01 176.469 1.69884e+02 356.468 0.9258 
1 1 1 15 1  30 f 0  4.15508e+01 9.50030e+00 9.65645e+01 119.674 -8.66056e-01 1.51993e+00  0.00000e+00 0.00000e+00 2.93530e+01 299.674 1.25918e+02 299.674 0.6520 
1 1 1 15 1  31 o 16 1.08210e+02 7.25227e+00 1.14887e+02 117.874 -2.86297e+00 5.41321e+00  0.00000e+00 0.00000e+00 1.29903e+02 117.874 1.50159e+01 117.874 0.9142 
1 1 1 15 1  32 f 0  1.49577e+02 5.48143e+00 3.10246e+02 71.108  8.52826e+00  2.49203e+01  0.00000e+00 0.00000e+00 5.17853e+01 71.108  2.58460e+02 251.108 0.9808 
1 1 1 15 1  33 o 18 1.49478e+02 5.29601e+00 1.65659e+02 132.825 -8.78311e+00 9.47669e+00  0.00000e+00 0.00000e+00 1.87635e+02 132.825 2.19757e+01 132.825 0.9605 
1 1 1 15 1  34 o 17 1.52366e+02 4.93824e+00 2.05464e+02 136.411 -1.57567e+01 1.49991e+01  0.00000e+00 0.00000e+00 1.59693e+02 136.411 4.57713e+01 316.411 0.9767 
1 1 1 15 1  35 o 8  1.29128e+02 5.28517e+00 2.22605e+02 152.405 -1.81657e+01 9.49463e+00  0.00000e+00 0.00000e+00 8.54837e+01 152.405 1.37121e+02 332.405 0.9753 
1 1 1 15 1  36 o 5  9.83253e+01 6.55779e+00 9.83734e+01 239.745 -3.42841e+00 -5.87751e+00 0.00000e+00 0.00000e+00 1.23032e+02 239.745 2.46587e+01 239.745 0.9233 
1 1 1 15 1  37 o 4  1.31801e+02 5.10816e+00 1.47185e+02 75.551  3.46905e+00  1.34629e+01  0.00000e+00 0.00000e+00 1.61504e+02 75.551  1.43193e+01 75.551  0.9633 
1 1 1 15 1  38 o 16 9.54752e+01 6.50630e+00 9.83348e+01 35.661  5.82150e+00  4.17724e+00  0.00000e+00 0.00000e+00 1.16222e+02 35.661  1.78877e+01 35.661  0.9273 
1 1 1 15 1  39 o 13 1.05365e+02 5.89454e+00 7.14147e+01 229.035 -3.61447e+00 -4.16305e+00 0.00000e+00 0.00000e+00 1.58661e+02 229.035 8.72466e+01 229.035 0.9041 
1 1 1 15 1  40 o 4  1.13538e+02 5.71960e+00 1.41269e+02 154.632 -1.32936e+01 6.30326e+00  0.00000e+00 0.00000e+00 1.22570e+02 154.632 1.86989e+01 334.632 0.9654 
1 1 1 15 1  41 o 1  9.17450e+01 6.83868e+00 2.78878e+01 37.075  2.04560e+00  1.54566e+00  0.00000e+00 0.00000e+00 1.41956e+02 37.075  1.14068e+02 37.075  0.7718 
1 1 1 15 1  42 o 2  1.32742e+02 5.19646e+00 1.97166e+02 333.610 2.46837e+01  -1.22478e+01 0.00000e+00 0.00000e+00 1.14295e+02 333.610 8.28704e+01 153.610 0.9817 
1 1 1 15 1  43 o 15 3.87336e+01 1.06613e+01 8.43695e+01 295.123 1.24881e+00  -2.66308e+00 0.00000e+00 0.00000e+00 1.00654e+01 115.123 9.44348e+01 115.123 0.8056 
1 1 1 15 1  44 o 10 3.72799e+01 9.97945e+00 3.65341e+01 223.771 -1.03814e+00 -9.94533e-01 0.00000e+00 0.00000e+00 1.47940e+01 223.771 2.17402e+01 43.771  0.5803 
1 1 1 15 1  46 o 18 7.52330e+01 7.88102e+00 8.89352e+01 163.350 -8.47995e+00 2.53602e+00  0.00000e+00 0.00000e+00 7.78449e+01 163.350 1.10903e+01 343.350 0.9417 
1 1 1 15 1  47 o 19 5.74805e+01 9.31580e+00 1.07689e+02 249.083 -2.84194e+00 -7.43558e+00 0.00000e+00 0.00000e+00 1.83114e+01 249.083 8.93771e+01 69.083  0.9349 
1 1 1 15 1  48 o 18 4.96360e+01 9.71559e+00 8.35638e+01 284.200 1.30521e+00  -5.15797e+00 0.00000e+00 0.00000e+00 2.07881e+01 284.200 6.27757e+01 104.200 0.9003 
1 1 1 15 1  49 o 12 1.16881e+02 5.24595e+00 1.47744e+02 164.715 -2.43619e+01 6.65789e+00  0.00000e+00 0.00000e+00 1.18609e+02 164.715 2.91350e+01 344.715 0.9800 
1 1 1 15 1  50 o 14 8.31727e+01 6.85056e+00 6.99621e+01 252.338 -2.82844e+00 -8.88301e+00 0.00000e+00 0.00000e+00 1.11977e+02 252.338 4.20151e+01 252.338 0.9447 
1 1 1 15 1  51 o 5  1.00430e+02 6.15767e+00 1.38936e+02 142.320 -1.73352e+01 1.33886e+01  0.00000e+00 0.00000e+00 8.72449e+01 142.320 5.16915e+01 322.320 0.9769 
1 1 1 15 1  52 o 8  8.58224e+01 6.99217e+00 1.21680e+02 113.286 -7.19766e+00 1.67238e+01  0.00000e+00 0.00000e+00 6.98075e+01 113.286 5.18728e+01 293.286 0.9721 
1 1 1 15 1  53 o 1  1.19116e+02 5.46080e+00 1.20966e+02 359.789 2.58339e+01  -9.52743e-02 0.00000e+00 0.00000e+00 1.45868e+02 359.789 2.49019e+01 359.789 0.9805 
1 1 1 15 1  54 f 0  1.31004e+02 5.08525e+00 8.68627e+01 162.199 -2.33793e+01 7.50660e+00  0.00000e+00 0.00000e+00 2.04944e+02 162.199 1.18081e+02 162.199 0.9794 
1 1 1 15 1  55 o 14 7.45574e+01 8.18592e+00 1.20185e+02 301.613 1.03256e+01  -1.67753e+01 0.00000e+00 0.00000e+00 4.42411e+01 301.613 7.59442e+01 121.613 0.9743 
1 1 1 15 1  56 o 15 4.07682e+01 1.02117e+01 4.64770e+01 269.529 -3.08685e-02 -3.75692e+00 0.00000e+00 0.00000e+00 3.19085e+01 269.529 1.45685e+01 89.529  0.8535 
1 1 1 15 1  57 o 9  4.18584e+01 1.12129e+01 3.39113e+01 68.968  1.07232e+00  2.78886e+00  0.00000e+00 0.00000e+00 4.20130e+01 68.968  8.10169e+00 68.968  0.8091 
1 1 1 15 1  58 o 17 5.40844e+01 1.12061e+01 5.59692e+01 206.661 -6.14703e+00 -3.08639e+00 0.00000e+00 0.00000e+00 5.55273e+01 206.661 4.41859e-01 26.661  0.9241 
1 1 1 15 2  0  o 7  5.08182e+02 5.76103e+00 6.57220e+02 0.000   3.56212e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.53997e+02 0.000   3.22283e+00 180.000 1.0000 
1 1 1 15 2  1  o 15 2.95349e+02 3.73526e+00 3.75152e+02 184.986 -2.35497e+01 -2.05457e+00 0.00000e+00 0.00000e+00 3.70581e+02 184.986 4.57077e+00 4.986   0.9786 
1 1 1 15 2  2  o 11 4.25533e+02 3.82968e+00 5.00398e+02 279.337 7.35716e+00  -4.47462e+01 0.00000e+00 0.00000e+00 5.85205e+02 279.337 8.48077e+01 279.337 0.9889 
1 1 1 15 2  3  o 16 2.32004e+02 3.95403e+00 3.36260e+02 89.363  1.84019e-01  1.65638e+01  0.00000e+00 0.00000e+00 2.43774e+02 89.363  9.24864e+01 269.363 0.9693 
1 1 1 15 2  4  o 5  4.53382e+02 3.91254e+00 5.65404e+02 227.632 -3.65451e+01 -4.00673e+01 0.00000e+00 0.00000e+00 5.92781e+02 227.632 2.73770e+01 227.632 0.9907 
1 1 1 15 2  5  o 19 9.66690e+01 7.02976e+00 1.57454e+02 255.386 -8.01118e-01 -3.07244e+00 0.00000e+00 0.00000e+00 4.73898e+01 255.386 1.10064e+02 75.386  0.8221 
1 1 1 15 2  6  o 10 3.15808e+02 3.89899e+00 3.53724e+02 270.418 1.70674e-01  -2.33814e+01 0.00000e+00 0.00000e+00 4.42269e+02 270.418 8.85445e+01 270.418 0.9784 
1 1 1 15 2  7  o 10 2.30652e+02 3.98323e+00 2.08969e+02 274.351 8.13349e-01  -1.06895e+01 0.00000e+00 0.00000e+00 3.56488e+02 274.351 1.47519e+02 274.351 0.9522 
1 1 1 15 2  8  o 12 3.46034e+02 3.88342e+00 3.77627e+02 153.028 -2.57129e+01 1.30853e+01  0.00000e+00 0.00000e+00 4.97182e+02 153.028 1.19554e+02 153.028 0.9825 
1 1 1 15 2  9  o 17 2.36655e+02 4.27370e+00 2.88733e+02 341.256 1.41525e+01  -4.80249e+00 0.00000e+00 0.00000e+00 2.99034e+02 341.256 1.03013e+01 341.256 0.9659 
1 1 1 15 2  10 o 12 2.58229e+02 4.19473e+00 2.87554e+02 252.966 -4.71370e+00 -1.53855e+01 0.00000e+00 0.00000e+00 3.54908e+02 252.966 6.73539e+01 252.966 0.9684 
1 1 1 15 2  11 o 18 6.44647e+02 5.03693e+00 8.22912e+02 351.531 1.24860e+02  -1.85918e+01 0.00000e+00 0.00000e+00 8.25187e+02 351.531 2.27496e+00 351.531 0.9960 
1 1 1 15 2  13 o 14 2.34586e+02 4.33499e+00 3.09444e+02 91.259  -3.71669e-01 1.69128e+01  0.00000e+00 0.00000e+00 2.73400e+02 91.259  3.60436e+01 271.259 0.9700 
1 1 1 15 2  14 o 7  4.93118e+02 4.09664e+00 6.10673e+02 329.497 6.39668e+01  -3.76834e+01 0.00000e+00 0.00000e+00 6.42437e+02 329.497 3.17639e+01 329.497 0.9932 
1 1 1 15 2  15 o 6  3.36378e+02 3.92436e+00 4.31358e+02 188.554 -3.48879e+01 -5.24770e+00 0.00000e+00 0.00000e+00 4.15915e+02 188.554 1.54427e+01 8.554   0.9857 
1 1 1 15 2  16 o 13 1.06007e+02 7.16354e+00 1.71679e+02 63.849  2.17319e+00  4.42601e+00  0.00000e+00 0.00000e+00 6.95552e+01 63.849  1.02124e+02 243.849 0.8918 
1 1 1 15 2  17 o 4  1.46669e+02 5.43640e+00 3.12530e+01 232.207 -7.55057e-01 -9.73670e-01 0.00000e+00 0.00000e+00 1.64075e+02 232.207 1.32822e+02 232.207 0.5226 
1 1 1 15 2  18 o 16 3.22642e+02 3.96996e+00 3.68062e+02 204.581 -3.05221e+01 -1.39622e+01 0.00000e+00 0.00000e+00 4.40544e+02 204.581 7.24821e+01 204.581 0.9850 
1 1 1 15 2  20 o 3  2.52342e+02 4.38212e+00 2.72301e+02 180.948 -2.20494e+01 -3.64716e-01 0.00000e+00 0.00000e+00 3.52975e+02 180.948 8.06739e+01 180.948 0.9771 
1 1 1 15 2  21 o 6  2.13840e+02 4.67782e+00 2.72440e+02 274.104 1.31323e+00  -1.83002e+01 0.00000e+00 0.00000e+00 2.53948e+02 274.104 1.84913e+01 94.105  0.9724 
1 1 1 15 2  22 o 6  4.32554e+02 4.26664e+00 5.31669e+02 174.352 -8.36491e+01 8.27305e+00  0.00000e+00 0.00000e+00 5.54829e+02 174.352 2.31597e+01 174.352 0.9940 
1 1 1 15 2  23 o 15 1.49922e+02 6.12013e+00 2.03749e+02 126.916 -6.26084e+00 8.33365e+00  0.00000e+00 0.00000e+00 1.55732e+02 126.916 4.80168e+01 306.916 0.9507 
1 1 1 15 2  24 o 15 2.60536e+02 5.21359e+00 2.37796e+02 296.256 9.21150e+00  -1.86743e+01 0.00000e+00 0.00000e+00 4.02000e+02 296.256 1.64204e+02 296.256 0.9757 
1 1 1 15 2  26 o 1  7.65561e+01 9.94757e+00 1.47736e+02 358.966 4.49203e+00  -8.10981e-02 0.00000e+00 0.00000e+00 2.11182e+01 358.966 1.26618e+02 178.966 0.8801 
1 1 1 15 2  27 o 7  8.44736e+01 8.80788e+00 1.61512e+02 89.808  2.08078e-02  6.19944e+00  0.00000e+00 0.00000e+00 3.18210e+01 89.808  1.29691e+02 269.808 0.9154 
1 1 1 15 2  28 o 3  1.36162e+02 5.74359e+00 8.47547e+01 38.706  4.12671e+00  3.30679e+00  0.00000e+00 0.00000e+00 2.20811e+02 38.706  1.36056e+02 38.706  0.8997 
1 1 1 15 2  29 o 5  3.55289e+02 4.24314e+00 3.65600e+02 42.065  4.36326e+01  3.93763e+01  0.00000e+00 0.00000e+00 5.10906e+02 42.065  1.45306e+02 42.065  0.9915 
1 1 1 15 2  30 o 3  6.54049e+01 1.16697e+01 6.66213e+01 251.978 -5.70265e-01 -1.75282e+00 0.00000e+00 0.00000e+00 4.21865e+01 251.978 2.44348e+01 71.978  0.6703 
1 1 1 15 2  31 o 16 1.09974e+02 6.89048e+00 1.40941e+02 3.534   7.60229e+00  4.69441e-01  0.00000e+00 0.00000e+00 1.12735e+02 3.534   2.82060e+01 183.533 0.9318 
1 1 1 15 2  32 o 15 1.20018e+02 6.34349e+00 1.64124e+02 323.639 8.89205e+00  -6.54632e+00 0.00000e+00 0.00000e+00 1.18412e+02 323.639 4.57122e+01 143.639 0.9536 
1 1 1 15 2  33 o 6  3.73193e+02 4.04029e+00 2.94362e+02 255.311 -1.45638e+01 -5.55569e+01 0.00000e+00 0.00000e+00 6.16333e+02 255.311 3.21972e+02 255.311 0.9913 
1 1 1 15 2  34 o 10 1.63981e+02 4.72498e+00 3.01035e+02 325.528 2.81871e+01  -1.93519e+01 0.00000e+00 0.00000e+00 9.55578e+01 325.528 2.05477e+02 145.528 0.9853 
1 1 1 15 2  35 o 2  1.66820e+02 4.67048e+00 1.33742e+02 167.207 -1.55196e+01 3.52395e+00  0.00000e+00 0.00000e+00 2.61490e+02 167.207 1.27747e+02 167.207 0.9681 
1 1 1 15 2  36 o 19 7.72531e+01 8.99268e+00 1.16395e+02 39.709  4.69144e+00  3.89614e+00  0.00000e+00 0.00000e+00 5.58592e+01 39.709  6.05362e+01 219.709 0.9139 
1 1 1 15 2  37 o 11 9.22248e+01 7.23994e+00 1.51925e+02 80.105  1.67903e+00  9.62577e+00  0.00000e+00 0.00000e+00 6.05800e+01 80.105  9.13452e+01 260.105 0.9474 
1 1 1 15 2  38 o 11 2.42662e+02 3.94279e+00 2.85071e+02 157.250 -4.96863e+01 2.08349e+01  0.00000e+00 0.00000e+00 2.97752e+02 157.250 1.26811e+01 157.250 0.9907 
1 1 1 15 2  39 o 8  3.80649e+01 1.07024e+01 3.09924e+01 330.937 8.81264e-01  -4.89758e-01 0.00000e+00 0.00000e+00 1.03326e+01 330.937 2.06598e+01 150.937 0.4493 
1 1 1 15 2  40 f 0  3.67350e+01 1.02294e+01 6.31563e+01 80.179  3.03983e-01  1.75607e+00  0.00000e+00 0.00000e+00 4.89835e+00 260.179 6.80547e+01 260.179 0.6586 
1 1 1 15 2  41 o 7  4.53518e+01 1.09358e+01 6.43599e+01 194.711 -2.59150e+00 -6.80387e-01 0.00000e+00 0.00000e+00 2.08745e+01 194.711 4.34855e+01 14.711  0.7832 
1 1 1 15 2  42 o 17 7.49001e+01 8.11787e+00 8.19607e+01 76.178  1.46612e+00  5.95907e+00  0.00000e+00 0.00000e+00 8.18123e+01 76.178  1.48472e-01 256.178 0.9144 
1 1 1 15 2  43 o 1  1.43161e+02 6.07098e+00 1.75207e+02 207.197 -2.17905e+01 -1.11971e+01 0.00000e+00 0.00000e+00 1.58826e+02 207.197 1.63805e+01 27.197  0.9794 
1 1 1 15 2  44 o 5  1.85734e+02 4.13756e+00 2.22278e+02 329.746 4.52537e+01  -2.63957e+01 0.00000e+00 0.00000e+00 2.14331e+02 329.746 7.94692e+00 149.746 0.9904 
1 1 1 15 2  46 o 11 1.00496e+02 6.10728e+00 1.33270e+02 10.189  1.80709e+01  3.24804e+00  0.00000e+00 0.00000e+00 9.68714e+01 10.189  3.63982e+01 190.189 0.9724 
1 1 1 15 2  47 o 11 1.26634e+02 5.01129e+00 1.33747e+02 71.898  7.14825e+00  2.18680e+01  0.00000e+00 0.00000e+00 1.56768e+02 71.898  2.30212e+01 71.898  0.9780 
1 1 1 15 2  48 o 12 7.79149e+01 7.32906e+00 1.21910e+02 111.215 -4.67875e+00 1.20534e+01  0.00000e+00 0.00000e+00 5.29201e+01 111.215 6.89897e+01 291.215 0.9605 
1 1 1 15 2  49 o 1  9.54280e+01 6.00065e+00 1.19970e+02 96.728  -2.20207e+00 1.86676e+01  0.00000e+00 0.00000e+00 9.60402e+01 96.728  2.39296e+01 276.728 0.9730 
1 1 1 15 2  50 o 12 1.34432e+02 4.75141e+00 1.20885e+02 120.389 -1.37450e+01 2.34381e+01  0.00000e+00 0.00000e+00 1.84733e+02 120.389 6.38487e+01 120.389 0.9814 
1 1 1 15 2  51 f 0  1.37646e+02 5.07062e+00 1.02297e+02 303.867 1.46819e+01  -2.18765e+01 0.00000e+00 0.00000e+00 2.09081e+02 303.867 1.06785e+02 303.867 0.9808 
1 1 1 15 2  52 o 2  6.61934e+01 9.18773e+00 6.98713e+01 247.846 -2.83048e+00 -6.95185e+00 0.00000e+00 0.00000e+00 7.15975e+01 247.846 1.72622e+00 247.846 0.9308 
1 1 1 15 2  53 o 10 5.70801e+01 9.75171e+00 8.36899e+01 317.657 6.09931e+00  -5.55835e+00 0.00000e+00 0.00000e+00 3.85998e+01 317.657 4.50901e+01 137.657 0.9373 
1 1 1 15 2  54 o 18 1.26212e+02 6.39596e+00 1.33080e+02 311.815 2.32336e+01  -2.59715e+01 0.00000e+00 0.00000e+00 1.49931e+02 311.815 1.68509e+01 311.815 0.9855 
1 1 1 15 2  55 o 5  8.50755e+01 7.20778e+00 6.75473e+01 130.014 -8.41502e+00 1.00235e+01  0.00000e+00 0.00000e+00 1.17598e+02 130.014 5.00508e+01 130.014 0.9610 
1 1 1 15 2  56 o 5  4.10181e+01 1.04151e+01 4.54926e+01 177.556 -3.98650e+00 1.70150e-01  0.00000e+00 0.00000e+00 3.42999e+01 177.556 1.11928e+01 357.556 0.8631 
1 1 1 15 2  57 o 2  3.29723e+01 1.03710e+01 7.20181e+01 135.907 -3.74201e+00 3.62532e+00  0.00000e+00 0.00000e+00 5.60834e+00 315.907 7.76264e+01 315.907 0.8980 
1 1 1 15 2  58 o 17 4.49960e+01 1.04483e+01 5.10830e+01 212.597 -4.58088e+00 -2.92924e+00 0.00000e+00 0.00000e+00 3.95560e+01 212.597 1.15270e+01 32.597  0.9026 
1 1 1 15 3  0  o 18 8.29800e+01 1.21703e+01 5.66872e+01 0.000   4.86369e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.00139e+01 0.000   1.66733e+01 180.000 0.4513 
1 1 1 15 3  1  o 18 6.10478e+02 4.51474e+00 6.68296e+02 155.040 -7.75590e+01 3.60999e+01  0.00000e+00 0.00000e+00 8.98677e+02 155.040 2.30382e+02 155.040 0.9941 
1 1 1 15 3  2  o 6  2.53178e+02 3.89906e+00 2.10965e+02 216.960 -8.94761e+00 -6.73268e+00 0.00000e+00 0.00000e+00 4.12734e+02 216.960 2.01769e+02 216.960 0.9542 
1 1 1 15 3  3  o 9  1.53333e+02 5.03664e+00 1.16650e+02 185.057 -3.97449e+00 -3.51692e-01 0.00000e+00 0.00000e+00 2.24945e+02 185.057 1.08294e+02 185.057 0.8631 
1 1 1 15 3  4  o 8  3.17936e+02 3.74104e+00 4.38712e+02 261.226 -4.74484e+00 -3.07425e+01 0.00000e+00 0.00000e+00 3.68350e+02 261.226 7.03625e+01 81.226  0.9838 
1 1 1 15 3  5  o 8  1.89643e+02 4.38846e+00 3.58980e+02 15.768  1.45227e+01  4.10077e+00  0.00000e+00 0.00000e+00 1.13663e+02 15.768  2.45316e+02 195.768 0.9663 
1 1 1 15 3  6  f 0  3.06344e+02 3.77118e+00 2.65505e+02 253.090 -5.22278e+00 -1.71793e+01 0.00000e+00 0.00000e+00 5.01943e+02 253.090 2.36439e+02 253.090 0.9717 
1 1 1 15 3  7  o 5  4.98697e+01 1.15109e+01 1.29713e+02 139.255 -1.04013e+00 8.96074e-01  0.00000e+00 0.00000e+00 5.73574e+01 319.255 1.87070e+02 319.255 0.5631 
1 1 1 15 3  8  o 17 5.00572e+02 4.09334e+00 4.66053e+02 201.946 -4.70732e+01 -1.89673e+01 0.00000e+00 0.00000e+00 8.10120e+02 201.946 3.44067e+02 201.946 0.9901 
1 1 1 15 3  9  o 1  2.53877e+02 4.17591e+00 1.53447e+02 32.739  7.85978e+00  5.05338e+00  0.00000e+00 0.00000e+00 4.63778e+02 32.739  3.10331e+02 32.739  0.9449 
1 1 1 15 3  11 o 10 1.51018e+02 6.05287e+00 1.80316e+02 8.404   6.30217e+00  9.31124e-01  0.00000e+00 0.00000e+00 1.75687e+02 8.404   4.62944e+00 188.404 0.9178 
1 1 1 15 3  12 o 4  2.17379e+02 4.92252e+00 1.91229e+02 53.561  6.14362e+00  8.32104e+00  0.00000e+00 0.00000e+00 3.38886e+02 53.561  1.47656e+02 53.561  0.9504 
1 1 1 15 3  13 o 17 3.80370e+02 4.50139e+00 4.29980e+02 302.878 2.18466e+01  -3.37980e+01 0.00000e+00 0.00000e+00 5.32828e+02 302.878 1.02847e+02 302.878 0.9875 
1 1 1 15 3  14 o 14 4.66568e+02 4.21356e+00 6.04602e+02 21.001  6.39968e+01  2.45680e+01  0.00000e+00 0.00000e+00 5.81209e+02 21.001  2.33931e+01 201.001 0.9927 
1 1 1 15 3  15 f 0  2.76096e+02 4.11851e+00 2.57157e+02 235.727 -1.09758e+01 -1.61061e+01 0.00000e+00 0.00000e+00 4.30494e+02 235.727 1.73337e+02 235.727 0.9740 
1 1 1 15 3  16 o 9  3.81598e+02 4.05041e+00 3.47050e+02 250.203 -1.21367e+01 -3.37174e+01 0.00000e+00 0.00000e+00 6.13737e+02 250.203 2.66687e+02 250.203 0.9859 
1 1 1 15 3  17 o 16 2.30003e+02 4.19528e+00 3.30604e+02 163.286 -2.06333e+01 6.19580e+00  0.00000e+00 0.00000e+00 2.42139e+02 163.286 8.84648e+01 343.286 0.9765 
1 1 1 15 3  19 o 12 2.07292e+02 4.31727e+00 2.10874e+02 329.720 1.21754e+01  -7.10907e+00 0.00000e+00 0.00000e+00 2.97048e+02 329.720 8.61740e+01 329.720 0.9639 
1 1 1 15 3  20 o 14 5.49073e+02 4.44852e+00 8.10398e+02 103.339 -3.25389e+01 1.37229e+02  0.00000e+00 0.00000e+00 5.78132e+02 103.339 2.32267e+02 283.339 0.9964 
1 1 1 15 3  21 o 6  1.45775e+02 5.85054e+00 2.92248e+02 162.884 -1.48648e+01 4.57741e+00  0.00000e+00 0.00000e+00 6.49792e+01 162.884 2.27269e+02 342.884 0.9673 
1 1 1 15 3  22 o 2  2.62128e+02 4.39130e+00 3.47468e+02 104.889 -8.10670e+00 3.04911e+01  0.00000e+00 0.00000e+00 3.04782e+02 104.889 4.26854e+01 284.889 0.9840 
1 1 1 15 3  23 o 3  3.00131e+02 4.43321e+00 3.86258e+02 44.065  2.83101e+01  2.74010e+01  0.00000e+00 0.00000e+00 3.61535e+02 44.065  2.47233e+01 224.065 0.9872 
1 1 1 15 3  25 o 12 4.39922e+01 1.16446e+01 1.02291e+02 257.420 -3.85601e-01 -1.72790e+00 0.00000e+00 0.00000e+00 2.97334e+01 77.420  1.32025e+02 77.420  0.6562 
1 1 1 15 3  26 o 15 2.51107e+02 4.27342e+00 2.72042e+02 270.110 5.39283e-02  -2.79716e+01 0.00000e+00 0.00000e+00 3.46331e+02 270.110 7.42885e+01 270.110 0.9820 
1 1 1 15 3  27 o 18 2.94630e+02 4.26755e+00 3.25249e+02 306.835 2.67554e+01  -3.57191e+01 0.00000e+00 0.00000e+00 4.03641e+02 306.835 7.83923e+01 306.835 0.9887 
1 1 1 15 3  28 o 9  3.28259e+02 4.33483e+00 3.26848e+02 340.278 4.61838e+01  -1.65562e+01 0.00000e+00 0.00000e+00 4.84151e+02 340.278 1.57303e+02 340.278 0.9898 
1 1 1 15 3  29 o 5  2.23378e+02 4.93651e+00 1.90250e+02 169.397 -1.89918e+01 3.55539e+00  0.00000e+00 0.00000e+00 3.51381e+02 169.397 1.61131e+02 169.397 0.9738 
1 1 1 15 3  30 o 9  2.45203e+02 4.82316e+00 2.62718e+02 64.396  1.40489e+01  2.93167e+01  0.00000e+00 0.00000e+00 3.36856e+02 64.396  7.41385e+01 64.396  0.9845 
1 1 1 15 3  31 o 16 6.05068e+01 1.10918e+01 9.41335e+01 57.620  1.63528e+00  2.57882e+00  0.00000e+00 0.00000e+00 2.78552e+01 57.620  6.62783e+01 237.620 0.8139 
1 1 1 15 3  32 o 15 2.06924e+02 4.46289e+00 2.30161e+02 197.465 -2.40109e+01 -7.55468e+00 0.00000e+00 0.00000e+00 2.70779e+02 197.465 4.06178e+01 197.465 0.9799 
1 1 1 15 3  33 o 2  9.70101e+01 7.37014e+00 1.35899e+02 189.050 -8.88838e+00 -1.41579e+00 0.00000e+00 0.00000e+00 8.93944e+01 189.050 4.65050e+01 9.050   0.9427 
1 1 1 15 3  34 o 4  1.59376e+02 4.89403e+00 1.32650e+02 205.205 -1.38035e+01 -6.49703e+00 0.00000e+00 0.00000e+00 2.45790e+02 205.205 1.13140e+02 205.205 0.9666 
1 1 1 15 3  35 o 10 6.96241e+01 9.50352e+00 1.64564e+02 155.938 -7.13048e+00 3.18395e+00  0.00000e+00 0.00000e+00 5.36919e+00 335.938 1.69933e+02 335.938 0.9336 
1 1 1 15 3  36 o 2  1.30998e+02 5.49865e+00 1.70661e+02 55.721  9.07541e+00  1.33146e+01  0.00000e+00 0.00000e+00 1.39102e+02 55.721  3.15596e+01 235.721 0.9685 
1 1 1 15 3  37 o 1  1.80170e+02 4.46454e+00 2.38469e+02 340.896 3.19584e+01  -1.10689e+01 0.00000e+00 0.00000e+00 1.93529e+02 340.896 4.49405e+01 160.896 0.9851 
1 1 1 15 3  38 o 3  7.63962e+01 8.56291e+00 6.36652e+01 44.301  2.49070e+00  2.43063e+00  0.00000e+00 0.00000e+00 9.20368e+01 44.301  2.83716e+01 44.301  0.8401 
1 1 1 15 3  39 o 2  9.72068e+01 7.06326e+00 1.04163e+02 103.070 -2.08213e+00 8.96896e+00  0.00000e+00 0.00000e+00 1.17733e+02 103.070 1.35702e+01 103.070 0.9440 
1 1 1 15 3  40 o 1  1.14809e+02 6.11623e+00 1.66347e+02 153.402 -1.38854e+01 6.95275e+00  0.00000e+00 0.00000e+00 1.01264e+02 153.402 6.50826e+01 333.402 0.9672 
1 1 1 15 3  41 o 4  1.92541e+02 4.41002e+00 2.45298e+02 89.392  5.13339e-01  4.83869e+01  0.00000e+00 0.00000e+00 2.12273e+02 89.392  3.30256e+01 269.392 0.9896 
1 1 1 15 3  42 o 10 1.43846e+02 5.05707e+00 1.98255e+02 208.338 -2.52500e+01 -1.36174e+01 0.00000e+00 0.00000e+00 1.39896e+02 208.338 5.83586e+01 28.338  0.9824 
1 1 1 15 3  43 o 4  1.20412e+02 5.62346e+00 1.60269e+02 280.612 4.14926e+00  -2.21466e+01 0.00000e+00 0.00000e+00 1.20361e+02 280.612 3.99080e+01 100.612 0.9776 
1 1 1 15 3  44 o 10 3.28183e+01 1.01583e+01 4.47794e+00 310.731 1.07087e-01  -1.24364e-01 0.00000e+00 0.00000e+00 1.89696e+00 310.731 2.58098e+00 130.731 0.0818 
1 1 1 15 3  45 o 6  1.04215e+02 6.36132e+00 8.35156e+01 277.575 1.59018e+00  -1.19575e+01 0.00000e+00 0.00000e+00 1.52611e+02 277.575 6.90952e+01 277.575 0.9576 
1 1 1 15 3  46 o 10 6.35446e+01 9.41790e+00 4.44303e+01 307.490 2.22837e+00  -2.90512e+00 0.00000e+00 0.00000e+00 8.27333e+01 307.490 3.83030e+01 307.490 0.8491 
1 1 1 15 3  47 o 7  6.36120e+01 8.88855e+00 8.43390e+01 107.094 -1.96146e+00 6.37827e+00  0.00000e+00 0.00000e+00 5.32880e+01 107.094 3.10511e+01 287.094 0.9217 
1 1 1 15 3  48 o 9  8.20060e+01 6.92534e+00 1.23807e+02 117.989 -6.82353e+00 1.28393e+01  0.00000e+00 0.00000e+00 6.11888e+01 117.989 6.26182e+01 297.989 0.9650 
1 1 1 15 3  49 o 2  9.90594e+01 6.03324e+00 9.71332e+01 282.509 3.40003e+00  -1.53247e+01 0.00000e+00 0.00000e+00 1.26006e+02 282.509 2.88729e+01 282.509 0.9676 
1 1 1 15 3  50 o 9  9.57066e+01 6.12321e+00 6.36298e+01 59.001  4.99644e+00  8.31565e+00  0.00000e+00 0.00000e+00 1.46460e+02 59.001  8.28299e+01 59.001  0.9470 
1 1 1 15 3  51 o 3  8.35912e+01 7.19112e+00 4.98508e+01 66.495  2.92896e+00  6.73450e+00  0.00000e+00 0.00000e+00 1.29415e+02 66.495  7.95644e+01 66.495  0.9292 
1 1 1 15 3  52 o 7  1.59930e+02 5.47320e+00 1.59996e+02 325.539 3.83713e+01  -2.63337e+01 0.00000e+00 0.00000e+00 2.03517e+02 325.539 4.35213e+01 325.539 0.9892 
1 1 1 15 3  53 o 1  6.80214e+01 9.43268e+00 4.66933e+01 307.348 3.35356e+00  -4.39447e+00 0.00000e+00 0.00000e+00 9.40138e+01 307.348 4.73205e+01 307.348 0.9043 
1 1 1 15 3  54 o 15 9.90096e+01 6.48392e+00 1.10055e+02 141.400 -1.86005e+01 1.48486e+01  0.00000e+00 0.00000e+00 1.10587e+02 141.400 5.31540e-01 141.400 0.9788 
1 1 1 15 3  55 o 17 2.48460e+01 8.31696e+00 5.92378e+01 311.349 2.11075e+00  -2.39846e+00 0.00000e+00 0.00000e+00 1.28746e+01 131.349 7.21124e+01 131.349 0.8234 
1 1 1 15 3  56 o 18 9.93495e+01 6.44342e+00 9.87590e+01 177.772 -2.48823e+01 9.67985e-01  0.00000e+00 0.00000e+00 1.20762e+02 177.772 2.20033e+01 177.772 0.9797 
1 1 1 15 3  57 o 3  5.83951e+01 1.09818e+01 6.68217e+01 50.692  5.17293e+00  6.31835e+00  0.00000e+00 0.00000e+00 5.59301e+01 50.692  1.08916e+01 230.692 0.9366 
1 1 1 15 4  0  o 15 1.19832e+02 8.67779e+00 1.19566e+02 180.000 -1.56770e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.64342e+02 180.000 4.47752e+01 180.000 0.9167 
1 1 1 15 4  1  o 17 4.93291e+01 1.18185e+01 9.31284e+01 203.781 -8.93717e-01 -3.93822e-01 0.00000e+00 0.00000e+00 3.72806e+01 23.781  1.30409e+02 23.781  0.4381 
1 1 1 15 4  2  o 15 3.46743e+02 3.78523e+00 5.86225e+02 39.650  3.44076e+01  2.85154e+01  0.00000e+00 0.00000e+00 2.99736e+02 39.650  2.86490e+02 219.650 0.9887 
1 1 1 15 4  3  o 16 7.83839e+02 5.38527e+00 8.06508e+02 123.891 -7.69845e+01 1.14604e+02  0.00000e+00 0.00000e+00 1.21128e+03 123.891 4.04772e+02 123.891 0.9964 
1 1 1 15 4  4  o 2  2.29287e+02 4.07707e+00 2.72720e+02 165.681 -1.32322e+01 3.37762e+00  0.00000e+00 0.00000e+00 2.97377e+02 165.681 2.46575e+01 165.681 0.9627 
1 1 1 15 4  5  o 9  1.99184e+02 4.35073e+00 3.07002e+02 155.034 -1.20453e+01 5.60822e+00  0.00000e+00 0.00000e+00 1.87510e+02 155.034 1.19492e+02 335.034 0.9616 
1 1 1 15 4  6  o 1  4.67411e+02 4.00880e+00 5.52275e+02 234.243 -3.62836e+01 -5.03885e+01 0.00000e+00 0.00000e+00 6.44175e+02 234.243 9.18997e+01 234.243 0.9919 
1 1 1 15 4  7  o 6  1.09092e+02 2.17037e+01 1.69108e+02 162.978 -3.69797e+00 1.13217e+00  0.00000e+00 0.00000e+00 7.23659e+01 162.978 9.67422e+01 342.978 0.8582 
1 1 1 15 4  9  o 8  3.03893e+02 3.84579e+00 3.11722e+02 285.787 6.06940e+00  -2.14675e+01 0.00000e+00 0.00000e+00 4.53236e+02 285.787 1.41513e+02 285.787 0.9773 
1 1 1 15 4  10 o 19 4.94464e+02 4.28619e+00 6.78041e+02 108.607 -2.67173e+01 7.93586e+01  0.00000e+00 0.00000e+00 5.86836e+02 108.607 9.12051e+01 288.607 0.9940 
1 1 1 15 4  11 o 14 8.60443e+01 8.57603e+00 1.10183e+02 182.170 -2.30123e+00 -8.71967e-02 0.00000e+00 0.00000e+00 5.39161e+01 182.170 5.62665e+01 2.170   0.7417 
1 1 1 15 4  12 o 7  8.69299e+01 9.08822e+00 7.54375e+01 17.180  1.50084e+00  4.64026e-01  0.00000e+00 0.00000e+00 6.14800e+01 17.180  1.39574e+01 197.180 0.6132 
1 1 1 15 4  13 o 1  2.48078e+02 4.21499e+00 1.98424e+02 247.184 -5.27849e+00 -1.25471e+01 0.00000e+00 0.00000e+00 4.14258e+02 247.184 2.15834e+02 247.184 0.9625 
1 1 1 15 4  14 o 9  2.72106e+02 4.15210e+00 3.50374e+02 175.026 -2.59371e+01 2.25742e+00  0.00000e+00 0.00000e+00 3.33468e+02 175.026 1.69061e+01 355.026 0.9806 
1 1 1 15 4  15 o 19 2.84906e+02 4.25158e+00 3.72231e+02 287.076 8.38710e+00  -2.73032e+01 0.00000e+00 0.00000e+00 3.44147e+02 287.076 2.80846e+01 107.076 0.9823 
1 1 1 15 4  16 o 2  4.81121e+02 5.31036e+00 5.26137e+02 39.591  5.48805e+01  4.53864e+01  0.00000e+00 0.00000e+00 6.95053e+02 39.591  1.68915e+02 39.591  0.9930 
1 1 1 15 4  18 o 7  1.96538e+02 5.03422e+00 1.85722e+02 350.367 1.15629e+01  -1.96256e+00 0.00000e+00 0.00000e+00 2.93347e+02 350.367 1.07625e+02 350.367 0.9564 
1 1 1 15 4  19 o 7  8.48004e+01 8.84663e+00 9.43732e+01 112.630 -9.53381e-01 2.28699e+00  0.00000e+00 0.00000e+00 7.01783e+01 112.630 2.41949e+01 292.630 0.7626 
1 1 1 15 4  20 o 1  2.68213e+02 4.02210e+00 2.84464e+02 216.727 -2.25314e+01 -1.68109e+01 0.00000e+00 0.00000e+00 3.84675e+02 216.727 1.00211e+02 216.727 0.9820 
1 1 1 15 4  21 o 2  1.48915e+02 5.50876e+00 1.49775e+02 42.813  5.64922e+00  5.23365e+00  0.00000e+00 0.00000e+00 2.02413e+02 42.813  5.26389e+01 42.813  0.9326 
1 1 1 15 4  22 o 16 1.30875e+02 5.89520e+00 1.34101e+02 73.785  1.65889e+00  5.70437e+00  0.00000e+00 0.00000e+00 1.67829e+02 73.785  3.37279e+01 73.785  0.9114 
1 1 1 15 4  24 o 6  5.43259e+01 1.25280e+01 9.64096e+01 89.666  1.19452e-02  2.04626e+00  0.00000e+00 0.00000e+00 1.83171e-01 89.666  9.62264e+01 269.665 0.7052 
1 1 1 15 4  25 o 7  7.57442e+01 1.09993e+01 3.96008e+00 61.433  5.60351e-02  1.02917e-01  0.00000e+00 0.00000e+00 7.18614e+00 61.433  3.22607e+00 61.433  0.0585 
1 1 1 15 4  26 o 13 8.31459e+01 1.12542e+01 1.44037e+02 18.001  5.01347e+00  1.62906e+00  0.00000e+00 0.00000e+00 4.36723e+01 18.001  1.00365e+02 198.001 0.8993 
1 1 1 15 4  27 o 10 1.06752e+02 7.34068e+00 2.17392e+02 203.049 -9.63111e+00 -4.09790e+00 0.00000e+00 0.00000e+00 3.68677e+01 203.049 1.80524e+02 23.049  0.9510 
1 1 1 15 4  28 o 11 1.79404e+02 4.94944e+00 1.13230e+02 327.027 7.80130e+00  -5.06092e+00 0.00000e+00 0.00000e+00 3.10206e+02 327.027 1.96976e+02 327.027 0.9446 
1 1 1 15 4  29 o 10 1.89552e+02 4.81397e+00 1.60494e+02 331.217 1.35558e+01  -7.44714e+00 0.00000e+00 0.00000e+00 2.96431e+02 331.217 1.35937e+02 331.217 0.9671 
1 1 1 15 4  30 o 6  3.70236e+01 1.09422e+01 6.42275e+01 295.563 4.82311e-01  -1.00834e+00 0.00000e+00 0.00000e+00 1.94406e+01 115.563 8.36682e+01 115.563 0.4866 
1 1 1 15 4  31 o 11 5.06833e+01 1.15299e+01 9.36962e+01 304.844 1.42823e+00  -2.05161e+00 0.00000e+00 0.00000e+00 2.44359e+00 304.844 9.12526e+01 124.844 0.7650 
1 1 1 15 4  32 o 12 1.38582e+02 5.74027e+00 1.33562e+02 283.530 2.24030e+00  -9.30982e+00 0.00000e+00 0.00000e+00 1.90720e+02 283.530 5.71578e+01 283.530 0.9462 
1 1 1 15 4  33 o 19 1.10627e+02 7.05330e+00 1.17355e+02 180.754 -8.79505e+00 -1.15730e-01 0.00000e+00 0.00000e+00 1.39441e+02 180.754 2.20857e+01 180.754 0.9413 
1 1 1 15 4  34 o 16 2.72915e+02 4.19168e+00 2.22335e+02 67.035  1.69798e+01  4.00709e+01  0.00000e+00 0.00000e+00 4.40977e+02 67.035  2.18642e+02 67.035  0.9884 
1 1 1 15 4  35 o 5  4.58388e+01 1.10905e+01 3.13931e+00 56.607  5.20018e-02  7.88852e-02  0.00000e+00 0.00000e+00 2.16367e+00 56.607  9.75642e-01 236.607 0.0472 
1 1 1 15 4  36 o 12 1.39687e+02 5.44176e+00 1.81260e+02 116.262 -7.99130e+00 1.61960e+01  0.00000e+00 0.00000e+00 1.50556e+02 116.262 3.07040e+01 296.262 0.9719 
1 1 1 15 4  37 o 17 8.77751e+01 7.72064e+00 1.68858e+02 53.497  6.61500e+00  8.93879e+00  0.00000e+00 0.00000e+00 3.51427e+01 53.497  1.33715e+02 233.497 0.9539 
1 1 1 15 4  38 o 4  1.04763e+02 6.73838e+00 1.34959e+02 59.954  6.54131e+00  1.13091e+01  0.00000e+00 0.00000e+00 1.09522e+02 59.954  2.54375e+01 239.954 0.9609 
1 1 1 15 4  39 o 8  3.51992e+01 1.00037e+01 1.08346e+02 61.874  1.39263e+00  2.60532e+00  0.00000e+00 0.00000e+00 3.96300e+01 241.874 1.47976e+02 241.874 0.8065 
1 1 1 15 4  40 o 15 1.49624e+02 5.00353e+00 2.22514e+02 23.354  3.14865e+01  1.35954e+01  0.00000e+00 0.00000e+00 1.33113e+02 23.354  8.94016e+01 203.354 0.9853 
1 1 1 15 4  41 o 18 1.88653e+02 4.63342e+00 1.89203e+02 147.676 -3.20322e+01 2.02690e+01  0.00000e+00 0.00000e+00 2.58265e+02 147.676 6.90624e+01 147.676 0.9867 
1 1 1 15 4  42 o 3  1.06568e+02 6.36700e+00 1.05898e+02 249.159 -3.92920e+00 -1.03214e+01 0.00000e+00 0.00000e+00 1.37511e+02 249.159 3.16135e+01 249.159 0.9536 
1 1 1 15 4  43 o 9  1.01359e+02 6.25039e+00 1.15120e+02 120.056 -7.22579e+00 1.24870e+01  0.00000e+00 0.00000e+00 1.18230e+02 120.056 3.10988e+00 120.056 0.9647 
1 1 1 15 4  45 o 13 4.43724e+01 1.06269e+01 6.56487e+01 266.504 -2.18310e-01 -3.57361e+00 0.00000e+00 0.00000e+00 2.31744e+01 266.504 4.24743e+01 86.504  0.8452 
1 1 1 15 4  46 o 6  4.05701e+01 9.62951e+00 4.15123e+01 110.197 -7.17897e-01 1.95145e+00  0.00000e+00 0.00000e+00 2.64784e+01 110.197 1.50338e+01 290.197 0.7104 
1 1 1 15 4  47 o 4  1.04278e+02 6.16186e+00 1.01353e+02 108.099 -4.62209e+00 1.41419e+01  0.00000e+00 0.00000e+00 1.35285e+02 108.099 3.39314e+01 108.099 0.9658 
1 1 1 15 4  48 o 15 8.38152e+01 7.00219e+00 8.73499e+01 189.152 -1.02485e+01 -1.65101e+00 0.00000e+00 0.00000e+00 9.90842e+01 189.152 1.17343e+01 189.152 0.9505 
1 1 1 15 4  49 o 9  1.21977e+02 5.30504e+00 1.26669e+02 64.838  1.09671e+01  2.33469e+01  0.00000e+00 0.00000e+00 1.52011e+02 64.838  2.53414e+01 64.838  0.9804 
1 1 1 15 4  50 o 2  3.56845e+01 1.00007e+01 3.82964e+01 152.542 -1.71938e+00 8.93464e-01  0.00000e+00 0.00000e+00 1.86107e+01 152.542 1.96857e+01 332.542 0.6873 
1 1 1 15 4  51 o 10 6.43994e+01 9.71041e+00 1.10485e+02 333.062 1.01886e+01  -5.17751e+00 0.00000e+00 0.00000e+00 3.16309e+01 333.062 7.88538e+01 153.062 0.9552 
1 1 1 15 4  52 o 8  3.61962e+01 1.05107e+01 6.15475e+01 7.297   3.41729e+00  4.37555e-01  0.00000e+00 0.00000e+00 8.23460e+00 7.297   5.33128e+01 187.297 0.8382 
1 1 1 15 4  53 o 19 8.66974e+01 8.16786e+00 5.83406e+01 305.214 5.75482e+00  -8.15364e+00 0.00000e+00 0.00000e+00 1.29943e+02 305.214 7.16021e+01 305.214 0.9485 
1 1 1 15 4  54 o 13 6.90479e+01 9.45645e+00 5.92014e+01 57.855  4.22334e+00  6.72089e+00  0.00000e+00 0.00000e+00 8.78916e+01 57.855  2.86901e+01 57.855  0.9347 
1 1 1 15 4  55 o 1  1.01971e+02 6.89922e+00 9.68557e+01 210.252 -1.95071e+01 -1.13773e+01 0.00000e+00 0.00000e+00 1.29276e+02 210.252 3.24205e+01 210.252 0.9776 
1 1 1 15 4  56 o 16 2.95932e+01 9.41843e+00 3.77099e+01 166.024 -2.51185e+00 6.25155e-01  0.00000e+00 0.00000e+00 1.40197e+01 166.024 2.36902e+01 346.024 0.7743 
1 1 1 15 4  57 o 3  4.09265e+01 1.00952e+01 3.23313e+01 15.124  2.78052e+00  7.51514e-01  0.00000e+00 0.00000e+00 4.12926e+01 15.124  8.96128e+00 15.124  0.8007 
1 1 1 15 5  3  o 5  2.52962e+02 9.13281e+00 2.72881e+02 106.633 -4.60209e+00 1.54049e+01  0.00000e+00 0.00000e+00 3.60822e+02 106.633 8.79407e+01 106.633 0.9684 
1 1 1 15 5  4  o 15 1.98966e+02 4.43357e+00 2.08790e+02 323.308 7.88413e+00  -5.87499e+00 0.00000e+00 0.00000e+00 2.78850e+02 323.308 7.00596e+01 323.308 0.9477 
1 1 1 15 5  5  o 18 2.94683e+02 3.92184e+00 3.06920e+02 268.437 -5.81967e-01 -2.13354e+01 0.00000e+00 0.00000e+00 4.36810e+02 268.437 1.29890e+02 268.437 0.9763 
1 1 1 15 5  6  o 9  5.71500e+02 4.34180e+00 7.17574e+02 83.871  1.10004e+01  1.02449e+02  0.00000e+00 0.00000e+00 7.51945e+02 83.871  3.43709e+01 83.871  0.9951 
1 1 1 15 5  7  o 7  5.05403e+02 4.25027e+00 4.63245e+02 136.015 -4.20628e+01 4.05985e+01  0.00000e+00 0.00000e+00 8.30727e+02 136.015 3.67482e+02 136.015 0.9914 
1 1 1 15 5  8  o 14 2.38864e+02 4.01834e+00 3.57264e+02 151.172 -1.85406e+01 1.02046e+01  0.00000e+00 0.00000e+00 2.44449e+02 151.172 1.12816e+02 331.172 0.9761 
1 1 1 15 5  9  o 6  6.88295e+01 1.06073e+01 6.00642e+01 253.034 -2.87875e-01 -9.43625e-01 0.00000e+00 0.00000e+00 1.83229e+01 253.034 4.17413e+01 73.034  0.4416 
1 1 1 15 5  10 o 5  1.13065e+02 6.98085e+00 1.99529e+02 146.283 -4.52585e+00 3.02026e+00  0.00000e+00 0.00000e+00 6.34661e+01 146.283 1.36063e+02 326.283 0.9027 
1 1 1 15 5  11 o 1  3.56959e+02 4.06911e+00 4.13589e+02 282.931 9.12526e+00  -3.97451e+01 0.00000e+00 0.00000e+00 4.94047e+02 282.931 8.04581e+01 282.931 0.9877 
1 1 1 15 5  12 o 7  7.70045e+01 9.74002e+00 1.71393e+02 102.421 -7.54924e-01 3.42755e+00  0.00000e+00 0.00000e+00 4.71476e+00 282.421 1.76108e+02 282.421 0.8416 
1 1 1 15 5  13 o 12 1.93313e+02 4.88873e+00 2.24260e+02 194.757 -1.20117e+01 -3.16406e+00 0.00000e+00 0.00000e+00 2.51955e+02 194.757 2.76945e+01 194.757 0.9589 
1 1 1 15 5  14 o 3  4.96438e+02 5.74528e+00 5.05777e+02 86.682  4.09823e+00  7.06864e+01  0.00000e+00 0.00000e+00 7.59121e+02 86.682  2.53344e+02 86.682  0.9929 
1 1 1 15 5  16 o 16 2.03811e+02 4.67689e+00 1.69365e+02 347.056 1.09069e+01  -2.50675e+00 0.00000e+00 0.00000e+00 3.28409e+02 347.056 1.59044e+02 347.056 0.9542 
1 1 1 15 5  17 f 0  1.10554e+02 7.40059e+00 2.29405e+02 58.925  4.12809e+00  6.84999e+00  0.00000e+00 0.00000e+00 3.48498e+01 58.925  1.94556e+02 238.925 0.9352 
1 1 1 15 5  18 o 10 2.54358e+02 4.11089e+00 2.18650e+02 296.889 9.36485e+00  -1.84678e+01 0.00000e+00 0.00000e+00 4.14601e+02 296.889 1.95952e+02 296.889 0.9755 
1 1 1 15 5  19 o 10 4.75573e+01 1.21779e+01 7.38032e+01 190.314 -1.19273e+00 -2.17061e-01 0.00000e+00 0.00000e+00 1.12074e+01 10.314  8.50107e+01 10.314  0.5166 
1 1 1 15 5  20 f 0  6.14572e+01 1.17574e+01 5.81329e+01 218.379 -9.19796e-01 -7.28485e-01 0.00000e+00 0.00000e+00 2.07249e+01 218.379 3.74080e+01 38.379  0.5044 
1 1 1 15 5  21 o 16 1.33056e+02 2.94235e+01 1.65687e+02 190.349 -6.01482e+00 -1.09841e+00 0.00000e+00 0.00000e+00 1.43142e+02 190.349 2.25446e+01 10.349  0.9141 
1 1 1 15 5  23 o 16 2.70802e+02 4.36242e+00 2.03702e+02 190.065 -2.27430e+01 -4.03703e+00 0.00000e+00 0.00000e+00 4.66306e+02 190.065 2.62605e+02 190.065 0.9781 
1 1 1 15 5  24 o 16 9.49873e+01 8.66727e+00 1.69442e+02 288.885 2.40196e+00  -7.02157e+00 0.00000e+00 0.00000e+00 5.35494e+01 288.885 1.15892e+02 108.885 0.9300 
1 1 1 15 5  25 o 13 1.32700e+02 6.36851e+00 1.04991e+02 228.700 -4.25277e+00 -4.84086e+00 0.00000e+00 0.00000e+00 2.02129e+02 228.700 9.71379e+01 228.700 0.9187 
1 1 1 15 5  26 o 9  1.12369e+02 8.35145e+00 1.58579e+02 211.724 -6.78379e+00 -4.19367e+00 0.00000e+00 0.00000e+00 1.05515e+02 211.724 5.30631e+01 31.724  0.9350 
1 1 1 15 5  27 o 16 6.49425e+01 1.25126e+01 1.31785e+02 175.464 -3.63756e+00 2.88595e-01  0.00000e+00 0.00000e+00 6.40782e+00 175.464 1.25378e+02 355.464 0.8485 
1 1 1 15 5  28 o 9  2.75861e+02 4.49555e+00 3.17908e+02 81.301  6.77626e+00  4.42860e+01  0.00000e+00 0.00000e+00 3.64513e+02 81.301  4.66052e+01 81.301  0.9888 
1 1 1 15 5  29 o 2  1.67931e+02 6.07971e+00 1.54030e+02 103.858 -3.07117e+00 1.24487e+01  0.00000e+00 0.00000e+00 2.48389e+02 103.858 9.43590e+01 103.858 0.9602 
1 1 1 15 5  30 o 16 1.61930e+02 5.05978e+00 1.69866e+02 266.102 -1.06298e+00 -1.56004e+01 0.00000e+00 0.00000e+00 2.20128e+02 266.102 5.02616e+01 266.102 0.9675 
1 1 1 15 5  31 o 14 3.79287e+02 4.05345e+00 4.30765e+02 282.245 1.82096e+01  -8.39042e+01 0.00000e+00 0.00000e+00 5.05441e+02 282.245 7.46766e+01 282.245 0.9942 
1 1 1 15 5  32 o 16 1.10233e+02 6.52231e+00 7.63029e+01 11.458  5.64883e+00  1.14491e+00  0.00000e+00 0.00000e+00 1.71677e+02 11.458  9.53745e+01 11.458  0.9085 
1 1 1 15 5  33 o 15 7.14560e+01 1.00614e+01 1.02495e+02 318.955 3.70963e+00  -3.22984e+00 0.00000e+00 0.00000e+00 5.47918e+01 318.955 4.77030e+01 138.955 0.8915 
1 1 1 15 5  34 o 8  1.86093e+02 4.69341e+00 1.92267e+02 104.580 -6.47972e+00 2.49116e+01  0.00000e+00 0.00000e+00 2.56912e+02 104.580 6.46456e+01 104.580 0.9804 
1 1 1 15 5  35 o 18 7.00008e+01 1.02770e+01 1.05922e+02 89.132  7.56223e-02  4.99147e+00  0.00000e+00 0.00000e+00 4.75586e+01 89.132  5.83634e+01 269.132 0.8932 
1 1 1 15 5  36 o 12 6.27956e+01 1.02429e+01 7.19170e+01 297.110 1.49289e+00  -2.91616e+00 0.00000e+00 0.00000e+00 5.54009e+01 297.110 1.65161e+01 117.110 0.8285 
1 1 1 15 5  37 o 8  9.47710e+01 7.53120e+00 1.07639e+02 63.093  3.34269e+00  6.58677e+00  0.00000e+00 0.00000e+00 1.07283e+02 63.093  3.56778e-01 243.093 0.9296 
1 1 1 15 5  38 o 1  9.20609e+01 7.56964e+00 1.14794e+02 30.038  8.23868e+00  4.76398e+00  0.00000e+00 0.00000e+00 9.69557e+01 30.038  1.78381e+01 210.038 0.9459 
1 1 1 15 5  39 o 4  1.04173e+02 6.71970e+00 1.31120e+02 275.461 1.31772e+00  -1.37836e+01 0.00000e+00 0.00000e+00 1.12057e+02 275.461 1.90633e+01 95.461  0.9632 
1 1 1 15 5  40 o 13 6.48578e+01 9.51643e+00 5.49583e+01 35.177  2.86748e+00  2.02106e+00  0.00000e+00 0.00000e+00 7.68697e+01 35.177  2.19114e+01 35.177  0.8415 
1 1 1 15 5  41 o 9  7.11651e+01 8.76147e+00 7.39952e+01 213.537 -4.15866e+00 -2.75639e+00 0.00000e+00 0.00000e+00 7.89873e+01 213.537 4.99206e+00 213.537 0.8931 
1 1 1 15 5  42 o 5  2.98197e+01 9.46844e+00 2.96038e+01 19.081  9.01683e-01  3.11903e-01  0.00000e+00 0.00000e+00 1.14064e+00 19.081  2.84632e+01 199.081 0.4299 
1 1 1 15 5  44 f 0  8.20956e+01 8.71183e+00 1.39880e+02 260.894 -2.38410e+00 -1.48738e+01 0.00000e+00 0.00000e+00 4.89521e+01 260.894 9.09279e+01 80.894  0.9662 
1 1 1 15 5  45 o 4  1.57989e+02 5.08956e+00 1.35285e+02 86.357  1.95304e+00  3.06795e+01  0.00000e+00 0.00000e+00 2.33234e+02 86.357  9.79493e+01 86.357  0.9836 
1 1 1 15 5  46 f 0  8.36125e+01 8.55163e+00 1.41914e+02 134.983 -1.05501e+01 1.05562e+01  0.00000e+00 0.00000e+00 4.88565e+01 134.983 9.30572e+01 314.983 0.9659 
1 1 1 15 5  47 o 2  9.03481e+01 7.66826e+00 1.25227e+02 201.633 -1.48391e+01 -5.88518e+00 0.00000e+00 0.00000e+00 8.05665e+01 201.633 4.46604e+01 21.633  0.9682 
1 1 1 15 5  48 o 14 5.87859e+01 1.05313e+01 7.12532e+01 92.951  -3.09023e-01 5.99446e+00  0.00000e+00 0.00000e+00 5.44205e+01 92.951  1.68328e+01 272.951 0.9124 
1 1 1 15 5  49 o 11 7.43053e+01 8.89065e+00 1.31537e+02 269.495 -1.28034e-01 -1.45125e+01 0.00000e+00 0.00000e+00 3.57557e+01 269.495 9.57811e+01 89.495  0.9649 
1 1 1 15 5  50 o 10 5.55346e+01 1.04670e+01 6.55561e+01 275.293 5.31353e-01  -5.73493e+00 0.00000e+00 0.00000e+00 5.16584e+01 275.293 1.38977e+01 95.293  0.9085 
1 1 1 15 5  51 f 0  5.70189e+01 1.07054e+01 6.24678e+01 238.424 -2.89261e+00 -4.70636e+00 0.00000e+00 0.00000e+00 5.68048e+01 238.424 5.66294e+00 58.424  0.9043 
1 1 1 15 5  52 f 0  3.15744e+01 9.74407e+00 6.35872e+01 39.365  2.68098e+00  2.19946e+00  0.00000e+00 0.00000e+00 2.54945e+00 219.365 6.61367e+01 219.365 0.8394 
1 1 1 15 5  53 o 4  3.55732e+01 1.02689e+01 4.18279e+01 74.626  7.47229e-01  2.71768e+00  0.00000e+00 0.00000e+00 2.30587e+01 74.626  1.87691e+01 254.626 0.7956 
1 1 1 15 5  54 o 12 5.93150e+01 1.04598e+01 6.71300e+01 206.985 -7.03717e+00 -3.58325e+00 0.00000e+00 0.00000e+00 5.93433e+01 206.985 7.78665e+00 26.985  0.9344 
1 1 1 15 5  55 o 8  4.75749e+01 1.04572e+01 6.43092e+01 221.586 -4.88336e+00 -4.33348e+00 0.00000e+00 0.00000e+00 3.50898e+01 221.586 2.92194e+01 41.586  0.9199 
1 1 1 15 5  56 o 10 3.38313e+01 9.75837e+00 3.74845e+01 61.672  1.34544e+00  2.49584e+00  0.00000e+00 0.00000e+00 2.34691e+01 61.672  1.40154e+01 241.672 0.7970 
1 1 1 15 5  57 o 6  4.09084e+01 1.17731e+01 3.92615e+01 52.590  2.14154e+00  2.79997e+00  0.00000e+00 0.00000e+00 3.82589e+01 52.590  1.00263e+00 232.590 0.8424 
1 1 1 15 6  0  o 12 8.99301e+01 1.14698e+01 2.43687e+01 180.000 -2.67589e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.65581e+01 180.000 1.21893e+01 180.000 0.2614 
1 1 1 15 6  1  o 2  1.01524e+02 7.04880e+00 7.38369e+00 0.144   1.83912e-01  4.63463e-04  0.00000e+00 0.00000e+00 1.67117e+01 0.144   9.32800e+00 0.144   0.0916 
1 1 1 15 6  2  o 18 8.56239e+01 8.33421e+00 2.00776e+02 68.151  1.55762e+00  3.88461e+00  0.00000e+00 0.00000e+00 7.66209e+00 248.151 2.08438e+02 248.151 0.8703 
1 1 1 15 6  3  o 8  4.16865e+02 3.85370e+00 3.08353e+02 234.353 -1.85119e+01 -2.58123e+01 0.00000e+00 0.00000e+00 7.54591e+02 234.353 4.46237e+02 234.353 0.9841 
1 1 1 15 6  4  o 13 3.67984e+02 3.79675e+00 3.58282e+02 50.480  2.06641e+01  2.50495e+01  0.00000e+00 0.00000e+00 5.80072e+02 50.480  2.21790e+02 50.480  0.9845 
1 1 1 15 6  5  o 3  2.86769e+02 4.01978e+00 2.90854e+02 119.158 -9.95961e+00 1.78515e+01  0.00000e+00 0.00000e+00 4.33247e+02 119.158 1.42394e+02 119.158 0.9752 
1 1 1 15 6  6  o 18 2.53469e+02 3.96658e+00 2.94674e+02 217.465 -1.65541e+01 -1.26862e+01 0.00000e+00 0.00000e+00 3.45368e+02 217.465 5.06944e+01 217.465 0.9757 
1 1 1 15 6  7  o 12 2.20818e+02 4.40563e+00 2.49812e+02 318.039 1.13686e+01  -1.02221e+01 0.00000e+00 0.00000e+00 3.02326e+02 318.039 5.25142e+01 318.039 0.9667 
1 1 1 15 6  8  o 9  1.76339e+02 4.93520e+00 3.02042e+02 333.899 1.31398e+01  -6.43733e+00 0.00000e+00 0.00000e+00 1.37901e+02 333.899 1.64140e+02 153.899 0.9652 
1 1 1 15 6  9  o 14 1.03785e+02 7.05831e+00 1.97658e+02 50.931  3.49239e+00  4.30221e+00  0.00000e+00 0.00000e+00 4.48328e+01 50.931  1.52825e+02 230.931 0.9046 
1 1 1 15 6  10 o 18 9.11048e+01 8.31659e+00 9.46324e+01 133.051 -1.66339e+00 1.78059e+00  0.00000e+00 0.00000e+00 8.35755e+01 133.051 1.10569e+01 313.051 0.7579 
1 1 1 15 6  11 o 3  8.56347e+01 9.75781e+00 3.92164e+01 199.344 -8.78708e-01 -3.08477e-01 0.00000e+00 0.00000e+00 5.38565e+01 199.344 1.46401e+01 199.344 0.4215 
1 1 1 15 6  13 o 10 1.61474e+02 5.66072e+00 1.97989e+02 303.355 5.73723e+00  -8.71581e+00 0.00000e+00 0.00000e+00 1.97067e+02 303.355 9.21456e-01 123.355 0.9508 
1 1 1 15 6  14 o 14 2.82854e+02 3.85959e+00 3.94835e+02 116.607 -1.62499e+01 3.24398e+01  0.00000e+00 0.00000e+00 3.22053e+02 116.607 7.27811e+01 296.607 0.9861 
1 1 1 15 6  15 o 11 2.77134e+02 3.85178e+00 5.07468e+02 190.348 -4.43833e+01 -8.10412e+00 0.00000e+00 0.00000e+00 1.95989e+02 190.348 3.11479e+02 10.348  0.9889 
1 1 1 15 6  16 o 1  1.52184e+02 5.17511e+00 2.13673e+02 44.989  8.54550e+00  8.54208e+00  0.00000e+00 0.00000e+00 1.59942e+02 44.989  5.37310e+01 224.989 0.9577 
1 1 1 15 6  17 o 19 5.08941e+02 4.34784e+00 4.28538e+02 272.236 3.12976e+00  -8.01721e+01 0.00000e+00 0.00000e+00 8.66137e+02 272.236 4.37599e+02 272.236 0.9937 
1 1 1 15 6  18 o 18 5.32910e+02 4.44920e+00 5.74073e+02 306.642 6.34690e+01  -8.53303e+01 0.00000e+00 0.00000e+00 7.81626e+02 306.642 2.07553e+02 306.642 0.9953 
1 1 1 15 6  19 o 3  3.74110e+02 4.54687e+00 3.36507e+02 99.331  -6.98374e+00 4.25035e+01  0.00000e+00 0.00000e+00 6.07045e+02 99.331  2.70538e+02 99.331  0.9883 
1 1 1 15 6  21 o 12 2.78278e+02 4.22780e+00 2.55845e+02 137.989 -2.24018e+01 2.01786e+01  0.00000e+00 0.00000e+00 4.40015e+02 137.989 1.84170e+02 137.989 0.9833 
1 1 1 15 6  22 o 5  9.94853e+01 7.46808e+00 1.38729e+02 61.186  2.71582e+00  4.93716e+00  0.00000e+00 0.00000e+00 9.01402e+01 61.186  4.85884e+01 241.186 0.9063 
1 1 1 15 6  23 o 15 2.23554e+02 4.40592e+00 1.62469e+02 341.680 1.63560e+01  -5.41571e+00 0.00000e+00 0.00000e+00 3.87214e+02 341.680 2.24745e+02 341.680 0.9705 
1 1 1 15 6  24 o 15 3.06386e+02 4.13150e+00 3.03483e+02 112.056 -1.63463e+01 4.03442e+01  0.00000e+00 0.00000e+00 4.62222e+02 112.056 1.58738e+02 112.056 0.9884 
1 1 1 15 6  25 o 3  1.30488e+02 5.85076e+00 1.46690e+02 204.076 -7.95407e+00 -3.55408e+00 0.00000e+00 0.00000e+00 1.63020e+02 204.076 1.63299e+01 204.076 0.9407 
1 1 1 15 6  26 o 16 2.08651e+02 4.25694e+00 2.14973e+02 145.943 -1.70659e+01 1.15358e+01  0.00000e+00 0.00000e+00 2.97389e+02 145.943 8.24162e+01 145.943 0.9754 
1 1 1 15 6  27 o 13 9.14242e+01 7.52602e+00 1.56483e+02 124.353 -4.02399e+00 5.88724e+00  0.00000e+00 0.00000e+00 5.63799e+01 124.353 1.00103e+02 304.353 0.9270 
1 1 1 15 6  28 o 18 2.14794e+02 4.32072e+00 2.55856e+02 287.088 9.40391e+00  -3.05904e+01 0.00000e+00 0.00000e+00 2.73893e+02 287.088 1.80367e+01 287.088 0.9843 
1 1 1 15 6  29 o 6  2.10308e+02 5.61156e+00 2.39958e+02 34.093  2.22041e+01  1.50291e+01  0.00000e+00 0.00000e+00 2.75836e+02 34.093  3.58782e+01 34.093  0.9812 
1 1 1 15 6  30 o 13 3.45000e+01 1.06524e+01 9.35894e+01 99.221  -2.55782e-01 1.57565e+00  0.00000e+00 0.00000e+00 4.03402e+01 279.221 1.33930e+02 279.221 0.6190 
1 1 1 15 6  31 o 12 1.56231e+02 7.73517e+00 1.77643e+02 137.940 -1.39341e+01 1.25728e+01  0.00000e+00 0.00000e+00 2.00365e+02 137.940 2.27214e+01 137.940 0.9730 
1 1 1 15 6  32 o 2  4.79049e+01 1.25877e+01 1.03442e+02 140.251 -2.44635e+00 2.03454e+00  0.00000e+00 0.00000e+00 5.71762e+00 320.251 1.09160e+02 320.251 0.8226 
1 1 1 15 6  33 o 8  4.48068e+01 1.13861e+01 8.99915e+01 164.992 -2.56373e+00 6.87317e-01  0.00000e+00 0.00000e+00 3.47400e+00 344.992 9.34655e+01 344.992 0.7808 
1 1 1 15 6  34 o 16 1.14079e+02 6.56189e+00 1.78289e+02 334.524 1.30793e+01  -6.23175e+00 0.00000e+00 0.00000e+00 9.31292e+01 334.524 8.51602e+01 154.524 0.9648 
1 1 1 15 6  35 o 3  1.40715e+02 5.36042e+00 1.40105e+02 21.080  1.43697e+01  5.53889e+00  0.00000e+00 0.00000e+00 1.94423e+02 21.080  5.43174e+01 21.080  0.9670 
1 1 1 15 6  36 o 7  1.60728e+02 4.93995e+00 1.74799e+02 111.123 -7.58144e+00 1.96244e+01  0.00000e+00 0.00000e+00 2.09673e+02 111.123 3.48748e+01 111.123 0.9759 
1 1 1 15 6  37 o 16 6.62080e+01 9.94869e+00 4.10679e+01 114.024 -9.57497e-01 2.14820e+00  0.00000e+00 0.00000e+00 7.99161e+01 114.024 3.88481e+01 114.024 0.7479 
1 1 1 15 6  38 o 1  4.62824e+01 1.04809e+01 6.25620e+01 217.502 -2.16710e+00 -1.66300e+00 0.00000e+00 0.00000e+00 2.62611e+01 217.502 3.63009e+01 37.502  0.7880 
1 1 1 15 6  39 o 9  7.08897e+01 8.88280e+00 7.49079e+01 339.232 4.98244e+00  -1.88951e+00 0.00000e+00 0.00000e+00 8.00436e+01 339.232 5.13571e+00 339.232 0.9005 
1 1 1 15 6  40 o 18 1.00494e+02 6.85175e+00 8.68912e+01 22.373  7.97088e+00  3.28092e+00  0.00000e+00 0.00000e+00 1.41646e+02 22.373  5.47550e+01 22.373  0.9401 
1 1 1 15 6  41 o 1  4.41610e+01 1.13650e+01 8.91199e+01 334.753 3.68006e+00  -1.73542e+00 0.00000e+00 0.00000e+00 3.08454e+00 334.753 8.60354e+01 154.753 0.8661 
1 1 1 15 6  42 o 14 8.41794e+01 1.48275e+01 5.56419e+01 186.534 -4.52087e+00 -5.17781e-01 0.00000e+00 0.00000e+00 1.22660e+02 186.534 6.70184e+01 186.534 0.8818 
1 1 1 15 6  43 o 9  3.40735e+01 1.05268e+01 3.52667e+01 42.477  1.10940e+00  1.01575e+00  0.00000e+00 0.00000e+00 1.34299e+01 42.477  2.18368e+01 222.477 0.5972 
1 1 1 15 6  44 o 3  8.15052e+01 9.62115e+00 1.21839e+02 322.467 1.02408e+01  -7.86750e+00 0.00000e+00 0.00000e+00 6.48117e+01 322.467 5.70268e+01 142.467 0.9605 
1 1 1 15 6  45 o 3  7.02844e+01 9.79578e+00 1.03840e+02 218.418 -7.00786e+00 -5.55800e+00 0.00000e+00 0.00000e+00 5.34688e+01 218.418 5.03708e+01 38.418  0.9423 
1 1 1 15 6  46 f 0  4.92454e+01 1.09965e+01 3.11781e+01 40.226  1.51011e+00  1.27733e+00  0.00000e+00 0.00000e+00 4.96908e+01 40.226  1.85127e+01 40.226  0.6941 
1 1 1 15 6  47 o 1  5.20961e+01 1.06909e+01 2.74858e+01 276.297 2.25391e-01  -2.04265e+00 0.00000e+00 0.00000e+00 5.92566e+01 276.297 3.17708e+01 276.297 0.7066 
1 1 1 15 6  48 o 4  5.10730e+01 1.07238e+01 5.82409e+01 244.675 -1.81450e+00 -3.83421e+00 0.00000e+00 0.00000e+00 4.62995e+01 244.675 1.19414e+01 64.675  0.8722 
1 1 1 15 6  49 o 13 6.06707e+01 1.04194e+01 4.70982e+01 174.570 -4.54327e+00 4.31831e-01  0.00000e+00 0.00000e+00 7.79805e+01 174.570 3.08823e+01 174.570 0.8822 
1 1 1 15 6  50 o 18 6.32087e+01 1.02010e+01 6.86608e+01 100.439 -1.24003e+00 6.73046e+00  0.00000e+00 0.00000e+00 6.72092e+01 100.439 1.45163e+00 280.439 0.9237 
1 1 1 15 6  51 o 6  8.61933e+01 7.53624e+00 1.27373e+02 261.231 -3.15827e+00 -2.04747e+01 0.00000e+00 0.00000e+00 6.74451e+01 261.231 5.99280e+01 81.231  0.9756 
1 1 1 15 6  52 o 16 7.30685e+01 9.24956e+00 8.08837e+01 147.945 -9.48457e+00 5.93927e+00  0.00000e+00 0.00000e+00 7.99402e+01 147.945 9.43533e-01 327.945 0.9542 
1 1 1 15 6  53 o 2  5.66924e+01 1.07129e+01 6.24103e+01 73.653  1.96629e+00  6.70394e+00  0.00000e+00 0.00000e+00 5.80520e+01 73.653  4.35826e+00 253.653 0.9254 
1 1 1 15 6  54 o 1  3.40691e+01 1.01810e+01 4.20235e+01 179.182 -2.86023e+00 4.08401e-02  0.00000e+00 0.00000e+00 2.02028e+01 179.182 2.18206e+01 359.182 0.7991 
1 1 1 15 6  55 o 9  4.77585e+01 1.02493e+01 2.82151e+01 66.995  1.17245e+00  2.76150e+00  0.00000e+00 0.00000e+00 5.97864e+01 66.995  3.15713e+01 66.995  0.8100 
1 1 1 15 6  56 f 0  4.62012e+01 1.14726e+01 1.00801e+02 333.112 9.33942e+00  -4.73570e+00 0.00000e+00 0.00000e+00 1.32758e+00 153.112 1.02128e+02 153.112 0.9510 
1 1 1 15 7  0  o 11 2.29013e+02 6.08516e+00 2.30353e+02 0.000   7.22741e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.64340e+02 0.000   1.33987e+02 0.000   1.0000 
1 1 1 15 7  1  o 6  5.28698e+02 4.24690e+00 5.52982e+02 15.818  7.70519e+01  2.18301e+01  0.00000e+00 0.00000e+00 8.11266e+02 15.818  2.58284e+02 15.818  0.9937 
1 1 1 15 7  2  o 5  1.99097e+02 4.55539e+00 2.84102e+02 337.675 1.42991e+01  -5.87163e+00 0.00000e+00 0.00000e+00 2.15808e+02 337.675 6.82939e+01 157.675 0.9671 
1 1 1 15 7  3  o 14 3.36432e+02 3.87051e+00 4.85832e+02 353.759 4.43903e+01  -4.85451e+00 0.00000e+00 0.00000e+00 3.77631e+02 353.759 1.08200e+02 173.759 0.9887 
1 1 1 15 7  4  o 19 1.00328e+02 7.58385e+00 1.48116e+02 277.192 5.30447e-01  -4.20362e+00 0.00000e+00 0.00000e+00 7.89220e+01 277.192 6.91936e+01 97.192  0.8721 
1 1 1 15 7  5  o 15 3.13527e+02 4.08386e+00 4.43809e+02 230.896 -2.53002e+01 -3.11272e+01 0.00000e+00 0.00000e+00 3.59270e+02 230.896 8.45391e+01 50.896  0.9875 
1 1 1 15 7  6  f 0  1.87444e+02 5.76954e+00 2.89536e+02 241.100 -7.47602e+00 -1.35429e+01 0.00000e+00 0.00000e+00 1.80476e+02 241.100 1.09060e+02 61.100  0.9671 
1 1 1 15 7  9  o 19 1.47441e+02 7.11398e+00 2.26457e+02 176.741 -1.08643e+01 6.18545e-01  0.00000e+00 0.00000e+00 1.37100e+02 176.741 8.93565e+01 356.741 0.9529 
1 1 1 15 7  10 o 3  2.43035e+02 4.14311e+00 2.67404e+02 251.116 -6.89550e+00 -2.01580e+01 0.00000e+00 0.00000e+00 3.46055e+02 251.116 7.86511e+01 251.116 0.9762 
1 1 1 15 7  11 o 4  1.59116e+02 5.06224e+00 3.05791e+02 32.915  1.32209e+01  8.55795e+00  0.00000e+00 0.00000e+00 9.19725e+01 32.915  2.13819e+02 212.915 0.9677 
1 1 1 15 7  12 o 8  1.08564e+02 6.94145e+00 7.52577e+01 68.057  9.69412e-01  2.40628e+00  0.00000e+00 0.00000e+00 1.41838e+02 68.057  6.65799e+01 68.057  0.7749 
1 1 1 15 7  13 o 12 1.19749e+02 6.71268e+00 8.65704e+01 10.385  3.77825e+00  6.92397e-01  0.00000e+00 0.00000e+00 1.78026e+02 10.385  9.14554e+01 10.385  0.8571 
1 1 1 15 7  14 f 0  2.41758e+02 4.14824e+00 3.14063e+02 48.654  1.86239e+01  2.11650e+01  0.00000e+00 0.00000e+00 2.97299e+02 48.654  1.67643e+01 228.654 0.9821 
1 1 1 15 7  15 o 12 1.49575e+02 5.26406e+00 1.97057e+02 239.636 -5.21825e+00 -8.90696e+00 0.00000e+00 0.00000e+00 1.68469e+02 239.636 2.85879e+01 59.636  0.9503 
1 1 1 15 7  16 o 8  2.20734e+02 4.20087e+00 2.18696e+02 218.806 -1.30636e+01 -1.05057e+01 0.00000e+00 0.00000e+00 3.31028e+02 218.806 1.12331e+02 218.806 0.9697 
1 1 1 15 7  19 o 3  2.92886e+02 4.58318e+00 3.45465e+02 49.268  2.80015e+01  3.25186e+01  0.00000e+00 0.00000e+00 3.94565e+02 49.268  4.90999e+01 49.268  0.9883 
1 1 1 15 7  20 o 10 2.20382e+02 4.94526e+00 2.51767e+02 32.203  1.95774e+01  1.23299e+01  0.00000e+00 0.00000e+00 2.98431e+02 32.203  4.66641e+01 32.203  0.9781 
1 1 1 15 7  21 o 13 4.24058e+01 1.17205e+01 8.59615e+01 310.391 1.05206e+00  -1.23658e+00 0.00000e+00 0.00000e+00 1.84100e+01 130.391 1.04371e+02 130.391 0.6252 
1 1 1 15 7  22 o 4  1.18983e+02 6.64724e+00 1.06692e+02 0.552   5.89332e+00  5.67408e-02  0.00000e+00 0.00000e+00 1.68865e+02 0.552   6.21733e+01 0.552   0.9107 
1 1 1 15 7  23 o 19 1.15730e+02 6.84527e+00 8.52419e+01 156.548 -4.12643e+00 1.79007e+00  0.00000e+00 0.00000e+00 1.73332e+02 156.548 8.80898e+01 156.548 0.8803 
1 1 1 15 7  24 o 7  1.40795e+02 5.83476e+00 1.86500e+02 178.795 -1.20729e+01 2.53911e-01  0.00000e+00 0.00000e+00 1.55037e+02 178.795 3.14630e+01 358.795 0.9577 
1 1 1 15 7  25 o 13 1.54198e+02 4.90007e+00 1.42619e+02 78.619  2.23417e+00  1.10997e+01  0.00000e+00 0.00000e+00 2.29515e+02 78.619  8.68955e+01 78.619  0.9548 
1 1 1 15 7  26 o 9  5.45580e+01 1.14502e+01 1.25374e+02 328.061 2.74858e+00  -1.71347e+00 0.00000e+00 0.00000e+00 1.16857e+01 148.061 1.37060e+02 148.061 0.8262 
1 1 1 15 7  27 o 3  1.10712e+02 6.28130e+00 1.22545e+02 75.221  1.97556e+00  7.48820e+00  0.00000e+00 0.00000e+00 1.37384e+02 75.221  1.48389e+01 75.221  0.9330 
1 1 1 15 7  28 o 6  1.16625e+02 6.47789e+00 1.58387e+02 310.945 6.35824e+00  -7.32863e+00 0.00000e+00 0.00000e+00 1.18867e+02 310.945 3.95202e+01 130.945 0.9470 
1 1 1 15 7  29 o 16 2.22346e+02 4.27332e+00 2.38380e+02 128.475 -2.34866e+01 2.95530e+01  0.00000e+00 0.00000e+00 3.11005e+02 128.475 7.26247e+01 128.475 0.9867 
1 1 1 15 7  30 o 4  2.20296e+02 4.35828e+00 1.84584e+02 150.429 -2.59965e+01 1.47504e+01  0.00000e+00 0.00000e+00 3.56405e+02 150.429 1.71821e+02 150.429 0.9831 
1 1 1 15 7  31 o 8  1.07957e+02 7.06537e+00 8.87294e+01 309.486 4.36419e+00  -5.29681e+00 0.00000e+00 0.00000e+00 1.59777e+02 309.486 7.10472e+01 309.486 0.9240 
1 1 1 15 7  32 o 2  3.09729e+02 4.31126e+00 4.06519e+02 111.451 -3.41755e+01 8.69773e+01  0.00000e+00 0.00000e+00 3.58894e+02 111.451 4.76251e+01 291.451 0.9946 
1 1 1 15 7  33 o 11 1.17385e+02 6.39842e+00 1.80787e+02 224.190 -1.19859e+01 -1.16516e+01 0.00000e+00 0.00000e+00 1.01208e+02 224.190 7.95794e+01 44.190  0.9696 
1 1 1 15 7  34 o 3  4.38133e+01 1.18543e+01 2.88020e+01 144.304 -7.06533e-01 5.07629e-01  0.00000e+00 0.00000e+00 1.43238e+01 144.304 1.44782e+01 324.304 0.3984 
1 1 1 15 7  35 o 10 1.20085e+02 6.72802e+00 1.58064e+02 223.262 -1.29419e+01 -1.21798e+01 0.00000e+00 0.00000e+00 1.29272e+02 223.262 2.87919e+01 43.262  0.9714 
1 1 1 15 7  36 o 10 2.32293e+02 4.36508e+00 2.29123e+02 317.176 3.32417e+01  -3.08079e+01 0.00000e+00 0.00000e+00 3.34964e+02 317.176 1.05841e+02 317.176 0.9889 
1 1 1 15 7  37 o 11 8.85266e+01 7.24902e+00 1.00101e+02 336.833 8.24429e+00  -3.52785e+00 0.00000e+00 0.00000e+00 1.04133e+02 336.833 4.03167e+00 336.833 0.9425 
1 1 1 15 7  38 o 19 5.78338e+01 1.06447e+01 1.17666e+02 266.340 -4.19207e-01 -6.55362e+00 0.00000e+00 0.00000e+00 1.22069e+01 266.340 1.05459e+02 86.340  0.9204 
1 1 1 15 7  39 o 9  1.40224e+02 4.89177e+00 1.84585e+02 150.195 -2.28743e+01 1.31026e+01  0.00000e+00 0.00000e+00 1.49889e+02 150.195 3.46962e+01 330.195 0.9808 
1 1 1 15 7  40 o 9  9.83145e+01 6.59701e+00 1.18773e+02 115.548 -5.84979e+00 1.22380e+01  0.00000e+00 0.00000e+00 1.10542e+02 115.548 8.23181e+00 295.548 0.9624 
1 1 1 15 7  41 o 11 7.04199e+01 3.06114e+01 4.65841e+01 52.082  1.06486e+00  1.36698e+00  0.00000e+00 0.00000e+00 6.37323e+01 52.082  1.71481e+01 52.082  0.6486 
1 1 1 15 7  42 o 14 7.35733e+01 7.83820e+00 6.48361e+01 308.148 3.99996e+00  -5.09245e+00 0.00000e+00 0.00000e+00 9.79063e+01 308.148 3.30702e+01 308.148 0.9192 
1 1 1 15 7  43 o 12 6.78245e+01 9.02273e+00 8.13232e+01 17.593  6.98842e+00  2.21590e+00  0.00000e+00 0.00000e+00 6.97623e+01 17.593  1.15610e+01 197.593 0.9291 
1 1 1 15 7  44 o 2  9.83490e+01 7.47920e+00 1.08123e+02 129.636 -8.87471e+00 1.07141e+01  0.00000e+00 0.00000e+00 1.18197e+02 129.636 1.00743e+01 129.636 0.9634 
1 1 1 15 7  45 o 16 1.18630e+02 5.36262e+00 1.29764e+02 236.639 -1.21574e+01 -1.84651e+01 0.00000e+00 0.00000e+00 1.46064e+02 236.639 1.63004e+01 236.639 0.9771 
1 1 1 15 7  46 o 5  5.08994e+01 1.06207e+01 7.37714e+01 235.244 -3.09483e+00 -4.46020e+00 0.00000e+00 0.00000e+00 3.51047e+01 235.244 3.86668e+01 55.244  0.9025 
1 1 1 15 7  47 o 2  9.21174e+01 7.10246e+00 9.51113e+01 294.445 5.83458e+00  -1.28356e+01 0.00000e+00 0.00000e+00 1.14495e+02 294.445 1.93837e+01 294.445 0.9639 
1 1 1 15 7  48 o 1  5.09586e+01 1.14043e+01 2.20827e+01 237.492 -9.33210e-01 -1.46439e+00 0.00000e+00 0.00000e+00 5.57199e+01 237.492 3.36372e+01 237.492 0.6494 
1 1 1 15 7  49 o 13 8.15525e+01 1.05475e+01 7.84114e+01 147.208 -8.41459e+00 5.42113e+00  0.00000e+00 0.00000e+00 1.02721e+02 147.208 2.43095e+01 147.208 0.9487 
1 1 1 15 7  50 o 7  4.15156e+01 1.05779e+01 1.62909e+01 162.214 -1.09085e+00 3.49939e-01  0.00000e+00 0.00000e+00 3.16766e+01 162.214 1.53857e+01 162.214 0.4956 
1 1 1 15 7  51 o 2  1.40162e+02 6.63115e+00 1.31158e+02 83.240  4.54239e+00  3.83201e+01  0.00000e+00 0.00000e+00 1.89937e+02 83.240  5.87798e+01 83.240  0.9870 
1 1 1 15 7  52 o 4  5.13363e+01 1.14376e+01 7.59963e+01 324.607 6.09111e+00  -4.32763e+00 0.00000e+00 0.00000e+00 3.43848e+01 324.607 4.16115e+01 144.607 0.9305 
1 1 1 15 7  53 o 7  5.87986e+01 1.18092e+01 6.06693e+01 269.171 -9.58863e-02 -6.62329e+00 0.00000e+00 0.00000e+00 6.39175e+01 269.171 3.24815e+00 269.171 0.9211 
1 1 1 15 7  54 o 7  2.87310e+01 9.41167e+00 3.04072e+01 113.575 -8.17117e-01 1.87255e+00  0.00000e+00 0.00000e+00 1.59560e+01 113.575 1.44512e+01 293.575 0.7047 
1 1 1 15 7  55 o 13 7.98024e+01 9.62179e+00 1.05176e+02 291.689 6.96859e+00  -1.75213e+01 0.00000e+00 0.00000e+00 7.18105e+01 291.689 3.33658e+01 111.689 0.9731 
1 1 1 15 8  0  o 8  4.33989e+01 2.13608e+01 8.19598e+01 180.000 -5.38238e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.64338e+01 0.000   1.08394e+02 0.000   0.4917 
1 1 1 15 8  1  o 12 2.43665e+02 4.24069e+00 2.85618e+02 29.755  1.99263e+01  1.13910e+01  0.00000e+00 0.00000e+00 3.34476e+02 29.755  4.88581e+01 29.755  0.9780 
1 1 1 15 8  2  o 4  2.79495e+02 4.06759e+00 3.01628e+02 210.128 -2.40304e+01 -1.39457e+01 0.00000e+00 0.00000e+00 4.12372e+02 210.128 1.10745e+02 210.128 0.9818 
1 1 1 15 8  3  o 17 1.72179e+02 5.10255e+00 1.63668e+02 257.975 -1.92284e+00 -9.02700e+00 0.00000e+00 0.00000e+00 2.59212e+02 257.975 9.55441e+01 257.975 0.9442 
1 1 1 15 8  4  o 4  3.03207e+02 3.97935e+00 2.17107e+02 1.004   2.15846e+01  3.78342e-01  0.00000e+00 0.00000e+00 5.52902e+02 1.004   3.35795e+02 1.004   0.9766 
1 1 1 15 8  5  o 2  1.04020e+02 7.67045e+00 2.12446e+02 139.797 -5.41446e+00 4.57614e+00  0.00000e+00 0.00000e+00 3.80839e+01 139.797 1.74362e+02 319.796 0.9265 
1 1 1 15 8  6  o 18 2.86893e+02 4.12998e+00 3.24847e+02 343.038 2.89654e+01  -8.83438e+00 0.00000e+00 0.00000e+00 4.08167e+02 343.038 8.33197e+01 343.038 0.9833 
1 1 1 15 8  7  o 12 2.85484e+02 4.30352e+00 1.35005e+02 288.799 4.73251e+00  -1.39021e+01 0.00000e+00 0.00000e+00 5.80642e+02 288.799 4.45637e+02 288.799 0.9653 
1 1 1 15 8  8  o 1  2.54266e+02 4.11836e+00 3.10341e+02 242.352 -1.38747e+01 -2.64858e+01 0.00000e+00 0.00000e+00 3.38385e+02 242.352 2.80440e+01 242.352 0.9831 
1 1 1 15 8  9  o 13 1.18797e+02 6.49651e+00 1.23500e+02 54.370  3.17636e+00  4.43179e+00  0.00000e+00 0.00000e+00 1.54660e+02 54.370  3.11605e+01 54.370  0.9029 
1 1 1 15 8  10 o 7  1.50362e+02 5.38017e+00 2.33226e+02 349.638 1.28015e+01  -2.34066e+00 0.00000e+00 0.00000e+00 1.41096e+02 349.638 9.21300e+01 169.638 0.9608 
1 1 1 15 8  11 o 9  3.46293e+02 4.14246e+00 4.68063e+02 90.877  -8.80913e-01 5.75171e+01  0.00000e+00 0.00000e+00 4.20582e+02 90.877  4.74816e+01 270.877 0.9913 
1 1 1 15 8  12 o 1  5.38117e+02 4.34014e+00 5.80701e+02 188.346 -1.08582e+02 -1.59300e+01 0.00000e+00 0.00000e+00 8.04621e+02 188.346 2.23919e+02 188.346 0.9954 
1 1 1 15 8  13 o 18 1.12551e+02 7.26882e+00 1.14971e+02 277.844 6.04503e-01  -4.38818e+00 0.00000e+00 0.00000e+00 1.40386e+02 277.844 2.54159e+01 277.844 0.8782 
1 1 1 15 8  16 o 17 1.96103e+02 4.85059e+00 2.58473e+02 349.775 2.13100e+01  -3.84386e+00 0.00000e+00 0.00000e+00 2.34448e+02 349.775 2.40250e+01 169.775 0.9766 
1 1 1 15 8  17 o 9  1.46244e+02 5.48823e+00 1.00680e+02 151.658 -5.44624e+00 2.93764e+00  0.00000e+00 0.00000e+00 2.43298e+02 151.658 1.42618e+02 151.658 0.9152 
1 1 1 15 8  18 o 7  1.43553e+02 5.41124e+00 1.43526e+02 7.384   9.81819e+00  1.27230e+00  0.00000e+00 0.00000e+00 2.05727e+02 7.384   6.22012e+01 7.384   0.9481 
1 1 1 15 8  19 o 9  1.65039e+02 4.71657e+00 1.95025e+02 211.378 -1.30879e+01 -7.98197e+00 0.00000e+00 0.00000e+00 2.13788e+02 211.378 1.87636e+01 211.378 0.9668 
1 1 1 15 8  20 f 0  1.12262e+02 6.45368e+00 4.77219e+01 95.960  -2.58801e-01 2.47897e+00  0.00000e+00 0.00000e+00 1.71705e+02 95.960  1.23983e+02 95.960  0.7642 
1 1 1 15 8  21 o 4  2.27288e+02 4.15667e+00 1.71517e+02 329.115 1.55546e+01  -9.30362e+00 0.00000e+00 0.00000e+00 3.92569e+02 329.115 2.21052e+02 329.115 0.9720 
1 1 1 15 8  22 o 15 8.41338e+01 8.98011e+00 3.27978e+01 300.335 6.26085e-01  -1.06991e+00 0.00000e+00 0.00000e+00 7.97479e+01 300.335 4.69500e+01 300.335 0.5249 
1 1 1 15 8  23 o 19 1.67287e+02 4.77337e+00 2.71461e+02 295.556 1.01469e+01  -2.12197e+01 0.00000e+00 0.00000e+00 1.44905e+02 295.556 1.26555e+02 115.556 0.9785 
1 1 1 15 8  24 o 19 2.32158e+02 4.21725e+00 2.39994e+02 39.022  2.21311e+01  1.79352e+01  0.00000e+00 0.00000e+00 3.38890e+02 39.022  9.88954e+01 39.022  0.9823 
1 1 1 15 8  25 o 17 1.89939e+02 5.33179e+00 1.47826e+02 337.438 1.50363e+01  -6.24741e+00 0.00000e+00 0.00000e+00 3.18290e+02 337.438 1.70464e+02 337.438 0.9688 
1 1 1 15 8  26 o 11 5.96412e+01 1.17712e+01 1.06248e+02 307.802 1.93371e+00  -2.49270e+00 0.00000e+00 0.00000e+00 1.74844e+01 307.802 8.87636e+01 127.802 0.8208 
1 1 1 15 8  27 o 15 2.86311e+02 5.28064e+00 2.58670e+02 13.208  5.14369e+01  1.20718e+01  0.00000e+00 0.00000e+00 4.56468e+02 13.208  1.97798e+02 13.208  0.9905 
1 1 1 15 8  28 o 10 2.79202e+02 4.62072e+00 2.41390e+02 182.524 -4.74850e+01 -2.09316e+00 0.00000e+00 0.00000e+00 4.53590e+02 182.524 2.12200e+02 182.524 0.9894 
1 1 1 15 8  29 o 5  1.05093e+02 7.50289e+00 1.64202e+02 214.929 -9.99090e+00 -6.97723e+00 0.00000e+00 0.00000e+00 8.84737e+01 214.929 7.57287e+01 34.929  0.9580 
1 1 1 15 8  30 o 10 4.25625e+01 1.12305e+01 6.93282e+01 325.676 1.62603e+00  -1.11019e+00 0.00000e+00 0.00000e+00 4.46325e+00 325.676 6.48650e+01 145.676 0.6926 
1 1 1 15 8  31 o 4  2.55336e+02 4.41768e+00 3.26008e+02 197.658 -5.85462e+01 -1.86372e+01 0.00000e+00 0.00000e+00 3.06264e+02 197.658 1.97440e+01 17.658  0.9918 
1 1 1 15 8  32 o 14 1.21447e+02 6.01988e+00 1.53854e+02 18.715  1.39463e+01  4.72453e+00  0.00000e+00 0.00000e+00 1.38076e+02 18.715  1.57777e+01 198.715 0.9654 
1 1 1 15 8  33 o 14 8.30361e+01 9.29065e+00 1.20832e+02 73.023  2.11006e+00  6.91174e+00  0.00000e+00 0.00000e+00 7.04895e+01 73.023  5.03425e+01 253.023 0.9280 
1 1 1 15 8  34 o 9  1.19161e+02 5.95800e+00 1.21882e+02 322.233 1.08467e+01  -8.40339e+00 0.00000e+00 0.00000e+00 1.62166e+02 322.233 4.02841e+01 322.233 0.9628 
1 1 1 15 8  35 o 8  8.64708e+01 7.22432e+00 1.74504e+02 285.744 3.36298e+00  -1.19291e+01 0.00000e+00 0.00000e+00 3.01376e+01 285.744 1.44366e+02 105.744 0.9588 
1 1 1 15 8  36 o 10 1.03285e+02 6.53022e+00 1.11237e+02 222.545 -8.66206e+00 -7.94985e+00 0.00000e+00 0.00000e+00 1.31868e+02 222.545 2.06312e+01 222.545 0.9565 
1 1 1 15 8  37 o 17 1.15121e+02 6.02475e+00 1.05845e+02 173.901 -1.28496e+01 1.37289e+00  0.00000e+00 0.00000e+00 1.65400e+02 173.901 5.95545e+01 173.901 0.9605 
1 1 1 15 8  38 o 4  4.99471e+01 1.08042e+01 3.57254e+01 108.637 -5.20609e-01 1.54369e+00  0.00000e+00 0.00000e+00 4.07842e+01 108.637 5.05885e+00 108.637 0.6265 
1 1 1 15 8  39 o 19 1.40914e+02 5.31618e+00 1.69188e+02 122.894 -1.53819e+01 2.37823e+01  0.00000e+00 0.00000e+00 1.68110e+02 122.894 1.07760e+00 302.894 0.9822 
1 1 1 15 8  41 o 18 6.06081e+01 1.04936e+01 4.03283e+01 4.852   3.06530e+00  2.60217e-01  0.00000e+00 0.00000e+00 7.92927e+01 4.852   3.89644e+01 4.852   0.8155 
1 1 1 15 8  42 o 12 1.27982e+02 5.53736e+00 1.08209e+02 69.663  6.97633e+00  1.88225e+01  0.00000e+00 0.00000e+00 1.92648e+02 69.663  8.44390e+01 69.663  0.9748 
1 1 1 15 8  43 o 8  4.84004e+01 1.02432e+01 7.26137e+01 252.549 -1.28337e+00 -4.08243e+00 0.00000e+00 0.00000e+00 2.89679e+01 252.549 4.36458e+01 72.549  0.8735 
1 1 1 15 8  44 o 1  7.29964e+01 1.02308e+01 1.00253e+02 243.072 -4.40877e+00 -8.67949e+00 0.00000e+00 0.00000e+00 6.52525e+01 243.072 3.50006e+01 63.072  0.9472 
1 1 1 15 8  45 o 3  8.89982e+01 6.94944e+00 7.88641e+01 271.548 3.09329e-01  -1.14439e+01 0.00000e+00 0.00000e+00 1.23872e+02 271.548 4.50080e+01 271.548 0.9553 
1 1 1 15 8  46 o 2  1.37325e+02 6.10745e+00 1.75378e+02 191.524 -3.91094e+01 -7.97382e+00 0.00000e+00 0.00000e+00 1.46696e+02 191.524 2.86823e+01 11.524  0.9874 
1 1 1 15 8  47 o 12 1.20445e+02 5.50202e+00 1.19735e+02 192.057 -2.66976e+01 -5.70257e+00 0.00000e+00 0.00000e+00 1.59944e+02 192.057 4.02091e+01 192.057 0.9815 
1 1 1 15 8  48 o 7  2.84264e+01 9.22937e+00 4.27807e+01 308.017 1.23607e+00  -1.58114e+00 0.00000e+00 0.00000e+00 4.02952e+00 308.017 3.87512e+01 128.017 0.6989 
1 1 1 15 8  49 o 16 4.76628e+01 1.10294e+01 6.52248e+01 12.569  5.05967e+00  1.12805e+00  0.00000e+00 0.00000e+00 3.51403e+01 12.569  3.00845e+01 192.569 0.8975 
1 1 1 15 8  50 o 14 1.00802e+02 6.71428e+00 1.16147e+02 312.533 1.66589e+01  -1.81591e+01 0.00000e+00 0.00000e+00 1.14526e+02 312.533 1.62045e+00 132.533 0.9795 
1 1 1 15 8  51 o 4  4.57626e+01 1.15946e+01 4.22659e+01 218.647 -2.69183e+00 -2.15250e+00 0.00000e+00 0.00000e+00 4.69671e+01 218.647 4.70122e+00 218.647 0.8383 
1 1 1 15 8  52 o 12 7.85660e+01 9.36347e+00 1.04660e+02 128.217 -1.06705e+01 1.35516e+01  0.00000e+00 0.00000e+00 7.19283e+01 128.217 3.27314e+01 308.217 0.9706 
1 1 1 15 8  53 o 16 4.78817e+01 1.18311e+01 3.48352e+01 182.238 -3.43734e+00 -1.34328e-01 0.00000e+00 0.00000e+00 5.76559e+01 182.238 2.28207e+01 182.238 0.8379 
1 1 1 15 8  54 o 11 2.81766e+01 9.25536e+00 3.34822e+01 159.759 -2.03482e+00 7.50300e-01  0.00000e+00 0.00000e+00 1.33057e+01 159.759 2.01764e+01 339.759 0.7236 
1 1 1 15 9  0  o 6  2.45060e+02 6.11211e+00 1.74558e+02 0.000   7.99358e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.64708e+02 0.000   2.90150e+02 0.000   1.0000 
1 1 1 15 9  1  o 10 1.21035e+02 6.80168e+00 1.18776e+02 240.924 -2.57525e+00 -4.63146e+00 0.00000e+00 0.00000e+00 1.65336e+02 240.924 4.65600e+01 240.924 0.8999 
1 1 1 15 9  2  o 18 3.41148e+02 3.99862e+00 4.10881e+02 230.645 -3.18549e+01 -3.88434e+01 0.00000e+00 0.00000e+00 4.69987e+02 230.645 5.91054e+01 230.645 0.9900 
1 1 1 15 9  3  o 6  3.50076e+02 3.93050e+00 3.83641e+02 357.498 4.79964e+01  -2.09684e+00 0.00000e+00 0.00000e+00 5.19667e+02 357.498 1.36026e+02 357.498 0.9895 
1 1 1 15 9  4  o 18 2.74397e+02 4.16774e+00 4.19895e+02 128.757 -2.57021e+01 3.20159e+01  0.00000e+00 0.00000e+00 2.86640e+02 128.757 1.33255e+02 308.757 0.9877 
1 1 1 15 9  5  o 3  1.84812e+02 4.77667e+00 1.51680e+02 49.093  6.49999e+00  7.50182e+00  0.00000e+00 0.00000e+00 3.04960e+02 49.093  1.53280e+02 49.093  0.9482 
1 1 1 15 9  6  o 8  3.07096e+02 3.99481e+00 4.76637e+02 42.647  3.80675e+01  3.50623e+01  0.00000e+00 0.00000e+00 3.15448e+02 42.647  1.61189e+02 222.647 0.9903 
1 1 1 15 9  7  o 9  2.41783e+02 4.82067e+00 2.77961e+02 142.210 -1.86146e+01 1.44338e+01  0.00000e+00 0.00000e+00 3.37916e+02 142.210 5.99545e+01 142.210 0.9785 
1 1 1 15 9  8  o 10 4.28617e+02 4.63644e+00 4.90419e+02 15.760  7.05185e+01  1.99010e+01  0.00000e+00 0.00000e+00 6.16957e+02 15.760  1.26538e+02 15.760  0.9932 
1 1 1 15 9  12 o 4  3.26188e+02 4.49876e+00 2.41335e+02 171.828 -3.35852e+01 4.82309e+00  0.00000e+00 0.00000e+00 5.91737e+02 171.828 3.50403e+02 171.828 0.9852 
1 1 1 15 9  13 o 15 1.50518e+02 5.25349e+00 1.99630e+02 224.847 -9.05662e+00 -9.00824e+00 0.00000e+00 0.00000e+00 1.74578e+02 224.847 2.50518e+01 44.847  0.9600 
1 1 1 15 9  14 o 17 3.05033e+02 3.95942e+00 3.92900e+02 212.263 -4.29161e+01 -2.70916e+01 0.00000e+00 0.00000e+00 3.88300e+02 212.263 4.59963e+00 32.263  0.9901 
1 1 1 15 9  15 o 9  1.57666e+02 5.03870e+00 1.89767e+02 172.164 -1.43106e+01 1.96957e+00  0.00000e+00 0.00000e+00 2.03188e+02 172.164 1.34211e+01 172.164 0.9647 
1 1 1 15 9  16 o 16 2.30517e+02 4.16044e+00 3.40522e+02 239.737 -1.89854e+01 -3.25375e+01 0.00000e+00 0.00000e+00 2.46255e+02 239.737 9.42672e+01 59.737  0.9866 
1 1 1 15 9  17 o 9  3.67534e+02 3.94158e+00 4.89991e+02 80.052  1.48013e+01  8.43916e+01  0.00000e+00 0.00000e+00 4.51341e+02 80.052  3.86500e+01 260.052 0.9941 
1 1 1 15 9  18 o 12 2.87347e+02 3.86014e+00 3.07430e+02 74.308  1.12245e+01  3.99527e+01  0.00000e+00 0.00000e+00 4.22781e+02 74.308  1.15352e+02 74.308  0.9879 
1 1 1 15 9  19 o 12 2.65721e+02 3.90252e+00 2.32144e+02 234.842 -1.67641e+01 -2.38018e+01 0.00000e+00 0.00000e+00 4.38482e+02 234.842 2.06337e+02 234.842 0.9827 
1 1 1 15 9  20 o 6  2.23964e+02 4.15103e+00 2.81297e+02 65.706  1.20442e+01  2.66819e+01  0.00000e+00 0.00000e+00 2.83047e+02 65.706  1.74995e+00 65.706  0.9828 
1 1 1 15 9  21 o 8  3.13477e+02 3.95690e+00 3.36248e+02 190.347 -5.38923e+01 -9.83915e+00 0.00000e+00 0.00000e+00 4.58725e+02 190.347 1.22477e+02 190.347 0.9908 
1 1 1 15 9  22 o 4  2.66909e+02 4.04464e+00 2.75249e+02 246.472 -1.74509e+01 -4.00806e+01 0.00000e+00 0.00000e+00 3.98781e+02 246.472 1.23532e+02 246.472 0.9885 
1 1 1 15 9  23 o 1  2.22055e+02 4.79878e+00 2.81424e+02 55.338  2.07265e+01  2.99756e+01  0.00000e+00 0.00000e+00 2.76939e+02 55.338  4.48498e+00 235.338 0.9862 
1 1 1 15 9  24 f 0  2.23763e+02 4.75709e+00 2.49382e+02 206.967 -2.67861e+01 -1.36287e+01 0.00000e+00 0.00000e+00 3.10450e+02 206.967 6.10677e+01 206.967 0.9832 
1 1 1 15 9  25 o 10 1.23145e+02 6.44401e+00 1.63373e+02 304.036 7.96945e+00  -1.17992e+01 0.00000e+00 0.00000e+00 1.38132e+02 304.036 2.52408e+01 124.036 0.9642 
1 1 1 15 9  26 f 0  1.75909e+02 5.03492e+00 1.54234e+02 335.292 1.83235e+01  -8.43104e+00 0.00000e+00 0.00000e+00 2.80265e+02 335.292 1.26031e+02 335.292 0.9749 
1 1 1 15 9  27 o 11 1.52855e+02 5.41609e+00 2.07546e+02 239.507 -1.17261e+01 -1.99128e+01 0.00000e+00 0.00000e+00 1.70394e+02 239.507 3.71526e+01 59.507  0.9781 
1 1 1 15 9  28 o 10 1.30737e+02 5.53207e+00 1.45328e+02 338.318 1.29050e+01  -5.13074e+00 0.00000e+00 0.00000e+00 1.72270e+02 338.318 2.69423e+01 338.318 0.9633 
1 1 1 15 9  29 o 17 9.92530e+01 7.72384e+00 6.91517e+01 45.110  3.47817e+00  3.49157e+00  0.00000e+00 0.00000e+00 1.53493e+02 45.110  8.43417e+01 45.110  0.8917 
1 1 1 15 9  30 o 8  1.16521e+02 6.34855e+00 8.49596e+01 27.398  6.96956e+00  3.61236e+00  0.00000e+00 0.00000e+00 1.88112e+02 27.398  1.03152e+02 27.398  0.9339 
1 1 1 15 9  31 o 18 9.72324e+01 7.35244e+00 3.56506e+01 38.230  2.04208e+00  1.60869e+00  0.00000e+00 0.00000e+00 1.53039e+02 38.230  1.17389e+02 38.230  0.7754 
1 1 1 15 9  32 o 18 1.68977e+02 4.99428e+00 2.21186e+02 34.429  2.98559e+01  2.04651e+01  0.00000e+00 0.00000e+00 1.94695e+02 34.429  2.64913e+01 214.429 0.9861 
1 1 1 15 9  33 o 15 7.47361e+01 9.22433e+00 1.10900e+02 345.457 6.45665e+00  -1.67499e+00 0.00000e+00 0.00000e+00 6.05379e+01 345.457 5.03622e+01 165.457 0.9217 
1 1 1 15 9  34 f 0  5.18829e+01 1.08246e+01 5.11868e+01 255.883 -6.13234e-01 -2.43842e+00 0.00000e+00 0.00000e+00 4.75131e+01 255.883 3.67370e+00 75.884  0.7665 
1 1 1 15 9  35 o 10 8.68076e+01 6.97318e+00 9.99855e+01 114.244 -3.77568e+00 8.38388e+00  0.00000e+00 0.00000e+00 1.02766e+02 114.244 2.78055e+00 114.244 0.9439 
1 1 1 15 9  36 o 2  1.77649e+02 4.34124e+00 1.96773e+02 256.014 -8.80634e+00 -3.53576e+01 0.00000e+00 0.00000e+00 2.35391e+02 256.014 3.86184e+01 256.014 0.9862 
1 1 1 15 9  37 o 19 1.58447e+02 4.51510e+00 1.81418e+02 185.853 -3.49607e+01 -3.58413e+00 0.00000e+00 0.00000e+00 2.02623e+02 185.853 2.12052e+01 185.853 0.9857 
1 1 1 15 9  38 o 14 1.24199e+02 5.35248e+00 1.42757e+02 32.565  1.91293e+01  1.22174e+01  0.00000e+00 0.00000e+00 1.54881e+02 32.565  1.21237e+01 32.565  0.9777 
1 1 1 15 9  40 o 8  8.86813e+01 6.93316e+00 7.22947e+01 166.042 -8.63655e+00 2.14654e+00  0.00000e+00 0.00000e+00 1.31093e+02 166.042 5.87988e+01 166.042 0.9420 
1 1 1 15 9  41 o 2  7.16975e+01 9.15197e+00 4.63121e+01 348.491 4.31126e+00  -8.77871e-01 0.00000e+00 0.00000e+00 1.06294e+02 348.491 5.99823e+01 348.491 0.8773 
1 1 1 15 9  42 o 10 1.53574e+02 5.53860e+00 2.01373e+02 196.638 -4.34537e+01 -1.29853e+01 0.00000e+00 0.00000e+00 1.65771e+02 196.638 3.56018e+01 16.638  0.9889 
1 1 1 15 9  43 o 15 6.84244e+01 9.72496e+00 7.75418e+01 351.892 7.09988e+00  -1.01144e+00 0.00000e+00 0.00000e+00 7.53020e+01 351.892 2.23980e+00 171.892 0.9274 
1 1 1 15 9  44 o 8  8.29088e+01 8.29120e+00 1.02132e+02 115.205 -5.65981e+00 1.20250e+01  0.00000e+00 0.00000e+00 8.91785e+01 115.205 1.29538e+01 295.205 0.9616 
1 1 1 15 9  45 o 17 3.58448e+01 1.03122e+01 1.06502e+02 124.411 -3.11018e+00 4.54049e+00  0.00000e+00 0.00000e+00 2.90533e+01 304.411 1.35555e+02 304.411 0.9039 
1 1 1 15 9  46 o 15 8.59487e+01 7.14738e+00 1.19007e+02 57.165  1.00476e+01  1.55702e+01  0.00000e+00 0.00000e+00 8.00402e+01 57.165  3.89665e+01 237.165 0.9726 
1 1 1 15 9  47 o 2  5.07522e+01 1.07365e+01 2.21207e+01 185.473 -1.74431e+00 -1.67142e-01 0.00000e+00 0.00000e+00 5.64266e+01 185.473 3.43060e+01 185.473 0.6526 
1 1 1 15 9  48 o 3  1.00380e+02 6.74267e+00 1.11272e+02 215.307 -1.79086e+01 -1.26835e+01 0.00000e+00 0.00000e+00 1.20341e+02 215.307 9.06901e+00 215.307 0.9769 
1 1 1 15 9  49 o 9  1.33336e+02 6.33605e+00 1.47637e+02 229.386 -2.73884e+01 -3.19389e+01 0.00000e+00 0.00000e+00 1.62213e+02 229.386 1.45759e+01 229.386 0.9880 
1 1 1 15 9  50 o 10 3.00354e+01 9.95559e+00 5.61404e+01 306.471 2.07692e+00  -2.80979e+00 0.00000e+00 0.00000e+00 3.00153e+00 306.471 5.31389e+01 126.471 0.8408 
1 1 1 15 9  51 o 14 7.18249e+01 1.06197e+01 1.08852e+02 284.241 3.81040e+00  -1.50139e+01 0.00000e+00 0.00000e+00 5.31260e+01 284.241 5.57258e+01 104.241 0.9672 
1 1 1 15 9  52 o 10 6.49980e+01 1.19234e+01 8.67352e+01 344.360 1.11543e+01  -3.12272e+00 0.00000e+00 0.00000e+00 5.74837e+01 344.360 2.92515e+01 164.360 0.9558 
1 1 1 15 9  53 o 8  6.33465e+01 1.20825e+01 6.01061e+01 69.380  2.66406e+00  7.07993e+00  0.00000e+00 0.00000e+00 7.62318e+01 69.380  1.61256e+01 69.380  0.9313 
1 1 1 15 10 1  o 11 5.97745e+01 2.46932e+01 8.33534e+01 14.894  1.46902e+00  3.90717e-01  0.00000e+00 0.00000e+00 1.06185e+01 14.894  7.27348e+01 194.894 0.6011 
1 1 1 15 10 2  o 3  1.42738e+02 1.94925e+01 2.85973e+02 176.866 -1.36771e+01 7.48880e-01  0.00000e+00 0.00000e+00 7.34232e+01 176.866 2.12550e+02 356.866 0.9628 
1 1 1 15 10 3  o 8  6.38286e+01 1.24341e+01 1.14258e+02 7.971   2.68475e+00  3.75910e-01  0.00000e+00 0.00000e+00 1.69370e+01 7.971   9.73209e+01 187.971 0.7861 
1 1 1 15 10 4  o 19 1.10383e+02 8.65254e+00 2.13842e+02 139.403 -7.56026e+00 6.47914e+00  0.00000e+00 0.00000e+00 5.97873e+01 139.403 1.54055e+02 319.403 0.9484 
1 1 1 15 10 5  o 15 1.03505e+02 8.75281e+00 2.84420e+02 353.324 1.22800e+01  -1.43723e+00 0.00000e+00 0.00000e+00 2.51562e+01 173.325 3.09576e+02 173.325 0.9587 
1 1 1 15 10 6  o 4  2.28971e+02 4.99480e+00 1.37599e+02 338.387 1.26067e+01  -4.99464e+00 0.00000e+00 0.00000e+00 4.37893e+02 338.387 3.00295e+02 338.387 0.9624 
1 1 1 15 10 7  o 15 2.09475e+02 5.34169e+00 2.85137e+02 295.840 1.11263e+01  -2.29746e+01 0.00000e+00 0.00000e+00 2.50805e+02 295.840 3.43316e+01 115.840 0.9802 
1 1 1 15 10 8  o 14 1.16727e+02 6.87365e+00 1.30651e+02 293.133 2.51979e+00  -5.89810e+00 0.00000e+00 0.00000e+00 1.48965e+02 293.133 1.83136e+01 293.133 0.9183 
1 1 1 15 10 9  o 12 3.11070e+02 3.90411e+00 2.81664e+02 262.183 -5.87600e+00 -4.28004e+01 0.00000e+00 0.00000e+00 5.19712e+02 262.183 2.38048e+02 262.183 0.9884 
1 1 1 15 10 10 o 18 9.90236e+01 7.83710e+00 1.21277e+02 211.036 -4.89508e+00 -2.94547e+00 0.00000e+00 0.00000e+00 1.12805e+02 211.036 8.47150e+00 31.036  0.9077 
1 1 1 15 10 11 o 6  2.63409e+02 4.04190e+00 2.94884e+02 103.568 -8.85127e+00 3.66751e+01  0.00000e+00 0.00000e+00 3.81373e+02 103.568 8.64889e+01 103.568 0.9867 
1 1 1 15 10 12 o 4  5.97241e+01 1.13011e+01 8.64144e+01 34.876  1.90680e+00  1.32902e+00  0.00000e+00 0.00000e+00 2.91622e+01 34.876  5.72522e+01 214.876 0.7445 
1 1 1 15 10 13 f 0  2.46016e+02 4.07437e+00 1.99974e+02 51.492  1.46510e+01  1.84136e+01  0.00000e+00 0.00000e+00 4.25123e+02 51.492  2.25149e+02 51.492  0.9785 
1 1 1 15 10 14 o 3  1.16629e+02 6.19178e+00 1.70125e+02 151.132 -8.11943e+00 4.47628e+00  0.00000e+00 0.00000e+00 1.15557e+02 151.132 5.45680e+01 331.132 0.9444 
1 1 1 15 10 15 o 4  1.32600e+02 5.70406e+00 6.97898e+01 288.648 1.39837e+00  -4.14362e+00 0.00000e+00 0.00000e+00 2.31271e+02 288.648 1.61481e+02 288.648 0.8765 
1 1 1 15 10 16 o 10 1.60547e+02 5.12496e+00 1.92657e+02 347.112 1.41417e+01  -3.23571e+00 0.00000e+00 0.00000e+00 2.08089e+02 347.112 1.54315e+01 347.112 0.9649 
1 1 1 15 10 17 o 5  1.12624e+02 7.39487e+00 1.55301e+02 353.188 8.94486e+00  -1.06849e+00 0.00000e+00 0.00000e+00 1.18979e+02 353.188 3.63219e+01 173.188 0.9427 
1 1 1 15 10 18 o 18 6.54241e+01 1.13285e+01 6.10857e+01 247.822 -7.32454e-01 -1.79683e+00 0.00000e+00 0.00000e+00 5.49717e+01 247.822 6.11397e+00 67.822  0.6877 
1 1 1 15 10 19 o 12 2.21435e+02 4.73419e+00 2.43029e+02 74.059  8.81667e+00  3.08668e+01  0.00000e+00 0.00000e+00 3.18267e+02 74.059  7.52379e+01 74.059  0.9843 
1 1 1 15 10 20 o 12 1.49400e+02 5.77410e+00 1.63813e+02 230.311 -9.12648e+00 -1.09973e+01 0.00000e+00 0.00000e+00 2.06590e+02 230.311 4.27766e+01 230.311 0.9644 
1 1 1 15 10 21 o 3  4.12572e+01 1.09886e+01 6.73017e+01 57.057  7.69625e-01  1.18770e+00  0.00000e+00 0.00000e+00 6.47540e+00 237.057 7.37771e+01 237.057 0.5745 
1 1 1 15 10 22 o 15 1.03947e+02 6.96070e+00 1.55778e+02 37.854  9.10347e+00  7.07525e+00  0.00000e+00 0.00000e+00 9.86719e+01 37.854  5.71065e+01 217.854 0.9556 
1 1 1 15 10 23 o 2  1.07029e+02 6.67890e+00 9.58828e+01 116.215 -3.19439e+00 6.48762e+00  0.00000e+00 0.00000e+00 1.58060e+02 116.215 6.21770e+01 116.215 0.9280 
1 1 1 15 10 24 o 5  1.95487e+02 4.40326e+00 1.95060e+02 300.991 1.46755e+01  -2.44333e+01 0.00000e+00 0.00000e+00 2.94890e+02 300.991 9.98309e+01 300.991 0.9823 
1 1 1 15 10 25 o 17 9.39953e+01 7.32894e+00 9.09770e+01 227.958 -4.17004e+00 -4.62453e+00 0.00000e+00 0.00000e+00 1.28180e+02 227.958 3.72031e+01 227.958 0.9157 
1 1 1 15 10 26 o 5  2.32495e+02 4.09481e+00 2.12527e+02 206.913 -3.27044e+01 -1.66012e+01 0.00000e+00 0.00000e+00 3.70017e+02 206.913 1.57490e+02 206.913 0.9863 
1 1 1 15 10 27 o 10 1.91972e+02 4.38133e+00 2.41976e+02 171.089 -3.43335e+01 5.38338e+00  0.00000e+00 0.00000e+00 2.37560e+02 171.089 4.41542e+00 351.089 0.9855 
1 1 1 15 10 28 o 1  1.16598e+02 5.95903e+00 1.17300e+02 20.865  1.02316e+01  3.89983e+00  0.00000e+00 0.00000e+00 1.63734e+02 20.865  4.64337e+01 20.865  0.9532 
1 1 1 15 10 29 o 8  1.82167e+02 4.48578e+00 2.03741e+02 254.665 -7.65082e+00 -2.78990e+01 0.00000e+00 0.00000e+00 2.47757e+02 254.665 4.40159e+01 254.665 0.9826 
1 1 1 15 10 30 o 2  3.61462e+01 1.04231e+01 5.38394e+01 31.641  1.46570e+00  9.03158e-01  0.00000e+00 0.00000e+00 4.94259e+00 31.641  4.88968e+01 211.641 0.6463 
1 1 1 15 10 31 o 13 1.14168e+02 6.13767e+00 1.03351e+02 335.571 9.15214e+00  -4.15723e+00 0.00000e+00 0.00000e+00 1.68501e+02 335.571 6.51506e+01 335.571 0.9489 
1 1 1 15 10 32 o 13 2.12577e+02 4.07165e+00 2.57610e+02 72.914  1.74416e+01  5.67426e+01  0.00000e+00 0.00000e+00 2.69894e+02 72.914  1.22836e+01 72.914  0.9915 
1 1 1 15 10 33 o 1  1.26886e+02 5.46235e+00 1.60644e+02 76.455  5.23922e+00  2.17479e+01  0.00000e+00 0.00000e+00 1.48857e+02 76.455  1.17872e+01 256.455 0.9774 
1 1 1 15 10 34 o 6  9.76158e+01 7.24755e+00 1.24429e+02 88.526  3.15544e-01  1.22648e+01  0.00000e+00 0.00000e+00 1.08361e+02 88.526  1.60676e+01 268.526 0.9583 
1 1 1 15 10 35 o 9  1.49709e+02 5.24567e+00 2.09993e+02 94.120  -2.76606e+00 3.83990e+01  0.00000e+00 0.00000e+00 1.56584e+02 94.120  5.34096e+01 274.120 0.9869 
1 1 1 15 10 36 o 18 2.93438e+01 9.52583e+00 3.27706e+01 141.034 -8.81998e-01 7.13358e-01  0.00000e+00 0.00000e+00 2.93747e+00 141.034 2.98332e+01 321.034 0.4920 
1 1 1 15 10 38 o 10 1.07953e+02 6.58659e+00 1.58527e+02 276.786 2.87025e+00  -2.41196e+01 0.00000e+00 0.00000e+00 1.01271e+02 276.786 5.72562e+01 96.786  0.9792 
1 1 1 15 10 39 o 15 3.55074e+01 1.02452e+01 3.49267e+01 319.290 1.21994e+00  -1.04969e+00 0.00000e+00 0.00000e+00 1.91759e+01 319.290 1.57508e+01 139.290 0.6220 
1 1 1 15 10 40 o 4  1.32733e+02 5.18873e+00 1.72397e+02 110.680 -1.12954e+01 2.99244e+01  0.00000e+00 0.00000e+00 1.46527e+02 110.680 2.58693e+01 290.680 0.9842 
1 1 1 15 10 41 o 10 1.05287e+02 6.37702e+00 1.15016e+02 176.482 -1.73657e+01 1.06747e+00  0.00000e+00 0.00000e+00 1.33643e+02 176.482 1.86267e+01 176.482 0.9708 
1 1 1 15 10 42 o 19 1.63274e+02 4.73380e+00 1.89660e+02 39.277  4.19798e+01  3.43324e+01  0.00000e+00 0.00000e+00 2.02452e+02 39.277  1.27921e+01 39.277  0.9907 
1 1 1 15 10 43 o 2  1.36519e+02 5.86410e+00 1.40976e+02 87.499  1.42833e+00  3.26982e+01  0.00000e+00 0.00000e+00 1.83660e+02 87.499  4.26834e+01 87.499  0.9846 
1 1 1 15 10 44 o 10 1.71808e+02 4.77516e+00 1.78489e+02 12.405  5.03794e+01  1.10811e+01  0.00000e+00 0.00000e+00 2.30870e+02 12.405  5.23813e+01 12.405  0.9903 
1 1 1 15 10 45 o 2  5.94267e+01 1.07324e+01 8.96484e+01 42.988  6.19294e+00  5.77268e+00  0.00000e+00 0.00000e+00 4.40925e+01 42.988  4.55559e+01 222.988 0.9389 
1 1 1 15 10 46 o 15 3.57890e+01 1.08337e+01 7.65536e+01 203.908 -3.93011e+00 -1.74223e+00 0.00000e+00 0.00000e+00 1.86471e+00 23.908  7.84183e+01 23.908  0.8741 
1 1 1 15 10 47 o 6  4.72451e+01 1.12621e+01 4.47653e+01 289.787 1.18226e+00  -3.28617e+00 0.00000e+00 0.00000e+00 4.96838e+01 289.787 4.91845e+00 289.787 0.8407 
1 1 1 15 10 48 o 11 8.32823e+01 8.45415e+00 1.16052e+02 277.417 2.61060e+00  -2.00551e+01 0.00000e+00 0.00000e+00 7.62377e+01 277.417 3.98143e+01 97.417  0.9750 
1 1 1 15 10 49 o 12 3.85114e+01 1.08993e+01 6.52155e+01 258.766 -9.67367e-01 -4.87020e+00 0.00000e+00 0.00000e+00 1.58498e+01 258.766 4.93658e+01 78.766  0.8926 
1 1 1 15 10 50 o 17 8.37032e+01 8.52920e+00 6.51218e+01 253.016 -3.82062e+00 -1.25093e+01 0.00000e+00 0.00000e+00 1.23765e+02 253.016 5.86435e+01 253.016 0.9610 
1 1 1 15 10 51 o 18 1.03491e+02 7.29439e+00 9.80483e+01 187.030 -2.63051e+01 -3.24385e+00 0.00000e+00 0.00000e+00 1.39309e+02 187.030 4.12605e+01 187.030 0.9810 
1 1 1 15 10 52 o 13 2.96317e+01 9.83274e+00 2.64576e+01 80.007  3.40382e-01  1.93177e+00  0.00000e+00 0.00000e+00 2.12274e+01 80.007  5.23013e+00 260.007 0.6914 
1 1 1 15 11 0  o 15 4.41305e+02 6.80773e+00 6.54507e+02 180.000 -7.00213e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.03252e+02 180.000 1.51254e+02 0.000   1.0000 
1 1 1 15 11 1  o 12 1.52327e+02 6.90485e+00 2.29526e+02 308.641 1.04194e+01  -1.30328e+01 0.00000e+00 0.00000e+00 1.57918e+02 308.641 7.16080e+01 128.641 0.9696 
1 1 1 15 11 2  o 8  5.36427e+01 1.29416e+01 4.62699e+01 160.998 -1.04085e+00 3.58435e-01  0.00000e+00 0.00000e+00 2.14074e+01 160.998 2.48625e+01 340.998 0.4810 
1 1 1 15 11 3  o 16 2.28861e+02 4.55880e+00 3.90333e+02 334.039 3.89656e+01  -1.89717e+01 0.00000e+00 0.00000e+00 2.02882e+02 334.039 1.87451e+02 154.039 0.9884 
1 1 1 15 11 4  o 15 9.09992e+01 9.04017e+00 9.42129e+01 289.888 1.35867e+00  -3.75581e+00 0.00000e+00 0.00000e+00 1.11743e+02 289.888 1.75301e+01 289.888 0.8633 
1 1 1 15 11 5  o 14 1.67468e+02 5.21536e+00 3.23508e+02 1.640   2.60108e+01  7.44576e-01  0.00000e+00 0.00000e+00 1.06852e+02 1.640   2.16656e+02 181.640 0.9806 
1 1 1 15 11 6  o 7  1.28508e+02 6.23805e+00 1.29962e+02 157.225 -7.31239e+00 3.07005e+00  0.00000e+00 0.00000e+00 1.84655e+02 157.225 5.46929e+01 157.225 0.9346 
1 1 1 15 11 7  o 12 2.90530e+02 3.89793e+00 2.60477e+02 127.275 -2.19833e+01 2.88832e+01  0.00000e+00 0.00000e+00 4.89563e+02 127.275 2.29086e+02 127.275 0.9861 
1 1 1 15 11 8  o 5  1.69281e+02 4.72919e+00 2.58846e+02 219.724 -1.60033e+01 -1.32974e+01 0.00000e+00 0.00000e+00 1.73259e+02 219.724 8.55875e+01 39.724  0.9757 
1 1 1 15 11 9  o 13 2.44499e+02 4.21536e+00 2.17642e+02 111.903 -9.56928e+00 2.38009e+01  0.00000e+00 0.00000e+00 4.08976e+02 111.903 1.91334e+02 111.903 0.9803 
1 1 1 15 11 10 o 13 4.95429e+01 1.14332e+01 8.84532e+01 304.185 1.10090e+00  -1.62085e+00 0.00000e+00 0.00000e+00 9.71539e-01 304.185 8.74817e+01 124.185 0.6910 
1 1 1 15 11 11 o 5  1.82912e+02 4.97867e+00 1.25055e+02 284.942 2.78931e+00  -1.04524e+01 0.00000e+00 0.00000e+00 3.29684e+02 284.942 2.04629e+02 284.942 0.9526 
1 1 1 15 11 12 o 9  2.12231e+02 4.96872e+00 1.74157e+02 4.604   1.95745e+01  1.57639e+00  0.00000e+00 0.00000e+00 3.64902e+02 4.604   1.90746e+02 4.604   0.9742 
1 1 1 15 11 13 o 3  1.34804e+02 6.51865e+00 1.34168e+02 243.943 -4.13431e+00 -8.45515e+00 0.00000e+00 0.00000e+00 1.97710e+02 243.943 6.35417e+01 243.943 0.9453 
1 1 1 15 11 14 o 18 1.66924e+02 5.57647e+00 1.88051e+02 339.305 1.52581e+01  -5.76417e+00 0.00000e+00 0.00000e+00 2.32654e+02 339.305 4.46032e+01 339.305 0.9688 
1 1 1 15 11 15 o 1  2.40951e+02 4.95628e+00 3.10827e+02 94.996  -3.91451e+00 4.47800e+01  0.00000e+00 0.00000e+00 3.08196e+02 94.996  2.63069e+00 274.996 0.9888 
1 1 1 15 11 16 f 0  1.93400e+02 4.75971e+00 1.52795e+02 84.852  1.57746e+00  1.75080e+01  0.00000e+00 0.00000e+00 3.34525e+02 84.852  1.81730e+02 84.852  0.9711 
1 1 1 15 11 17 o 16 8.10503e+01 9.15252e+00 1.73753e+02 265.489 -5.85711e-01 -7.42456e+00 0.00000e+00 0.00000e+00 2.15923e+01 265.489 1.52161e+02 85.489  0.9302 
1 1 1 15 11 18 o 18 2.93501e+02 4.00239e+00 2.91142e+02 8.619   4.62910e+01  7.01662e+00  0.00000e+00 0.00000e+00 4.60013e+02 8.619   1.68871e+02 8.619   0.9893 
1 1 1 15 11 19 o 12 1.55301e+02 5.12055e+00 1.57511e+02 256.001 -4.31611e+00 -1.73128e+01 0.00000e+00 0.00000e+00 2.32215e+02 256.001 7.47048e+01 256.001 0.9716 
1 1 1 15 11 20 o 4  3.29939e+01 1.02326e+01 3.24309e+01 122.813 -3.89403e-01 6.03934e-01  0.00000e+00 0.00000e+00 3.67979e+00 302.813 3.61107e+01 302.813 0.3379 
1 1 1 15 11 21 o 10 1.20947e+02 6.13330e+00 2.24549e+02 113.659 -8.06539e+00 1.84092e+01  0.00000e+00 0.00000e+00 7.89286e+01 113.659 1.45621e+02 293.659 0.9748 
1 1 1 15 11 22 o 1  1.49139e+02 5.11322e+00 2.10005e+02 197.201 -2.25667e+01 -6.98606e+00 0.00000e+00 0.00000e+00 1.64975e+02 197.201 4.50299e+01 17.201  0.9786 
1 1 1 15 11 23 o 14 2.52601e+02 4.02849e+00 2.79123e+02 249.806 -1.82808e+01 -4.97021e+01 0.00000e+00 0.00000e+00 3.62475e+02 249.806 8.33519e+01 249.806 0.9905 
1 1 1 15 11 24 o 11 1.35157e+02 5.38408e+00 1.62514e+02 248.337 -6.08778e+00 -1.53269e+01 0.00000e+00 0.00000e+00 1.72711e+02 248.337 1.01969e+01 248.337 0.9692 
1 1 1 15 11 25 o 17 2.31372e+02 4.15946e+00 2.41177e+02 258.748 -9.01360e+00 -4.53073e+01 0.00000e+00 0.00000e+00 3.43246e+02 258.748 1.02068e+02 258.748 0.9891 
1 1 1 15 11 26 o 10 4.89937e+01 1.07956e+01 3.10899e+01 317.637 8.31725e-01  -7.58496e-01 0.00000e+00 0.00000e+00 2.99747e+01 317.637 1.11513e+00 137.637 0.4891 
1 1 1 15 11 27 o 18 3.29078e+02 3.96440e+00 3.70278e+02 143.339 -7.65761e+01 5.69978e+01  0.00000e+00 0.00000e+00 4.61934e+02 143.339 9.16551e+01 143.339 0.9947 
1 1 1 15 11 28 o 1  2.83504e+02 3.91930e+00 3.21925e+02 79.035  1.71760e+01  8.86507e+01  0.00000e+00 0.00000e+00 3.93117e+02 79.035  7.11915e+01 79.035  0.9944 
1 1 1 15 11 29 o 10 7.85088e+01 9.17943e+00 7.97428e+01 135.240 -3.61646e+00 3.58624e+00  0.00000e+00 0.00000e+00 9.81288e+01 135.240 1.83860e+01 135.240 0.8955 
1 1 1 15 11 30 o 17 4.69830e+01 1.08700e+01 9.06967e+01 182.676 -4.06760e+00 -1.90118e-01 0.00000e+00 0.00000e+00 1.20090e+01 182.676 7.86877e+01 2.676   0.8662 
1 1 1 15 11 31 o 9  1.47340e+02 5.04100e+00 2.25699e+02 351.389 3.65030e+01  -5.52741e+00 0.00000e+00 0.00000e+00 1.40091e+02 351.389 8.56080e+01 171.389 0.9864 
1 1 1 15 11 32 o 13 7.20315e+01 9.40207e+00 9.22476e+01 93.961  -4.46064e-01 6.44187e+00  0.00000e+00 0.00000e+00 7.39014e+01 93.961  1.83462e+01 273.961 0.9189 
1 1 1 15 11 33 o 8  1.07854e+02 6.16804e+00 8.77124e+01 36.376  9.24790e+00  6.81226e+00  0.00000e+00 0.00000e+00 1.70221e+02 36.376  8.25090e+01 36.376  0.9554 
1 1 1 15 11 34 o 2  7.00703e+01 9.89054e+00 6.57797e+01 258.210 -1.10706e+00 -5.30387e+00 0.00000e+00 0.00000e+00 9.20123e+01 258.210 2.62326e+01 258.210 0.9023 
1 1 1 15 11 36 o 13 1.56195e+02 4.79879e+00 1.52826e+02 342.648 3.38866e+01  -1.05886e+01 0.00000e+00 0.00000e+00 2.29173e+02 342.648 7.63474e+01 342.648 0.9858 
1 1 1 15 11 37 o 15 1.07504e+02 5.99088e+00 1.08966e+02 297.077 7.85967e+00  -1.53741e+01 0.00000e+00 0.00000e+00 1.49079e+02 297.077 4.01121e+01 297.077 0.9706 
1 1 1 15 11 38 o 17 3.22799e+01 9.15334e+00 3.36314e+01 202.302 -1.29324e+00 -5.30452e-01 0.00000e+00 0.00000e+00 1.17112e+01 202.302 2.19203e+01 22.302  0.5698 
1 1 1 15 11 39 o 5  7.69316e+01 8.73061e+00 1.08037e+02 105.575 -3.05327e+00 1.09539e+01  0.00000e+00 0.00000e+00 7.24623e+01 105.575 3.55750e+01 285.575 0.9550 
1 1 1 15 11 40 o 10 4.21253e+01 1.11519e+01 3.58336e+01 136.305 -1.41758e+00 1.35443e+00  0.00000e+00 0.00000e+00 3.54599e+01 136.305 3.73662e-01 316.305 0.6912 
1 1 1 15 11 41 o 4  5.23906e+01 1.13428e+01 9.23647e+01 337.188 6.34147e+00  -2.66728e+00 0.00000e+00 0.00000e+00 2.57730e+01 337.188 6.65917e+01 157.188 0.9242 
1 1 1 15 11 42 o 9  6.72960e+01 9.79763e+00 1.18820e+02 65.874  4.84901e+00  1.08270e+01  0.00000e+00 0.00000e+00 3.77384e+01 65.874  8.10820e+01 245.874 0.9569 
1 1 1 15 11 43 o 17 2.94189e+01 9.61181e+00 3.12369e+01 222.664 -1.13693e+00 -1.04782e+00 0.00000e+00 0.00000e+00 1.20436e+01 222.664 1.91933e+01 42.664  0.6073 
1 1 1 15 11 44 o 5  4.37693e+01 1.13268e+01 7.59174e+01 307.726 3.13197e+00  -4.04853e+00 0.00000e+00 0.00000e+00 1.87318e+01 307.726 5.71856e+01 127.726 0.8961 
1 1 1 15 11 45 o 15 7.60867e+01 1.06196e+01 8.96192e+01 163.509 -1.12431e+01 3.32845e+00  0.00000e+00 0.00000e+00 8.53136e+01 163.509 4.30566e+00 343.509 0.9564 
1 1 1 15 11 46 o 14 3.23821e+01 1.00628e+01 3.63969e+01 107.102 -6.50583e-01 2.11453e+00  0.00000e+00 0.00000e+00 2.01892e+01 107.102 1.62076e+01 287.102 0.7297 
1 1 1 15 11 47 o 17 4.45790e+01 1.13644e+01 4.04357e+01 191.665 -3.22347e+00 -6.65467e-01 0.00000e+00 0.00000e+00 4.77501e+01 191.665 7.31440e+00 191.665 0.8294 
1 1 1 15 11 48 o 4  4.69057e+01 1.19824e+01 3.04375e+01 45.643  1.86663e+00  1.90902e+00  0.00000e+00 0.00000e+00 5.67202e+01 45.643  2.62827e+01 45.643  0.7823 
1 1 1 15 11 49 o 17 5.22345e+01 1.20755e+01 1.31545e+01 275.372 1.27710e-01  -1.35814e+00 0.00000e+00 0.00000e+00 5.61231e+01 275.372 4.29685e+01 275.372 0.5607 
1 1 1 15 11 50 o 17 3.07246e+01 1.00135e+01 1.86843e+01 238.474 -6.76284e-01 -1.10246e+00 0.00000e+00 0.00000e+00 2.04470e+01 238.474 1.76265e+00 238.474 0.5407 
1 1 1 15 11 51 o 16 3.42535e+01 1.03121e+01 6.77038e+01 65.541  2.33365e+00  5.13048e+00  0.00000e+00 0.00000e+00 5.09641e+00 65.541  6.26074e+01 245.541 0.9063 
1 1 1 15 12 0  o 17 4.82910e+02 6.11813e+00 5.77976e+02 180.000 -7.49706e+01 0.00000e+00  0.00000e+00 0.00000e+00 6.93081e+02 180.000 1.15105e+02 180.000 1.0000 
1 1 1 15 12 1  o 13 2.22507e+02 4.26385e+00 2.51384e+02 331.567 2.64249e+01  -1.43076e+01 0.00000e+00 0.00000e+00 3.24417e+02 331.567 7.30335e+01 331.567 0.9832 
1 1 1 15 12 2  o 11 5.18887e+01 1.19623e+01 1.46573e+01 325.324 3.08455e-01  -2.13395e-01 0.00000e+00 0.00000e+00 1.05113e+01 325.324 4.14604e+00 145.324 0.1843 
1 1 1 15 12 3  o 16 3.11954e+02 4.01871e+00 3.34557e+02 335.444 5.09287e+01  -2.32697e+01 0.00000e+00 0.00000e+00 4.78849e+02 335.444 1.44292e+02 335.444 0.9910 
1 1 1 15 12 4  o 3  2.60568e+02 4.39527e+00 3.12602e+02 13.014  4.23802e+01  9.79532e+00  0.00000e+00 0.00000e+00 3.64837e+02 13.014  5.22343e+01 13.014  0.9884 
1 1 1 15 12 5  o 11 1.64346e+02 6.11881e+00 2.58246e+02 213.496 -1.86057e+01 -1.23128e+01 0.00000e+00 0.00000e+00 1.64062e+02 213.496 9.41842e+01 33.496  0.9773 
1 1 1 15 12 6  f 0  1.54319e+02 6.25396e+00 2.48854e+02 159.212 -1.87815e+01 7.12986e+00  0.00000e+00 0.00000e+00 1.46470e+02 159.212 1.02384e+02 339.212 0.9748 
1 1 1 15 12 7  o 14 8.20659e+01 1.15939e+01 7.58331e+01 23.742  2.78533e+00  1.22510e+00  0.00000e+00 0.00000e+00 9.94297e+01 23.742  2.35967e+01 23.742  0.8131 
1 1 1 15 12 8  o 5  1.78622e+02 6.89552e+00 1.70707e+02 97.747  -2.45324e+00 1.80330e+01  0.00000e+00 0.00000e+00 2.85075e+02 97.747  1.14368e+02 97.747  0.9721 
1 1 1 15 12 9  o 17 2.03190e+02 5.00540e+00 2.25360e+02 357.766 2.76414e+01  -1.07843e+00 0.00000e+00 0.00000e+00 2.97862e+02 357.766 7.25023e+01 357.766 0.9818 
1 1 1 15 12 10 o 3  1.99143e+02 4.55078e+00 1.90255e+02 343.361 2.18659e+01  -6.53481e+00 0.00000e+00 0.00000e+00 3.20084e+02 343.361 1.29828e+02 343.361 0.9778 
1 1 1 15 12 11 o 10 6.94165e+01 1.03743e+01 6.01758e+01 162.804 -2.23472e+00 6.91603e-01  0.00000e+00 0.00000e+00 7.54751e+01 162.804 1.52992e+01 162.804 0.7463 
1 1 1 15 12 12 o 1  1.42293e+02 5.49183e+00 1.56829e+02 68.839  4.45430e+00  1.15071e+01  0.00000e+00 0.00000e+00 1.99962e+02 68.839  4.31323e+01 68.839  0.9586 
1 1 1 15 12 13 o 1  3.48907e+02 3.87841e+00 4.12250e+02 102.835 -1.77097e+01 7.77272e+01  0.00000e+00 0.00000e+00 4.93692e+02 102.835 8.14418e+01 102.835 0.9937 
1 1 1 15 12 14 o 14 7.54602e+01 9.06703e+00 1.30744e+02 355.961 6.90347e+00  -4.87463e-01 0.00000e+00 0.00000e+00 5.13587e+01 355.961 7.93849e+01 175.961 0.9246 
1 1 1 15 12 15 o 1  3.04385e+02 3.83796e+00 3.28622e+02 144.795 -6.05448e+01 4.27169e+01  0.00000e+00 0.00000e+00 4.59432e+02 144.795 1.30810e+02 144.795 0.9932 
1 1 1 15 12 16 o 4  1.45384e+02 4.96932e+00 1.77999e+02 333.492 1.68265e+01  -8.39231e+00 0.00000e+00 0.00000e+00 1.90255e+02 333.492 1.22558e+01 333.492 0.9730 
1 1 1 15 12 17 o 2  5.26115e+01 1.14327e+01 6.60014e+01 227.331 -1.61212e+00 -1.74895e+00 0.00000e+00 0.00000e+00 3.67235e+01 227.331 2.92779e+01 47.331  0.7511 
1 1 1 15 12 18 o 5  2.09063e+02 4.46887e+00 1.91295e+02 92.550  -1.33709e+00 3.00273e+01  0.00000e+00 0.00000e+00 3.42233e+02 92.550  1.50938e+02 92.550  0.9832 
1 1 1 15 12 19 o 12 1.58039e+02 5.07260e+00 1.81312e+02 180.862 -2.16319e+01 -3.25648e-01 0.00000e+00 0.00000e+00 2.18652e+02 180.862 3.73409e+01 180.862 0.9766 
1 1 1 15 12 20 o 17 2.24274e+02 4.56688e+00 2.01253e+02 62.792  1.58808e+01  3.08896e+01  0.00000e+00 0.00000e+00 3.70542e+02 62.792  1.69289e+02 62.792  0.9855 
1 1 1 15 12 21 o 13 7.04260e+01 9.81334e+00 4.12052e+01 63.784  9.07216e-01  1.84238e+00  0.00000e+00 0.00000e+00 8.72683e+01 63.784  4.60630e+01 63.784  0.7064 
1 1 1 15 12 22 o 11 2.89146e+02 3.89185e+00 3.31756e+02 223.378 -5.82154e+01 -5.50086e+01 0.00000e+00 0.00000e+00 4.08905e+02 223.378 7.71491e+01 223.378 0.9937 
1 1 1 15 12 23 f 0  1.67027e+02 4.79453e+00 2.12485e+02 235.755 -1.59076e+01 -2.33681e+01 0.00000e+00 0.00000e+00 2.09554e+02 235.755 2.93097e+00 55.755  0.9822 
1 1 1 15 12 24 o 19 1.08022e+02 6.31784e+00 1.39189e+02 115.421 -4.98419e+00 1.04869e+01  0.00000e+00 0.00000e+00 1.25928e+02 115.421 1.32607e+01 295.421 0.9559 
1 1 1 15 12 25 o 4  7.86098e+01 8.70323e+00 1.22997e+02 215.315 -7.32886e+00 -5.19204e+00 0.00000e+00 0.00000e+00 6.68397e+01 215.315 5.61571e+01 35.315  0.9426 
1 1 1 15 12 26 o 1  1.52933e+02 5.06061e+00 1.11225e+02 129.125 -9.41554e+00 1.15753e+01  0.00000e+00 0.00000e+00 2.66402e+02 129.125 1.55177e+02 129.125 0.9659 
1 1 1 15 12 27 o 19 1.22835e+02 6.05884e+00 1.56379e+02 3.985   1.63569e+01  1.13942e+00  0.00000e+00 0.00000e+00 1.47215e+02 3.985   9.16422e+00 183.985 0.9690 
1 1 1 15 12 28 o 8  1.46301e+02 5.11549e+00 1.87779e+02 281.739 6.00449e+00  -2.88955e+01 0.00000e+00 0.00000e+00 1.78130e+02 281.739 9.64867e+00 101.739 0.9829 
1 1 1 15 12 29 o 1  2.51484e+01 8.48295e+00 2.58075e+01 128.486 -4.20983e-01 5.29519e-01  0.00000e+00 0.00000e+00 5.36411e+00 308.486 3.11716e+01 308.486 0.3203 
1 1 1 15 12 30 o 17 1.18214e+02 6.18933e+00 1.74031e+02 37.430  1.69331e+01  1.29603e+01  0.00000e+00 0.00000e+00 1.18164e+02 37.430  5.58672e+01 217.430 0.9763 
1 1 1 15 12 31 o 14 9.46544e+01 7.17126e+00 1.66328e+02 68.421  6.90730e+00  1.74643e+01  0.00000e+00 0.00000e+00 6.62399e+01 68.421  1.00088e+02 248.421 0.9730 
1 1 1 15 12 32 o 3  7.50204e+01 9.05487e+00 4.37461e+01 299.592 1.95597e+00  -3.44424e+00 0.00000e+00 0.00000e+00 1.19109e+02 299.592 7.53631e+01 299.592 0.8620 
1 1 1 15 12 34 o 6  5.45863e+01 9.61984e+00 5.69833e+01 342.525 3.92796e+00  -1.23658e+00 0.00000e+00 0.00000e+00 6.16486e+01 342.525 4.66531e+00 342.525 0.8679 
1 1 1 15 12 35 o 14 3.29946e+01 9.88849e+00 3.16547e+01 315.811 9.96983e-01  -9.69152e-01 0.00000e+00 0.00000e+00 1.51216e+01 315.811 1.65330e+01 135.811 0.5679 
1 1 1 15 12 36 o 16 1.52441e+02 4.94872e+00 1.74617e+02 266.087 -2.60241e+00 -3.80511e+01 0.00000e+00 0.00000e+00 1.99796e+02 266.087 2.51793e+01 266.087 0.9868 
1 1 1 15 12 37 f 0  8.97312e+01 7.33173e+00 1.13099e+02 74.978  3.77014e+00  1.40492e+01  0.00000e+00 0.00000e+00 1.01743e+02 74.978  1.13563e+01 254.978 0.9650 
1 1 1 15 12 38 o 19 1.33281e+02 5.57014e+00 8.89753e+01 266.257 -1.19238e+00 -1.82247e+01 0.00000e+00 0.00000e+00 2.31490e+02 266.257 1.42515e+02 266.257 0.9722 
1 1 1 15 12 39 o 6  3.94234e+01 1.06969e+01 8.73212e+01 207.764 -4.47309e+00 -2.35478e+00 0.00000e+00 0.00000e+00 3.83501e-01 27.764  8.77047e+01 27.764  0.8946 
1 1 1 15 12 40 o 5  1.82261e+02 5.13197e+00 2.29794e+02 206.319 -6.53784e+01 -3.23395e+01 0.00000e+00 0.00000e+00 2.14859e+02 206.319 1.49342e+01 26.319  0.9931 
1 1 1 15 12 41 o 3  6.95553e+01 9.96999e+00 6.20377e+01 356.003 7.20400e+00  -5.03362e-01 0.00000e+00 0.00000e+00 9.59599e+01 356.003 3.39222e+01 356.003 0.9279 
1 1 1 15 12 42 o 7  4.26935e+01 1.13947e+01 6.20809e+01 159.658 -3.84998e+00 1.42736e+00  0.00000e+00 0.00000e+00 2.82576e+01 159.658 3.38233e+01 339.658 0.8675 
1 1 1 15 12 43 o 3  4.61069e+01 1.16231e+01 3.49311e+01 18.167  2.33696e+00  7.66845e-01  0.00000e+00 0.00000e+00 5.02884e+01 18.167  1.53572e+01 18.167  0.7605 
1 1 1 15 12 44 o 5  6.19044e+01 1.16348e+01 8.84969e+01 56.897  4.88906e+00  7.49904e+00  0.00000e+00 0.00000e+00 5.27482e+01 56.897  3.57488e+01 236.897 0.9424 
1 1 1 15 12 45 o 14 6.98835e+01 1.07698e+01 3.67096e+01 181.360 -4.86836e+00 -1.15581e-01 0.00000e+00 0.00000e+00 1.13348e+02 181.360 7.66388e+01 181.360 0.8903 
1 1 1 15 12 46 o 12 3.71692e+01 1.13074e+01 3.22093e+01 127.590 -1.42377e+00 1.84946e+00  0.00000e+00 0.00000e+00 3.43775e+01 127.590 2.16820e+00 127.590 0.7457 
1 1 1 15 12 47 o 13 3.41864e+01 1.09050e+01 4.53911e+01 148.683 -2.61206e+00 1.58920e+00  0.00000e+00 0.00000e+00 2.12085e+01 148.683 2.41826e+01 328.683 0.8141 
1 1 1 15 12 48 o 7  1.13045e+02 8.04620e+00 1.45262e+02 171.944 -4.15466e+01 5.88009e+00  0.00000e+00 0.00000e+00 1.20902e+02 171.944 2.43599e+01 351.944 0.9880 
1 1 1 15 12 49 o 5  5.27684e+01 1.19135e+01 3.53804e+01 144.817 -3.08451e+00 2.17447e+00  0.00000e+00 0.00000e+00 7.15906e+01 144.817 3.62102e+01 144.817 0.8542 
1 1 1 15 13 0  o 2  2.91931e+02 6.71920e+00 3.43983e+02 0.000   2.80042e+01  0.00000e+00  0.00000e+00 0.00000e+00 4.27138e+02 0.000   8.31549e+01 0.000   1.0000 
1 1 1 15 13 1  o 19 4.91425e+01 1.26880e+01 1.33196e+02 184.279 -3.30274e+00 -2.47101e-01 0.00000e+00 0.00000e+00 2.53771e+01 4.279   1.58573e+02 4.279   0.8306 
1 1 1 15 13 2  o 6  8.83337e+01 1.00106e+01 1.23412e+02 38.093  4.52051e+00  3.54368e+00  0.00000e+00 0.00000e+00 8.84574e+01 38.093  3.49549e+01 218.093 0.9082 
1 1 1 15 13 3  o 16 1.09667e+02 7.94115e+00 1.64240e+02 147.307 -8.18510e+00 5.25334e+00  0.00000e+00 0.00000e+00 1.10010e+02 147.307 5.42297e+01 327.307 0.9471 
1 1 1 15 13 4  o 9  4.33022e+01 1.15293e+01 9.71068e+01 150.558 -1.87941e+00 1.06080e+00  0.00000e+00 0.00000e+00 1.45690e+01 330.558 1.11676e+02 330.558 0.7221 
1 1 1 15 13 5  o 6  1.63136e+02 4.95024e+00 1.41311e+02 217.316 -1.01244e+01 -7.71718e+00 0.00000e+00 0.00000e+00 2.71871e+02 217.316 1.30560e+02 217.316 0.9599 
1 1 1 15 13 6  o 1  1.13687e+02 6.76675e+00 1.73711e+02 145.523 -1.19116e+01 8.17969e+00  0.00000e+00 0.00000e+00 1.15553e+02 145.523 5.81580e+01 325.523 0.9648 
1 1 1 15 13 7  o 2  7.99920e+01 9.52085e+00 1.80461e+02 3.348   1.00681e+01  5.89055e-01  0.00000e+00 0.00000e+00 1.96445e+01 3.348   1.60817e+02 183.348 0.9490 
1 1 1 15 13 8  o 6  3.74989e+01 1.03174e+01 3.12701e+01 106.648 -2.30346e-01 7.70298e-01  0.00000e+00 0.00000e+00 5.54144e+00 106.648 2.57287e+01 286.648 0.3727 
1 1 1 15 13 9  o 19 9.22634e+01 7.36111e+00 1.11343e+02 38.852  5.72751e+00  4.61353e+00  0.00000e+00 0.00000e+00 1.14343e+02 38.852  2.99984e+00 38.852  0.9293 
1 1 1 15 13 10 o 10 3.08853e+01 9.69622e+00 5.07556e+01 306.928 6.77608e-01  -9.01569e-01 0.00000e+00 0.00000e+00 1.09647e+01 126.928 6.17203e+01 126.928 0.4899 
1 1 1 15 13 11 o 13 3.26784e+01 1.02221e+01 4.60157e+01 128.889 -6.68473e-01 8.28779e-01  0.00000e+00 0.00000e+00 5.75434e+00 308.889 5.17701e+01 308.889 0.4689 
1 1 1 15 13 12 o 9  1.40316e+02 5.50951e+00 1.77458e+02 167.049 -1.83238e+01 4.21377e+00  0.00000e+00 0.00000e+00 1.80952e+02 167.049 3.49442e+00 167.049 0.9730 
1 1 1 15 13 13 o 8  2.23597e+02 4.64858e+00 2.72720e+02 65.837  1.92761e+01  4.29656e+01  0.00000e+00 0.00000e+00 3.07352e+02 65.837  3.46313e+01 65.837  0.9893 
1 1 1 15 13 14 o 12 1.46106e+02 5.98174e+00 1.42521e+02 205.396 -1.42053e+01 -6.74390e+00 0.00000e+00 0.00000e+00 2.27785e+02 205.396 8.52639e+01 205.396 0.9677 
1 1 1 15 13 15 o 7  1.05768e+02 7.47422e+00 1.36338e+02 140.992 -8.22674e+00 6.66380e+00  0.00000e+00 0.00000e+00 1.26934e+02 140.992 9.40369e+00 320.992 0.9515 
1 1 1 15 13 16 o 11 1.36850e+02 5.54878e+00 1.16174e+02 76.013  2.93931e+00  1.18001e+01  0.00000e+00 0.00000e+00 2.26309e+02 76.013  1.10135e+02 76.013  0.9580 
1 1 1 15 13 17 o 15 3.19510e+01 1.00228e+01 5.74851e+01 63.160  5.87671e-01  1.16140e+00  0.00000e+00 0.00000e+00 1.22143e+01 243.160 6.96994e+01 243.160 0.5431 
1 1 1 15 13 18 f 0  9.23846e+01 7.47731e+00 1.31842e+02 35.524  7.99311e+00  5.70659e+00  0.00000e+00 0.00000e+00 9.61987e+01 35.524  3.56436e+01 215.524 0.9476 
1 1 1 15 13 19 o 6  1.07740e+02 6.00155e+00 1.21268e+02 26.753  9.50362e+00  4.79079e+00  0.00000e+00 0.00000e+00 1.45418e+02 26.753  2.41499e+01 26.753  0.9518 
1 1 1 15 13 20 o 2  9.34660e+01 6.77045e+00 1.05631e+02 310.899 5.02726e+00  -5.80392e+00 0.00000e+00 0.00000e+00 1.20629e+02 310.899 1.49984e+01 310.899 0.9324 
1 1 1 15 13 21 o 8  1.55829e+02 4.59783e+00 2.03608e+02 253.117 -9.29694e+00 -3.06327e+01 0.00000e+00 0.00000e+00 1.93891e+02 253.117 9.71716e+00 73.117  0.9843 
1 1 1 15 13 22 o 18 1.28899e+02 5.61348e+00 1.80051e+02 309.850 1.46300e+01  -1.75285e+01 0.00000e+00 0.00000e+00 1.46008e+02 309.850 3.40433e+01 129.850 0.9778 
1 1 1 15 13 23 o 8  2.17444e+02 4.23449e+00 2.82975e+02 88.865  1.08388e+00  5.47110e+01  0.00000e+00 0.00000e+00 2.73281e+02 88.865  9.69347e+00 268.865 0.9908 
1 1 1 15 13 24 o 10 3.65874e+01 1.05125e+01 9.77551e+01 265.189 -2.94196e-01 -3.49526e+00 0.00000e+00 0.00000e+00 1.84252e+01 85.189  1.16180e+02 85.189  0.8415 
1 1 1 15 13 25 f 0  5.92710e+01 1.06433e+01 1.70880e+01 145.061 -8.02102e-01 5.60360e-01  0.00000e+00 0.00000e+00 4.97689e+01 145.061 3.26810e+01 145.061 0.4387 
1 1 1 15 13 26 o 4  1.02189e+02 6.47464e+00 1.00588e+02 145.273 -9.25705e+00 6.41635e+00  0.00000e+00 0.00000e+00 1.49657e+02 145.273 4.90696e+01 145.273 0.9545 
1 1 1 15 13 27 o 9  1.51477e+02 5.68488e+00 2.02704e+02 290.041 1.11193e+01  -3.04814e+01 0.00000e+00 0.00000e+00 1.79004e+02 290.041 2.37004e+01 110.041 0.9845 
1 1 1 15 13 28 o 4  1.32386e+02 6.10563e+00 1.38192e+02 148.703 -1.92940e+01 1.17296e+01  0.00000e+00 0.00000e+00 1.92297e+02 148.703 5.41054e+01 148.703 0.9776 
1 1 1 15 13 29 o 3  3.49125e+01 1.03994e+01 6.47011e+01 325.650 2.18926e+00  -1.49620e+00 0.00000e+00 0.00000e+00 4.71515e+00 325.650 5.99860e+01 145.650 0.7805 
1 1 1 15 13 31 o 4  3.91327e+01 1.10666e+01 1.03861e+02 209.509 -3.25028e+00 -1.83960e+00 0.00000e+00 0.00000e+00 1.93202e+01 29.509  1.23181e+02 29.509  0.8525 
1 1 1 15 13 32 o 5  8.97729e+01 7.77499e+00 9.66966e+01 223.500 -8.81174e+00 -8.36218e+00 0.00000e+00 0.00000e+00 1.20639e+02 223.500 2.39419e+01 223.500 0.9579 
1 1 1 15 13 33 o 3  8.22479e+01 8.97787e+00 9.66673e+01 184.477 -1.08781e+01 -8.51773e-01 0.00000e+00 0.00000e+00 1.00877e+02 184.477 4.20969e+00 184.477 0.9530 
1 1 1 15 13 34 o 11 3.42572e+01 9.84083e+00 3.06628e+01 266.366 -8.46677e-02 -1.33324e+00 0.00000e+00 0.00000e+00 1.69328e+01 266.366 1.37301e+01 86.366  0.5529 
1 1 1 15 13 35 o 8  5.23210e+01 1.13353e+01 5.23485e+01 326.822 2.90702e+00  -1.90074e+00 0.00000e+00 0.00000e+00 5.77270e+01 326.822 5.37855e+00 326.822 0.8397 
1 1 1 15 13 36 o 10 1.38021e+02 5.33076e+00 1.75688e+02 291.637 1.39153e+01  -3.50789e+01 0.00000e+00 0.00000e+00 1.64465e+02 291.637 1.12228e+01 111.637 0.9867 
1 1 1 15 13 37 o 3  3.70941e+01 1.08570e+01 1.36453e+01 250.657 -2.45577e-01 -6.99572e-01 0.00000e+00 0.00000e+00 1.84390e+01 250.657 4.79371e+00 250.657 0.3474 
1 1 1 15 13 38 o 4  6.18024e+01 1.08462e+01 9.61482e+01 341.275 8.13792e+00  -2.75853e+00 0.00000e+00 0.00000e+00 4.80182e+01 341.275 4.81300e+01 161.275 0.9399 
1 1 1 15 13 39 o 1  1.08998e+02 6.98196e+00 1.42496e+02 185.527 -2.90784e+01 -2.81402e+00 0.00000e+00 0.00000e+00 1.22476e+02 185.527 2.00204e+01 5.528   0.9827 
1 1 1 15 13 40 o 9  4.13871e+01 1.15930e+01 2.67941e+01 52.097  1.05172e+00  1.35087e+00  0.00000e+00 0.00000e+00 3.89490e+01 52.097  1.21549e+01 52.097  0.6443 
1 1 1 15 13 41 o 13 6.08748e+01 1.14515e+01 3.84064e+01 226.127 -2.50766e+00 -2.60835e+00 0.00000e+00 0.00000e+00 8.82704e+01 226.127 4.98639e+01 226.127 0.8471 
1 1 1 15 13 42 o 16 5.42673e+01 1.31103e+01 3.41331e+01 274.981 2.46288e-01  -2.82602e+00 0.00000e+00 0.00000e+00 7.17615e+01 274.981 3.76283e+01 274.981 0.7972 
1 1 1 15 13 43 o 4  5.98779e+01 1.22896e+01 5.98055e+01 288.055 1.96079e+00  -6.01512e+00 0.00000e+00 0.00000e+00 7.41349e+01 288.055 1.43294e+01 288.055 0.9172 
1 1 1 15 13 44 o 9  7.45439e+01 9.65665e+00 8.12642e+01 157.147 -1.19380e+01 5.03127e+00  0.00000e+00 0.00000e+00 9.27261e+01 157.147 1.14619e+01 157.147 0.9606 
1 1 1 15 13 45 o 12 4.24679e+01 1.14385e+01 6.74268e+01 40.752  4.18626e+00  3.60732e+00  0.00000e+00 0.00000e+00 2.55300e+01 40.752  4.18968e+01 220.752 0.9043 
1 1 1 15 13 46 o 10 1.15363e+02 6.77998e+00 1.25391e+02 133.740 -2.74218e+01 2.86549e+01  0.00000e+00 0.00000e+00 1.49223e+02 133.740 2.38318e+01 133.740 0.9873 
1 1 1 15 13 47 o 15 6.97975e+01 1.09254e+01 6.02326e+01 95.300  -8.36532e-01 9.01684e+00  0.00000e+00 0.00000e+00 9.78322e+01 95.300  3.75996e+01 95.300  0.9431 
1 1 1 15 13 48 o 10 4.05510e+01 1.38903e+01 4.26496e+01 5.264   3.35812e+00  3.09382e-01  0.00000e+00 0.00000e+00 3.82457e+01 5.264   4.40398e+00 185.264 0.8341 
1 1 1 15 14 0  o 3  9.52717e+01 1.05142e+01 1.47120e+02 0.000   5.27369e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.05490e+02 0.000   4.16308e+01 180.000 0.9999 
1 1 1 15 14 1  o 15 1.46201e+02 5.20274e+00 1.01984e+02 192.735 -1.12574e+01 -2.54419e+00 0.00000e+00 0.00000e+00 2.68474e+02 192.735 1.66490e+02 192.735 0.9556 
1 1 1 15 14 2  o 8  1.11010e+02 6.30569e+00 6.81187e+01 49.795  3.72651e+00  4.40897e+00  0.00000e+00 0.00000e+00 1.99310e+02 49.795  1.31191e+02 49.795  0.9087 
1 1 1 15 14 3  o 7  2.56291e+02 4.23486e+00 3.48114e+02 195.755 -6.69300e+01 -1.88824e+01 0.00000e+00 0.00000e+00 3.26305e+02 195.755 2.18090e+01 15.755  0.9928 
1 1 1 15 14 4  o 11 3.28265e+01 1.03385e+01 1.08064e+02 54.986  1.45019e+00  2.06999e+00  0.00000e+00 0.00000e+00 4.12659e+01 234.986 1.49330e+02 234.986 0.7679 
1 1 1 15 14 5  o 18 1.12741e+02 6.74517e+00 1.18617e+02 208.843 -8.83580e+00 -4.86608e+00 0.00000e+00 0.00000e+00 1.64794e+02 208.843 4.61774e+01 208.843 0.9491 
1 1 1 15 14 6  o 10 5.32254e+01 1.02353e+01 7.86378e+01 134.137 -2.06931e+00 2.13261e+00  0.00000e+00 0.00000e+00 3.52008e+01 134.137 4.34370e+01 314.137 0.8079 
1 1 1 15 14 7  o 19 2.32288e+02 4.41955e+00 2.37359e+02 50.600  2.69026e+01  3.27513e+01  0.00000e+00 0.00000e+00 3.69983e+02 50.600  1.32624e+02 50.600  0.9881 
1 1 1 15 14 8  o 15 1.81282e+02 4.86995e+00 1.37684e+02 23.094  1.79569e+01  7.65710e+00  0.00000e+00 0.00000e+00 3.29235e+02 23.094  1.91551e+02 23.094  0.9740 
1 1 1 15 14 9  f 0  2.54925e+02 4.13150e+00 1.51341e+02 348.232 2.95924e+01  -6.16497e+00 0.00000e+00 0.00000e+00 5.11026e+02 348.232 3.59686e+02 348.232 0.9833 
1 1 1 15 14 10 o 16 7.44712e+01 8.62680e+00 8.49878e+01 285.495 1.24385e+00  -4.48670e+00 0.00000e+00 0.00000e+00 8.89686e+01 285.495 3.98080e+00 285.495 0.8847 
1 1 1 15 14 11 o 13 9.80398e+01 6.66757e+00 1.09948e+02 266.254 -5.85095e-01 -8.93576e+00 0.00000e+00 0.00000e+00 1.33764e+02 266.254 2.38161e+01 266.254 0.9424 
1 1 1 15 14 12 o 15 4.58096e+01 1.10513e+01 3.62057e+01 230.225 -8.07417e-01 -9.69938e-01 0.00000e+00 0.00000e+00 2.79641e+01 230.225 8.24156e+00 50.225  0.5316 
1 1 1 15 14 13 o 11 5.89379e+01 9.67407e+00 3.34849e+01 341.720 1.45785e+00  -4.81576e-01 0.00000e+00 0.00000e+00 6.03385e+01 341.720 2.68535e+01 341.720 0.6047 
1 1 1 15 14 14 o 1  1.46352e+02 4.91980e+00 1.74560e+02 252.481 -6.22974e+00 -1.97356e+01 0.00000e+00 0.00000e+00 2.00827e+02 252.481 2.62673e+01 252.481 0.9755 
1 1 1 15 14 15 o 19 2.98129e+02 3.84329e+00 3.47654e+02 21.699  7.81200e+01  3.10857e+01  0.00000e+00 0.00000e+00 4.30562e+02 21.699  8.29077e+01 21.699  0.9940 
1 1 1 15 14 16 o 17 8.20371e+01 7.77451e+00 1.12999e+02 287.613 2.72323e+00  -8.57816e+00 0.00000e+00 0.00000e+00 8.98122e+01 287.613 2.31872e+01 107.613 0.9427 
1 1 1 15 14 17 o 12 2.12853e+02 4.12628e+00 2.32334e+02 27.387  4.47083e+01  2.31621e+01  0.00000e+00 0.00000e+00 3.19513e+02 27.387  8.71796e+01 27.387  0.9900 
1 1 1 15 14 18 o 11 1.16883e+02 6.67192e+00 1.34856e+02 115.399 -5.93994e+00 1.25098e+01  0.00000e+00 0.00000e+00 1.59520e+02 115.399 2.46643e+01 115.399 0.9632 
1 1 1 15 14 19 o 3  2.27573e+02 4.49095e+00 2.62486e+02 316.369 3.86648e+01  -3.68604e+01 0.00000e+00 0.00000e+00 3.26038e+02 316.369 6.35520e+01 316.369 0.9906 
1 1 1 15 14 20 o 1  1.20019e+02 6.89212e+00 6.91126e+01 197.971 -8.48739e+00 -2.75294e+00 0.00000e+00 0.00000e+00 2.25599e+02 197.971 1.56486e+02 197.971 0.9422 
1 1 1 15 14 21 o 11 1.41673e+02 6.05978e+00 1.31912e+02 325.427 1.66253e+01  -1.14574e+01 0.00000e+00 0.00000e+00 2.27424e+02 325.427 9.55125e+01 325.427 0.9749 
1 1 1 15 14 22 o 8  7.18728e+01 1.07923e+01 9.89485e+01 8.449   7.05689e+00  1.04826e+00  0.00000e+00 0.00000e+00 7.40682e+01 8.449   2.48803e+01 188.449 0.9270 
1 1 1 15 14 23 o 4  8.13197e+01 9.55657e+00 1.13073e+02 171.349 -9.02397e+00 1.37297e+00  0.00000e+00 0.00000e+00 8.57862e+01 171.349 2.72868e+01 351.349 0.9435 
1 1 1 15 14 24 o 18 1.38454e+02 5.70915e+00 1.72657e+02 272.355 1.04146e+00  -2.53252e+01 0.00000e+00 0.00000e+00 1.78322e+02 272.355 5.66419e+00 272.355 0.9801 
1 1 1 15 14 25 o 2  8.10606e+01 8.68331e+00 1.25779e+02 151.604 -1.04889e+01 5.67048e+00  0.00000e+00 0.00000e+00 7.44695e+01 151.604 5.13091e+01 331.604 0.9571 
1 1 1 15 14 26 f 0  4.08990e+01 1.08578e+01 3.76929e+01 271.989 6.21932e-02  -1.79101e+00 0.00000e+00 0.00000e+00 3.18786e+01 271.989 5.81431e+00 91.989  0.6605 
1 1 1 15 14 28 o 4  1.06798e+02 7.60109e+00 1.10954e+02 156.571 -1.09089e+01 4.72734e+00  0.00000e+00 0.00000e+00 1.51037e+02 156.571 4.00827e+01 156.571 0.9570 
1 1 1 15 14 29 o 6  8.30996e+01 8.81922e+00 4.82006e+01 351.103 5.42463e+00  -8.49184e-01 0.00000e+00 0.00000e+00 1.43821e+02 351.103 9.56203e+01 351.103 0.9036 
1 1 1 15 14 30 o 1  8.81569e+01 7.81402e+00 1.55222e+02 133.738 -1.35923e+01 1.42048e+01  0.00000e+00 0.00000e+00 6.38390e+01 133.738 9.13828e+01 313.738 0.9742 
1 1 1 15 14 31 o 14 4.17839e+01 1.14928e+01 2.39082e+01 68.254  4.50186e-01  1.12865e+00  0.00000e+00 0.00000e+00 3.10934e+01 68.254  7.18516e+00 68.254  0.5174 
1 1 1 15 14 32 f 0  8.13651e+01 8.99479e+00 1.81253e+02 148.503 -1.74791e+01 1.07101e+01  0.00000e+00 0.00000e+00 2.00732e+01 148.503 1.61180e+02 328.503 0.9753 
1 1 1 15 14 33 o 15 3.10752e+01 9.84573e+00 4.39678e+01 68.118  7.08931e-01  1.76511e+00  0.00000e+00 0.00000e+00 9.57378e+00 68.118  3.43940e+01 248.118 0.6810 
1 1 1 15 14 34 o 16 5.86072e+01 1.12933e+01 1.12631e+02 312.985 6.55964e+00  -7.03802e+00 0.00000e+00 0.00000e+00 2.73043e+01 312.985 8.53272e+01 132.985 0.9465 
1 1 1 15 14 35 o 19 1.26339e+02 6.61054e+00 1.23619e+02 110.036 -9.21478e+00 2.52678e+01  0.00000e+00 0.00000e+00 1.88176e+02 110.036 6.45565e+01 110.036 0.9812 
1 1 1 15 14 36 o 12 8.32811e+01 9.63418e+00 1.14705e+02 294.512 6.00765e+00  -1.31755e+01 0.00000e+00 0.00000e+00 8.67726e+01 294.512 2.79323e+01 114.512 0.9648 
1 1 1 15 14 37 o 10 1.03888e+02 7.45367e+00 1.55734e+02 267.712 -1.19973e+00 -3.00302e+01 0.00000e+00 0.00000e+00 9.95838e+01 267.712 5.61497e+01 87.712  0.9832 
1 1 1 15 14 38 f 0  5.56589e+01 1.05545e+01 6.88268e+01 111.526 -2.27501e+00 5.76783e+00  0.00000e+00 0.00000e+00 5.81095e+01 111.526 1.07173e+01 291.526 0.9154 
1 1 1 15 14 39 o 19 4.48653e+01 1.12460e+01 5.32922e+01 225.759 -2.61209e+00 -2.68223e+00 0.00000e+00 0.00000e+00 4.17298e+01 225.759 1.15624e+01 45.759  0.8529 
1 1 1 15 14 40 o 3  4.52075e+01 1.17086e+01 6.27650e+01 355.931 4.99901e+00  -3.55619e-01 0.00000e+00 0.00000e+00 3.72151e+01 355.931 2.55499e+01 175.931 0.8937 
1 1 1 15 14 41 f 0  6.57312e+01 1.11822e+01 5.24545e+01 208.554 -5.68717e+00 -3.09484e+00 0.00000e+00 0.00000e+00 9.65427e+01 208.554 4.40882e+01 208.554 0.9192 
1 1 1 15 14 42 o 11 4.55471e+01 1.23713e+01 7.26196e+01 284.391 1.52580e+00  -5.94652e+00 0.00000e+00 0.00000e+00 2.97312e+01 284.391 4.28884e+01 104.391 0.9145 
1 1 1 15 14 43 o 19 3.67361e+01 1.10393e+01 3.18775e+01 262.867 -2.87932e-01 -2.30076e+00 0.00000e+00 0.00000e+00 3.50171e+01 262.867 3.13959e+00 262.867 0.7438 
1 1 1 15 14 44 o 14 4.18839e+01 1.16078e+01 4.25822e+01 328.442 3.23380e+00  -1.98620e+00 0.00000e+00 0.00000e+00 4.47815e+01 328.442 2.19929e+00 328.442 0.8552 
1 1 1 15 14 45 o 4  4.08469e+01 1.19402e+01 5.24621e+01 284.885 1.12327e+00  -4.22608e+00 0.00000e+00 0.00000e+00 3.45278e+01 284.885 1.79343e+01 104.885 0.8765 
1 1 1 15 14 46 o 1  3.73619e+01 1.17534e+01 3.58641e+01 105.810 -8.19488e-01 2.89412e+00  0.00000e+00 0.00000e+00 3.74329e+01 105.810 1.56885e+00 105.810 0.8106 
1 1 1 15 15 0  o 3  1.14498e+02 1.27843e+01 1.75739e+02 180.000 -4.05530e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.28935e+02 180.000 4.68038e+01 0.000   0.9994 
1 1 1 15 15 1  o 16 4.13921e+01 1.95820e+01 1.19641e+01 270.000 -1.05168e-17 -1.71753e-01 0.00000e+00 0.00000e+00 6.77983e+00 270.000 5.18426e+00 90.000  0.1701 
1 1 1 15 15 2  o 15 7.24572e+01 1.46256e+01 1.32238e+02 180.000 -3.60243e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.03639e+01 180.000 7.18744e+01 0.000   0.9985 
1 1 1 15 15 3  o 1  2.17423e+02 6.69358e+00 3.22767e+02 270.000 -1.76233e-15 -2.87810e+01 0.00000e+00 0.00000e+00 2.55912e+02 270.000 6.68548e+01 90.000  1.0000 
1 1 1 15 15 4  o 14 3.92525e+01 1.92866e+01 5.84677e+01 0.000   7.97245e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.07233e+01 0.000   4.77444e+01 180.000 0.6625 
1 1 1 15 15 5  o 17 3.17161e+02 5.48044e+00 2.82431e+02 270.000 -2.25689e-15 -3.68577e+01 0.00000e+00 0.00000e+00 5.61119e+02 270.000 2.78688e+02 270.000 1.0000 
1 1 1 15 15 6  o 5  3.11375e+02 5.43295e+00 4.84592e+02 0.000   6.18994e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.43177e+02 0.000   1.41415e+02 180.000 1.0000 
1 1 1 15 15 7  o 10 2.03521e+02 5.97121e+00 2.63783e+02 90.000  1.33884e-15  2.18649e+01  0.00000e+00 0.00000e+00 2.76959e+02 90.000  1.31761e+01 90.000  1.0000 
1 1 1 15 15 8  o 10 6.22953e+01 1.61731e+01 1.09577e+02 180.000 -3.06802e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.51165e+01 180.000 5.44607e+01 0.000   0.9957 
1 1 1 15 15 9  o 2  1.00749e+02 9.23160e+00 2.24832e+02 90.000  6.93510e-16  1.13259e+01  0.00000e+00 0.00000e+00 4.24821e+01 90.000  1.82350e+02 270.000 1.0000 
1 1 1 15 15 10 o 5  3.84839e+01 1.89557e+01 6.54383e+00 180.000 -1.06098e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.24037e+00 180.000 2.30346e+00 0.000   0.1057 
1 1 1 15 15 11 f 0  1.17989e+02 9.24082e+00 2.53844e+02 270.000 -9.07061e-16 -1.48134e+01 0.00000e+00 0.00000e+00 5.86743e+01 270.000 1.95169e+02 90.000  1.0000 
1 1 1 15 15 12 o 10 1.45220e+02 7.73400e+00 9.53762e+01 180.000 -6.23994e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.88885e+02 180.000 1.93509e+02 180.000 1.0000 
1 1 1 15 15 13 o 8  3.43445e+02 5.92986e+00 3.49255e+02 270.000 -3.33420e-15 -5.44517e+01 0.00000e+00 0.00000e+00 5.58549e+02 270.000 2.09294e+02 270.000 1.0000 
1 1 1 15 15 14 o 15 1.85697e+02 6.92785e+00 2.28613e+02 180.000 -2.39675e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.61656e+02 180.000 3.30429e+01 180.000 1.0000 
1 1 1 15 15 15 o 4  2.16907e+02 6.37035e+00 2.71339e+02 90.000  2.02981e-15  3.31493e+01  0.00000e+00 0.00000e+00 3.00612e+02 90.000  2.92726e+01 90.000  1.0000 
1 1 1 15 15 16 o 2  1.19040e+02 9.10640e+00 1.29123e+02 0.000   8.32546e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.84347e+02 0.000   5.52243e+01 0.000   1.0000 
1 1 1 15 15 17 o 7  1.74409e+01 1.23845e+01 8.33818e+01 90.000  4.76131e-17  7.77581e-01  0.00000e+00 0.00000e+00 5.35110e+01 270.000 1.36893e+02 270.000 0.6513 
1 1 1 15 15 18 o 8  4.02630e+01 1.91210e+01 8.42580e+01 0.000   1.56676e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.26307e+01 0.000   7.16274e+01 180.000 0.9165 
1 1 1 15 15 19 o 13 7.91134e+01 1.19814e+01 5.84459e+01 270.000 -1.44753e-16 -2.36399e+00 0.00000e+00 0.00000e+00 1.45307e+02 270.000 8.68615e+01 270.000 0.9825 
1 1 1 15 15 20 o 15 2.35002e+01 1.52577e+01 1.07666e+01 180.000 -1.41519e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.12079e+00 0.000   1.28874e+01 0.000   0.1406 
1 1 1 15 15 21 o 17 3.74034e+01 1.86368e+01 4.68823e+01 270.000 -5.49647e-17 -8.97642e-01 0.00000e+00 0.00000e+00 2.29964e+01 270.000 2.38859e+01 90.000  0.7151 
1 1 1 15 15 22 o 14 5.02269e+01 1.83820e+01 4.68682e+01 180.000 -1.27963e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.52920e+01 180.000 1.84238e+01 180.000 0.8564 
1 1 1 15 15 25 o 14 4.70824e+01 1.89771e+01 4.26641e+01 90.000  7.22181e-17  1.17941e+00  0.00000e+00 0.00000e+00 5.82832e+01 90.000  1.56191e+01 90.000  0.8273 
1 1 1 15 15 26 o 18 3.63258e+01 1.89743e+01 5.29521e+01 180.000 -1.14751e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.37901e+01 180.000 2.91620e+01 0.000   0.8169 
1 1 1 15 15 27 o 4  3.99236e+01 2.02803e+01 7.47998e+01 270.000 -1.04010e-16 -1.69862e+00 0.00000e+00 0.00000e+00 2.15373e+01 270.000 5.32625e+01 90.000  0.9352 
1 1 1 15 15 28 o 2  1.14813e+02 1.10209e+01 1.24684e+02 0.000   9.85087e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.70846e+02 0.000   4.61616e+01 0.000   1.0000 
1 1 1 15 15 29 o 4  4.97306e+01 2.29379e+01 5.56995e+01 90.000  8.94365e-17  1.46061e+00  0.00000e+00 0.00000e+00 5.89398e+01 90.000  3.24025e+00 90.000  0.8978 
1 1 1 15 15 30 o 15 2.33776e+02 7.42336e+00 2.53464e+02 180.000 -4.74825e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.45278e+02 180.000 9.18134e+01 180.000 1.0000 
1 1 1 15 15 31 o 18 1.02035e+02 1.15811e+01 1.32483e+02 90.000  6.85272e-16  1.11913e+01  0.00000e+00 0.00000e+00 1.28160e+02 90.000  4.32333e+00 270.000 1.0000 
1 1 1 15 15 32 o 14 3.52028e+01 1.97824e+01 2.36261e+01 0.000   5.42019e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.07217e+01 0.000   2.90447e+00 180.000 0.4945 
1 1 1 15 15 33 o 5  2.45449e+01 1.60798e+01 1.56688e+01 90.000  1.68510e-17  2.75197e-01  0.00000e+00 0.00000e+00 1.07019e+00 90.000  1.45986e+01 270.000 0.2685 
1 1 1 15 15 34 o 13 9.90158e+01 1.14782e+01 6.39510e+01 0.000   5.81870e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.86856e+02 0.000   1.22905e+02 0.000   1.0000 
1 1 1 15 15 35 o 11 3.20020e+01 1.90267e+01 2.44310e+01 90.000  3.42644e-17  5.59581e-01  0.00000e+00 0.00000e+00 1.65995e+01 90.000  7.83147e+00 270.000 0.5077 
1 1 1 15 15 36 o 5  6.85874e+01 1.89065e+01 5.13868e+01 180.000 -2.52894e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.19120e+02 180.000 6.77332e+01 180.000 0.9874 
1 1 1 15 15 37 o 7  1.80829e+02 8.37585e+00 1.27025e+02 90.000  1.48492e-15  2.42506e+01  0.00000e+00 0.00000e+00 3.26835e+02 90.000  1.99811e+02 90.000  1.0000 
1 1 1 15 15 38 o 5  2.88453e+01 1.81834e+01 2.74307e+01 180.000 -6.57532e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.41878e+01 180.000 1.32428e+01 0.000   0.5767 
1 1 1 15 15 39 o 6  4.78585e+01 2.23068e+01 2.25835e+01 270.000 -4.81993e-17 -7.87154e-01 0.00000e+00 0.00000e+00 5.57944e+01 270.000 3.32108e+01 270.000 0.6568 
1 1 1 15 15 40 f 0  7.32740e+01 1.83932e+01 7.38060e+01 180.000 -4.83969e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.08257e+02 180.000 3.44505e+01 180.000 0.9999 
1 1 1 15 15 41 o 3  6.25849e+01 2.29590e+01 8.10126e+01 270.000 -2.42244e-16 -3.95615e+00 0.00000e+00 0.00000e+00 7.38545e+01 270.000 7.15809e+00 90.000  0.9993 
1 1 1 15 15 42 o 2  4.97896e+01 2.21917e+01 2.80453e+01 180.000 -1.15036e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.24344e+01 180.000 4.43891e+01 180.000 0.8179 
1 1 1 15 15 43 o 4  1.22483e+02 9.87412e+00 1.18049e+02 270.000 -1.18393e-15 -1.93351e+01 0.00000e+00 0.00000e+00 1.83069e+02 270.000 6.50202e+01 270.000 1.0000 
1 1 1 15 15 44 o 11 4.14673e+01 2.83108e+01 1.24114e+02 0.000   3.35811e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.27967e+01 180.000 1.46911e+02 180.000 0.9976 
1 1 1 16 0  0  o 15 3.09731e+02 7.80157e+00 4.59256e+02 180.000 -8.95230e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.42989e+02 180.000 1.16267e+02 0.000   1.0000 
1 1 1 16 0  1  o 17 4.57856e+02 5.70053e+00 5.69448e+02 45.000  2.31862e+01  2.31862e+01  0.00000e+00 0.00000e+00 6.16410e+02 45.000  4.69621e+01 45.000  1.0000 
1 1 1 16 0  2  o 16 2.71614e+02 5.65346e+00 3.91171e+02 90.000  8.17048e-16  1.33434e+01  0.00000e+00 0.00000e+00 3.12224e+02 90.000  7.89471e+01 270.000 1.0000 
1 1 1 16 0  3  f 0  4.69829e+02 5.77343e+00 5.48719e+02 315.000 2.28320e+01  -2.28320e+01 0.00000e+00 0.00000e+00 6.67728e+02 315.000 1.19009e+02 315.000 1.0000 
1 1 1 16 0  4  o 3  8.35848e+01 1.31580e+01 1.03185e+01 180.000 -1.05270e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.23725e+01 180.000 2.05401e+00 180.000 0.1049 
1 1 1 16 0  5  o 6  2.56954e+02 5.77663e+00 2.39915e+02 225.000 -5.41649e+00 -5.41649e+00 0.00000e+00 0.00000e+00 4.24911e+02 225.000 1.84996e+02 225.000 1.0000 
1 1 1 16 0  6  o 2  3.12813e+02 5.57862e+00 2.97874e+02 270.000 -7.05374e-16 -1.15196e+01 0.00000e+00 0.00000e+00 5.11096e+02 270.000 2.13222e+02 270.000 1.0000 
1 1 1 16 0  7  o 10 3.70377e+01 2.01319e+01 9.44531e+01 135.000 -2.86837e-01 2.86837e-01  0.00000e+00 0.00000e+00 5.76189e+01 315.000 1.52072e+02 315.000 0.3848 
1 1 1 16 0  8  o 4  3.28265e+01 1.95621e+01 1.30737e+02 0.000   5.63631e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.74374e+01 180.000 2.18174e+02 180.000 0.5107 
1 1 1 16 0  9  o 5  2.61276e+02 5.76709e+00 2.85618e+02 45.000  7.30755e+00  7.30755e+00  0.00000e+00 0.00000e+00 3.88762e+02 45.000  1.03144e+02 45.000  1.0000 
1 1 1 16 0  10 o 13 4.46439e+02 5.73144e+00 5.14535e+02 270.000 -1.93064e-15 -3.15298e+01 0.00000e+00 0.00000e+00 6.36825e+02 270.000 1.22290e+02 270.000 1.0000 
1 1 1 16 0  11 o 13 2.50538e+02 6.22034e+00 3.70195e+02 135.000 -8.90484e+00 8.90484e+00  0.00000e+00 0.00000e+00 2.75354e+02 135.000 9.48419e+01 315.000 1.0000 
1 1 1 16 0  12 o 17 4.61256e+01 2.10198e+01 3.89187e+01 0.000   2.38796e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.10931e+01 180.000 5.00118e+01 180.000 0.2344 
1 1 1 16 0  15 o 13 3.56934e+02 5.94338e+00 3.91043e+02 135.000 -1.60074e+01 1.60074e+01  0.00000e+00 0.00000e+00 5.24533e+02 135.000 1.33490e+02 135.000 1.0000 
1 1 1 16 0  16 o 13 9.02805e+01 1.44374e+01 8.66324e+01 180.000 -1.20864e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.06772e+02 180.000 2.01398e+01 180.000 0.8363 
1 1 1 16 0  17 o 10 2.72593e+02 6.52856e+00 2.73227e+02 45.000  9.78945e+00  9.78945e+00  0.00000e+00 0.00000e+00 4.24077e+02 45.000  1.50850e+02 45.000  1.0000 
1 1 1 16 0  18 o 5  3.06874e+02 6.42581e+00 2.26739e+02 90.000  7.80731e-16  1.27503e+01  0.00000e+00 0.00000e+00 5.57073e+02 90.000  3.30334e+02 90.000  1.0000 
1 1 1 16 0  19 o 15 2.50242e+02 7.27727e+00 2.53380e+02 315.000 7.74036e+00  -7.74036e+00 0.00000e+00 0.00000e+00 3.84765e+02 315.000 1.31386e+02 315.000 1.0000 
1 1 1 16 0  20 o 8  5.12574e+02 1.15445e+01 6.06212e+02 0.000   6.01384e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.98710e+02 0.000   9.24978e+01 0.000   1.0000 
1 1 1 16 0  22 o 15 3.72201e+01 2.08724e+01 9.41155e+01 270.000 -4.07903e-17 -6.66156e-01 0.00000e+00 0.00000e+00 3.91251e+01 90.000  1.33241e+02 90.000  0.5824 
1 1 1 16 0  23 o 4  8.68039e+01 1.42779e+01 4.13656e+01 315.000 5.03001e-01  -5.03001e-01 0.00000e+00 0.00000e+00 9.30235e+01 315.000 5.16579e+01 315.000 0.6115 
1 1 1 16 0  24 o 3  8.72902e+01 1.51732e+01 9.53062e+01 0.000   1.85369e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.14673e+02 0.000   1.93664e+01 0.000   0.9521 
1 1 1 16 0  25 o 12 5.89374e+02 6.49811e+00 6.27324e+02 225.000 -6.05590e+01 -6.05590e+01 0.00000e+00 0.00000e+00 8.58626e+02 225.000 2.31303e+02 225.000 1.0000 
1 1 1 16 0  26 o 16 3.22258e+01 1.88278e+01 1.32267e+01 270.000 -5.53951e-18 -9.04671e-02 0.00000e+00 0.00000e+00 5.91249e+00 90.000  1.91392e+01 90.000  0.0902 
1 1 1 16 0  27 o 4  3.82205e+01 1.99965e+01 1.40468e+01 315.000 7.82308e-02  -7.82308e-02 0.00000e+00 0.00000e+00 3.47651e+00 135.000 1.75233e+01 135.000 0.1102 
1 1 1 16 0  28 o 5  2.32274e+02 7.16947e+00 1.69133e+02 180.000 -9.88843e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.12482e+02 180.000 2.43349e+02 180.000 1.0000 
1 1 1 16 0  29 o 6  4.27876e+01 2.24357e+01 8.81878e+01 45.000  6.58551e-01  6.58551e-01  0.00000e+00 0.00000e+00 1.00378e+01 225.000 9.82257e+01 225.000 0.7312 
1 1 1 16 0  30 o 3  1.81987e+02 8.27699e+00 1.39285e+02 270.000 -4.07082e-16 -6.64816e+00 0.00000e+00 0.00000e+00 3.14134e+02 270.000 1.74849e+02 270.000 1.0000 
1 1 1 16 0  31 o 14 1.28797e+02 9.47073e+00 1.70845e+02 315.000 5.37201e+00  -5.37201e+00 0.00000e+00 0.00000e+00 1.49211e+02 315.000 2.16338e+01 135.000 1.0000 
1 1 1 16 0  32 o 3  2.89211e+01 1.81554e+01 5.46036e+00 0.000   5.08244e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.82078e+00 180.000 7.28114e+00 180.000 0.0508 
1 1 1 16 0  33 o 13 1.86974e+01 1.33117e+01 2.70105e+01 45.000  1.22529e-01  1.22529e-01  0.00000e+00 0.00000e+00 1.90830e+01 225.000 4.60935e+01 225.000 0.1716 
1 1 1 16 0  34 o 12 2.48667e+01 1.60171e+01 1.23465e+02 270.000 -6.27469e-17 -1.02473e+00 0.00000e+00 0.00000e+00 7.61737e+01 90.000  1.99639e+02 90.000  0.7718 
1 1 1 16 0  35 o 7  1.52111e+02 7.20335e+00 1.63721e+02 315.000 6.95083e+00  -6.95083e+00 0.00000e+00 0.00000e+00 2.09987e+02 315.000 4.62656e+01 315.000 1.0000 
1 1 1 16 0  36 o 2  3.98078e+01 1.92939e+01 4.28906e+01 180.000 -5.60473e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.67217e+00 180.000 3.62184e+01 0.000   0.5083 
1 1 1 16 0  37 o 7  8.35182e+01 1.12533e+01 5.89371e+01 45.000  1.57510e+00  1.57510e+00  0.00000e+00 0.00000e+00 1.40297e+02 45.000  8.13595e+01 45.000  0.9770 
1 1 1 16 0  38 o 17 1.39167e+02 7.20052e+00 1.24610e+02 90.000  4.41906e-16  7.21688e+00  0.00000e+00 0.00000e+00 2.14082e+02 90.000  8.94714e+01 90.000  1.0000 
1 1 1 16 0  39 o 7  8.61195e+01 1.05797e+01 3.13890e+01 135.000 -9.48435e-01 9.48435e-01  0.00000e+00 0.00000e+00 1.50764e+02 135.000 1.19375e+02 135.000 0.8720 
1 1 1 16 0  40 o 7  8.46098e+01 1.05839e+01 1.05060e+02 180.000 -4.52447e+00 0.00000e+00  0.00000e+00 0.00000e+00 9.94273e+01 180.000 5.63230e+00 0.000   0.9998 
1 1 1 16 0  41 o 4  4.54698e+01 1.86428e+01 8.59059e+00 225.000 -1.36007e-01 -1.36007e-01 0.00000e+00 0.00000e+00 1.22216e+01 225.000 3.63103e+00 225.000 0.1900 
1 1 1 16 0  42 o 3  2.81532e+01 1.76542e+01 3.30906e+01 270.000 -3.01128e-17 -4.91779e-01 0.00000e+00 0.00000e+00 2.30040e+00 90.000  3.53910e+01 90.000  0.4556 
1 1 1 16 0  44 o 3  3.53336e+01 1.84613e+01 1.05952e+02 0.000   2.12630e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.41277e+01 180.000 1.30080e+02 180.000 0.9719 
1 1 1 16 0  45 o 8  2.15172e+01 1.43643e+01 7.05066e+01 45.000  6.54144e-01  6.54144e-01  0.00000e+00 0.00000e+00 3.33118e+01 225.000 1.03818e+02 225.000 0.7283 
1 1 1 16 0  46 o 11 1.76064e+02 6.21684e+00 1.96688e+02 270.000 -1.54700e-15 -2.52644e+01 0.00000e+00 0.00000e+00 2.19560e+02 270.000 2.28717e+01 270.000 1.0000 
1 1 1 16 0  47 o 16 1.74755e+01 1.23381e+01 2.50613e+01 315.000 2.10947e-01  -2.10947e-01 0.00000e+00 0.00000e+00 1.31369e+01 135.000 3.81982e+01 135.000 0.2898 
1 1 1 16 0  48 o 4  1.85244e+01 1.28683e+01 2.93206e+01 180.000 -4.11513e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.23890e+01 0.000   4.17096e+01 0.000   0.3898 
1 1 1 16 0  49 o 15 4.97326e+01 1.80418e+01 2.59020e+01 45.000  5.87281e-01  5.87281e-01  0.00000e+00 0.00000e+00 5.31622e+01 45.000  2.72602e+01 45.000  0.6808 
1 1 1 16 0  50 o 18 1.34746e+02 7.10711e+00 1.45417e+02 90.000  1.11201e-15  1.81604e+01  0.00000e+00 0.00000e+00 1.67913e+02 90.000  2.24959e+01 90.000  1.0000 
1 1 1 16 0  51 o 3  8.19282e+01 1.06607e+01 1.22717e+02 135.000 -6.11234e+00 6.11234e+00  0.00000e+00 0.00000e+00 6.69657e+01 135.000 5.57513e+01 315.000 1.0000 
1 1 1 16 0  52 o 4  8.10353e+01 1.11149e+01 9.27908e+01 0.000   7.54541e+00  0.00000e+00  0.00000e+00 0.00000e+00 9.39928e+01 0.000   1.20201e+00 0.000   1.0000 
1 1 1 16 0  53 o 18 1.65535e+02 9.35675e+00 1.42887e+02 225.000 -1.81833e+01 -1.81833e+01 0.00000e+00 0.00000e+00 2.36942e+02 225.000 9.40552e+01 225.000 1.0000 
1 1 1 16 0  54 o 11 1.49184e+02 8.06031e+00 1.20298e+02 270.000 -1.31716e-15 -2.15109e+01 0.00000e+00 0.00000e+00 2.20436e+02 270.000 1.00138e+02 270.000 1.0000 
1 1 1 16 0  55 o 13 3.00139e+01 1.71171e+01 1.73349e+01 315.000 3.71970e-01  -3.71970e-01 0.00000e+00 0.00000e+00 1.55758e+01 315.000 1.75901e+00 135.000 0.4824 
1 1 1 16 0  56 o 13 5.26309e+01 1.86636e+01 3.97499e+01 180.000 -1.94180e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.45214e+01 180.000 3.47715e+01 180.000 0.9597 
1 1 1 16 1  0  o 6  4.43218e+02 5.64500e+00 5.64043e+02 180.000 -3.13694e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.84113e+02 180.000 2.00704e+01 180.000 1.0000 
1 1 1 16 1  1  o 18 9.59449e+01 7.98238e+00 3.92939e+01 150.203 -8.08094e-01 4.62749e-01  0.00000e+00 0.00000e+00 6.54597e+01 150.203 2.61658e+01 150.203 0.4215 
1 1 1 16 1  2  o 1  2.27245e+02 4.24504e+00 2.53179e+02 146.486 -1.20062e+01 7.95099e+00  0.00000e+00 0.00000e+00 3.14577e+02 146.486 6.13979e+01 146.486 0.9646 
1 1 1 16 1  3  o 19 2.77523e+02 3.96821e+00 3.09526e+02 340.525 2.02348e+01  -7.15569e+00 0.00000e+00 0.00000e+00 3.92171e+02 340.525 8.26443e+01 340.525 0.9764 
1 1 1 16 1  4  o 11 3.77514e+02 3.89715e+00 4.86231e+02 348.225 4.47507e+01  -9.32823e+00 0.00000e+00 0.00000e+00 4.80296e+02 348.225 5.93451e+00 168.225 0.9890 
1 1 1 16 1  5  o 18 1.59910e+02 5.65215e+00 1.47025e+02 207.965 -5.12087e+00 -2.71883e+00 0.00000e+00 0.00000e+00 2.29162e+02 207.965 8.21366e+01 207.965 0.9091 
1 1 1 16 1  6  o 1  3.54176e+02 3.87824e+00 4.82433e+02 16.915  4.03134e+01  1.22595e+01  0.00000e+00 0.00000e+00 4.22700e+02 16.915  5.97331e+01 196.915 0.9881 
1 1 1 16 1  7  o 14 3.57814e+02 3.90455e+00 3.89933e+02 160.480 -3.22216e+01 1.14231e+01  0.00000e+00 0.00000e+00 5.21398e+02 160.480 1.31465e+02 160.480 0.9853 
1 1 1 16 1  8  o 9  1.24881e+02 6.52555e+00 1.43894e+02 330.801 4.32753e+00  -2.41843e+00 0.00000e+00 0.00000e+00 1.44001e+02 330.801 1.07206e-01 330.801 0.8924 
1 1 1 16 1  9  f 0  9.10413e+01 8.09511e+00 3.69200e+01 312.376 6.15054e-01  -6.74129e-01 0.00000e+00 0.00000e+00 6.05065e+01 312.376 2.35865e+01 312.376 0.4145 
1 1 1 16 1  10 o 4  1.65830e+02 5.17181e+00 2.31948e+02 182.592 -1.04820e+01 -4.74466e-01 0.00000e+00 0.00000e+00 1.74862e+02 182.592 5.70862e+01 2.592   0.9511 
1 1 1 16 1  11 o 10 4.58333e+02 4.11283e+00 5.00681e+02 105.829 -1.69673e+01 5.98469e+01  0.00000e+00 0.00000e+00 6.70916e+02 105.829 1.70235e+02 105.829 0.9919 
1 1 1 16 1  12 o 18 4.33424e+02 4.20758e+00 5.46312e+02 177.265 -6.74496e+01 3.22228e+00  0.00000e+00 0.00000e+00 5.61229e+02 177.265 1.49172e+01 177.265 0.9926 
1 1 1 16 1  14 f 0  2.59374e+02 4.84158e+00 3.30532e+02 255.777 -6.88635e+00 -2.71692e+01 0.00000e+00 0.00000e+00 3.23725e+02 255.777 6.80718e+00 75.777  0.9820 
1 1 1 16 1  15 o 4  3.86086e+02 4.02955e+00 5.35565e+02 296.517 2.98898e+01  -5.99055e+01 0.00000e+00 0.00000e+00 4.47506e+02 296.517 8.80588e+01 116.517 0.9925 
1 1 1 16 1  16 o 1  1.27471e+02 6.80662e+00 1.88676e+02 343.707 7.28461e+00  -2.12916e+00 0.00000e+00 0.00000e+00 1.15566e+02 343.707 7.31109e+01 163.707 0.9316 
1 1 1 16 1  17 f 0  1.49832e+02 6.47510e+00 2.29123e+02 264.135 -1.28839e+00 -1.25434e+01 0.00000e+00 0.00000e+00 1.38679e+02 264.135 9.04441e+01 84.135  0.9595 
1 1 1 16 1  18 o 14 6.04675e+01 1.21822e+01 1.61841e+02 216.778 -2.70466e+00 -2.02173e+00 0.00000e+00 0.00000e+00 3.29541e+01 36.778  1.94795e+02 36.778  0.8344 
1 1 1 16 1  19 o 15 3.99574e+02 4.44938e+00 4.83453e+02 65.741  2.74208e+01  6.08467e+01  0.00000e+00 0.00000e+00 5.27985e+02 65.741  4.45318e+01 65.741  0.9925 
1 1 1 16 1  22 o 17 3.00824e+02 4.54346e+00 3.02273e+02 71.344  1.22000e+01  3.61338e+01  0.00000e+00 0.00000e+00 4.50837e+02 71.344  1.48564e+02 71.344  0.9868 
1 1 1 16 1  23 o 2  9.25647e+01 9.04391e+00 1.70802e+02 164.482 -7.01793e+00 1.94867e+00  0.00000e+00 0.00000e+00 4.68347e+01 164.482 1.23968e+02 344.482 0.9286 
1 1 1 16 1  24 o 17 4.47997e+01 1.20240e+01 5.24894e+01 130.434 -6.67361e-01 7.83191e-01  0.00000e+00 0.00000e+00 8.04514e-01 310.434 5.32939e+01 310.434 0.4566 
1 1 1 16 1  25 o 8  1.66340e+02 5.24467e+00 1.50900e+02 218.198 -9.08612e+00 -7.14958e+00 0.00000e+00 0.00000e+00 2.49970e+02 218.198 9.90709e+01 218.198 0.9557 
1 1 1 16 1  26 o 17 5.80746e+01 1.08757e+01 3.44358e+01 17.218  8.35614e-01  2.58952e-01  0.00000e+00 0.00000e+00 2.40529e+01 17.218  1.03829e+01 197.218 0.4003 
1 1 1 16 1  27 o 13 1.03496e+02 7.36211e+00 1.67090e+02 246.832 -3.42158e+00 -7.99536e+00 0.00000e+00 0.00000e+00 7.72876e+01 246.832 8.98026e+01 66.832  0.9406 
1 1 1 16 1  28 o 3  2.44618e+02 4.61135e+00 2.68000e+02 65.629  1.36315e+01  3.00904e+01  0.00000e+00 0.00000e+00 3.35266e+02 65.629  6.72665e+01 65.629  0.9847 
1 1 1 16 1  29 f 0  3.33501e+02 4.34958e+00 3.04305e+02 315.192 4.14228e+01  -4.11463e+01 0.00000e+00 0.00000e+00 5.21682e+02 315.192 2.17377e+02 315.192 0.9914 
1 1 1 16 1  30 f 0  4.93990e+01 1.29235e+01 1.45904e+02 195.762 -3.34238e+00 -9.43419e-01 0.00000e+00 0.00000e+00 4.25439e+01 15.762  1.88448e+02 15.762  0.8397 
1 1 1 16 1  31 o 11 8.28426e+01 1.08670e+01 1.67281e+02 93.362  -5.27101e-01 8.97388e+00  0.00000e+00 0.00000e+00 2.67945e+01 93.362  1.40486e+02 273.362 0.9426 
1 1 1 16 1  32 o 14 6.34687e+01 1.15573e+01 4.99975e+01 350.169 2.06081e+00  -3.57105e-01 0.00000e+00 0.00000e+00 6.20468e+01 350.169 1.20493e+01 350.169 0.7122 
1 1 1 16 1  33 o 4  1.18483e+02 7.86545e+00 1.34653e+02 135.253 -7.94364e+00 7.87372e+00  0.00000e+00 0.00000e+00 1.44778e+02 135.253 1.01253e+01 135.253 0.9542 
1 1 1 16 1  34 o 8  1.17585e+02 6.52699e+00 9.79988e+01 85.009  7.18795e-01  8.23115e+00  0.00000e+00 0.00000e+00 1.73639e+02 85.009  7.56405e+01 85.009  0.9374 
1 1 1 16 1  35 f 0  5.72158e+01 1.12557e+01 1.74405e+02 125.745 -4.18620e+00 5.81615e+00  0.00000e+00 0.00000e+00 4.40312e+01 305.745 2.18436e+02 305.745 0.9273 
1 1 1 16 1  36 o 8  1.39512e+02 5.27346e+00 1.75177e+02 66.186  7.41182e+00  1.67941e+01  0.00000e+00 0.00000e+00 1.57136e+02 66.186  1.80406e+01 246.186 0.9724 
1 1 1 16 1  37 o 7  1.45809e+02 4.96853e+00 1.40673e+02 191.589 -1.89695e+01 -3.89008e+00 0.00000e+00 0.00000e+00 2.06067e+02 191.589 6.53932e+01 191.589 0.9738 
1 1 1 16 1  38 o 7  5.28167e+01 1.07553e+01 1.15511e+02 184.321 -4.63519e+00 -3.50234e-01 0.00000e+00 0.00000e+00 1.79582e+00 4.321   1.17307e+02 4.321   0.8845 
1 1 1 16 1  39 o 13 9.58860e+01 6.70861e+00 1.36176e+02 236.938 -7.15374e+00 -1.09899e+01 0.00000e+00 0.00000e+00 8.73889e+01 236.938 4.87872e+01 56.938  0.9611 
1 1 1 16 1  40 o 17 7.93279e+01 7.73407e+00 1.16953e+02 256.659 -2.16611e+00 -9.13440e+00 0.00000e+00 0.00000e+00 6.43188e+01 256.659 5.26337e+01 76.659  0.9451 
1 1 1 16 1  41 o 12 5.12081e+01 1.07242e+01 8.85107e+01 34.006  3.97287e+00  2.68037e+00  0.00000e+00 0.00000e+00 2.10888e+01 34.006  6.74219e+01 214.006 0.8883 
1 1 1 16 1  42 o 11 2.18948e+02 4.40866e+00 2.40031e+02 223.541 -4.85600e+01 -4.61476e+01 0.00000e+00 0.00000e+00 2.81657e+02 223.541 4.16264e+01 223.541 0.9925 
1 1 1 16 1  43 o 4  1.04628e+02 2.17450e+01 1.34687e+02 330.367 7.89925e+00  -4.49348e+00 0.00000e+00 0.00000e+00 1.01374e+02 330.367 3.33131e+01 150.367 0.9433 
1 1 1 16 1  44 o 5  1.15004e+02 5.76695e+00 1.73959e+02 256.775 -6.37580e+00 -2.71311e+01 0.00000e+00 0.00000e+00 9.51263e+01 256.775 7.88327e+01 76.775  0.9819 
1 1 1 16 1  45 o 15 1.59474e+02 5.06367e+00 1.96183e+02 196.876 -4.10759e+01 -1.24611e+01 0.00000e+00 0.00000e+00 1.77941e+02 196.876 1.82418e+01 16.876  0.9883 
1 1 1 16 1  46 o 4  1.40784e+02 4.96654e+00 1.66603e+02 99.507  -5.59414e+00 3.34050e+01  0.00000e+00 0.00000e+00 1.61331e+02 99.507  5.27268e+00 279.507 0.9851 
1 1 1 16 1  47 o 1  8.42368e+01 7.32805e+00 1.08125e+02 125.528 -8.50052e+00 1.19048e+01  0.00000e+00 0.00000e+00 8.33510e+01 125.528 2.47741e+01 305.528 0.9652 
1 1 1 16 1  48 o 12 1.03157e+02 6.16043e+00 1.23363e+02 326.900 1.75326e+01  -1.14293e+01 0.00000e+00 0.00000e+00 1.12730e+02 326.900 1.06329e+01 146.900 0.9758 
1 1 1 16 1  49 o 7  3.85545e+01 9.69656e+00 6.17104e+01 278.672 5.15419e-01  -3.37948e+00 0.00000e+00 0.00000e+00 1.36365e+01 278.672 4.80739e+01 98.672  0.8367 
1 1 1 16 1  50 o 6  3.80882e+01 1.03322e+01 5.14968e+01 266.791 -1.72950e-01 -3.08476e+00 0.00000e+00 0.00000e+00 2.08202e+01 266.791 3.06766e+01 86.791  0.8164 
1 1 1 16 1  51 o 2  5.10828e+01 1.03092e+01 1.94258e+01 57.341  8.37489e-01  1.30657e+00  0.00000e+00 0.00000e+00 5.25761e+01 57.341  3.31503e+01 57.341  0.6087 
1 1 1 16 1  52 o 1  9.75139e+01 6.43151e+00 9.92562e+01 108.558 -6.48181e+00 1.93075e+01  0.00000e+00 0.00000e+00 1.19952e+02 108.558 2.06956e+01 108.558 0.9751 
1 1 1 16 1  53 o 15 3.22642e+01 9.78698e+00 4.01475e+01 217.962 -1.96385e+00 -1.53226e+00 0.00000e+00 0.00000e+00 1.64211e+01 217.962 2.37265e+01 37.963  0.7640 
1 1 1 16 1  54 o 17 6.62533e+01 9.79087e+00 5.35313e+01 110.607 -2.54774e+00 6.77572e+00  0.00000e+00 0.00000e+00 8.69311e+01 110.607 3.33998e+01 110.607 0.9281 
1 1 1 16 1  55 o 9  5.34629e+01 1.08264e+01 6.01881e+01 189.118 -6.88308e+00 -1.10470e+00 0.00000e+00 0.00000e+00 5.22736e+01 189.118 7.91447e+00 9.118   0.9252 
1 1 1 16 1  56 o 14 2.98849e+01 9.64866e+00 2.19707e+01 247.596 -5.59406e-01 -1.35697e+00 0.00000e+00 0.00000e+00 1.77949e+01 247.596 4.17586e+00 67.596  0.5881 
1 1 1 16 2  0  o 10 3.32687e+02 5.48663e+00 5.40937e+02 180.000 -2.23961e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.21257e+02 180.000 2.19680e+02 0.000   1.0000 
1 1 1 16 2  1  o 6  3.97596e+02 3.92354e+00 3.78670e+02 74.068  1.02804e+01  3.60121e+01  0.00000e+00 0.00000e+00 6.37847e+02 74.068  2.59176e+02 74.068  0.9866 
1 1 1 16 2  2  o 11 2.53418e+02 4.07032e+00 3.57764e+02 299.080 1.09409e+01  -1.96728e+01 0.00000e+00 0.00000e+00 2.84127e+02 299.080 7.36371e+01 119.080 0.9775 
1 1 1 16 2  3  o 15 4.60919e+02 4.07205e+00 5.60860e+02 295.440 2.75032e+01  -5.78179e+01 0.00000e+00 0.00000e+00 6.23834e+02 295.440 6.29741e+01 295.440 0.9922 
1 1 1 16 2  4  o 14 4.56895e+02 4.06135e+00 5.47606e+02 40.013  4.72987e+01  3.97071e+01  0.00000e+00 0.00000e+00 6.26049e+02 40.013  7.84435e+01 40.013  0.9919 
1 1 1 16 2  5  o 15 1.42631e+02 5.97859e+00 1.28874e+02 301.152 2.32257e+00  -3.84220e+00 0.00000e+00 0.00000e+00 1.96071e+02 301.152 6.71965e+01 301.152 0.8800 
1 1 1 16 2  6  f 0  2.16302e+02 4.62591e+00 1.72798e+02 169.340 -1.02635e+01 1.93194e+00  0.00000e+00 0.00000e+00 3.59392e+02 169.340 1.86594e+02 169.340 0.9508 
1 1 1 16 2  7  o 10 2.25908e+02 4.35585e+00 2.43895e+02 197.146 -1.46335e+01 -4.51469e+00 0.00000e+00 0.00000e+00 3.20925e+02 197.146 7.70306e+01 197.146 0.9668 
1 1 1 16 2  8  o 8  8.57220e+01 9.57401e+00 1.50189e+02 344.157 3.33179e+00  -9.45493e-01 0.00000e+00 0.00000e+00 3.57239e+01 344.157 1.14465e+02 164.157 0.8392 
1 1 1 16 2  9  o 1  2.24777e+02 4.39221e+00 2.57004e+02 93.561  -9.82143e-01 1.57841e+01  0.00000e+00 0.00000e+00 3.04833e+02 93.561  4.78286e+01 93.561  0.9678 
1 1 1 16 2  10 o 6  1.71925e+02 5.13266e+00 2.91937e+02 137.745 -1.00556e+01 9.13538e+00  0.00000e+00 0.00000e+00 1.35054e+02 137.745 1.56883e+02 317.745 0.9625 
1 1 1 16 2  11 o 7  5.40018e+01 1.20289e+01 7.58510e+01 215.542 -9.10505e-01 -6.50469e-01 0.00000e+00 0.00000e+00 8.05453e+00 35.542  8.39055e+01 35.542  0.4870 
1 1 1 16 2  14 o 12 2.07654e+02 4.70786e+00 3.05085e+02 226.540 -1.41488e+01 -1.49308e+01 0.00000e+00 0.00000e+00 2.15406e+02 226.540 8.96791e+01 46.540  0.9754 
1 1 1 16 2  15 o 10 3.56213e+02 4.04709e+00 3.27699e+02 159.618 -3.51667e+01 1.30655e+01  0.00000e+00 0.00000e+00 5.74279e+02 159.618 2.46581e+02 159.618 0.9866 
1 1 1 16 2  16 o 14 3.94045e+02 4.49228e+00 4.65117e+02 162.878 -6.54418e+01 2.01595e+01  0.00000e+00 0.00000e+00 5.37475e+02 162.878 7.23575e+01 162.878 0.9927 
1 1 1 16 2  17 o 9  1.82800e+02 5.35979e+00 2.52574e+02 345.848 1.64314e+01  -4.14321e+00 0.00000e+00 0.00000e+00 2.01281e+02 345.848 5.12930e+01 165.848 0.9700 
1 1 1 16 2  18 o 2  2.37426e+02 4.92345e+00 2.15726e+02 30.776  1.53031e+01  9.11366e+00  0.00000e+00 0.00000e+00 3.73763e+02 30.776  1.58037e+02 30.776  0.9715 
1 1 1 16 2  19 o 11 2.52547e+02 5.02618e+00 3.05181e+02 336.551 2.42002e+01  -1.04971e+01 0.00000e+00 0.00000e+00 3.26874e+02 336.551 2.16928e+01 336.551 0.9809 
1 1 1 16 2  21 o 16 5.29167e+01 1.32908e+01 9.54013e+01 98.635  -2.96288e-01 1.95105e+00  0.00000e+00 0.00000e+00 2.10607e+00 278.635 9.75074e+01 278.635 0.6934 
1 1 1 16 2  22 o 9  4.27447e+02 4.70654e+00 3.87710e+02 299.826 3.43221e+01  -5.98677e+01 0.00000e+00 0.00000e+00 6.89286e+02 299.826 3.01576e+02 299.826 0.9927 
1 1 1 16 2  23 o 10 2.23131e+02 4.77545e+00 1.97009e+02 108.741 -6.69904e+00 1.97451e+01  0.00000e+00 0.00000e+00 3.54487e+02 108.741 1.57478e+02 108.741 0.9757 
1 1 1 16 2  24 o 12 1.61967e+02 5.41701e+00 1.48383e+02 287.237 3.31666e+00  -1.06901e+01 0.00000e+00 0.00000e+00 2.42327e+02 287.237 9.39439e+01 287.237 0.9542 
1 1 1 16 2  25 o 18 7.68308e+01 9.90224e+00 7.17057e+01 290.190 8.36438e-01  -2.27462e+00 0.00000e+00 0.00000e+00 7.49020e+01 290.190 3.19632e+00 290.190 0.7564 
1 1 1 16 2  26 o 11 7.19392e+01 1.01974e+01 8.81458e+01 99.233  -4.46006e-01 2.74373e+00  0.00000e+00 0.00000e+00 5.53210e+01 99.233  3.28248e+01 279.233 0.7923 
1 1 1 16 2  27 o 2  1.40675e+02 5.68556e+00 1.51553e+02 351.604 1.06953e+01  -1.57860e+00 0.00000e+00 0.00000e+00 1.84976e+02 351.604 3.34234e+01 351.604 0.9526 
1 1 1 16 2  28 o 5  6.46271e+01 1.18409e+01 2.31388e+01 171.914 -7.93273e-01 1.12706e-01  0.00000e+00 0.00000e+00 3.70250e+01 171.914 1.38862e+01 171.914 0.3716 
1 1 1 16 2  29 o 8  8.37428e+01 9.69093e+00 8.64087e+01 9.103   3.88041e+00  6.21723e-01  0.00000e+00 0.00000e+00 9.37475e+01 9.103   7.33877e+00 9.103   0.8608 
1 1 1 16 2  30 o 8  3.12563e+02 4.54803e+00 4.02872e+02 21.232  6.16616e+01  2.39562e+01  0.00000e+00 0.00000e+00 3.70410e+02 21.232  3.24615e+01 201.232 0.9924 
1 1 1 16 2  31 o 13 4.11831e+01 1.22084e+01 6.91770e+01 106.301 -5.03774e-01 1.72269e+00  0.00000e+00 0.00000e+00 1.48920e+00 286.301 7.06662e+01 286.301 0.6610 
1 1 1 16 2  32 o 19 1.88326e+02 5.35081e+00 1.92703e+02 187.351 -2.58176e+01 -3.33053e+00 0.00000e+00 0.00000e+00 2.65214e+02 187.351 7.25108e+01 187.351 0.9806 
1 1 1 16 2  33 o 3  1.98856e+02 5.17720e+00 2.58370e+02 260.499 -6.10256e+00 -3.64619e+01 0.00000e+00 0.00000e+00 2.26641e+02 260.499 3.17285e+01 80.499  0.9864 
1 1 1 16 2  34 o 16 1.24623e+02 6.79702e+00 6.53429e+01 326.515 4.83204e+00  -3.19642e+00 0.00000e+00 0.00000e+00 2.13969e+02 326.515 1.48626e+02 326.515 0.9090 
1 1 1 16 2  35 o 11 3.50493e+01 1.06890e+01 3.11802e+01 164.828 -7.62503e-01 2.06764e-01  0.00000e+00 0.00000e+00 4.48240e-01 164.828 3.07320e+01 344.828 0.3671 
1 1 1 16 2  36 o 6  1.32962e+02 5.65777e+00 1.28613e+02 2.344   1.27253e+01  5.20826e-01  0.00000e+00 0.00000e+00 1.84169e+02 2.344   5.55562e+01 2.344   0.9599 
1 1 1 16 2  37 o 10 7.53411e+01 9.27102e+00 1.00294e+02 116.190 -2.92883e+00 5.95490e+00  0.00000e+00 0.00000e+00 6.92657e+01 116.190 3.10280e+01 296.190 0.9212 
1 1 1 16 2  38 o 10 1.40192e+02 5.34686e+00 1.66008e+02 189.918 -1.89178e+01 -3.30768e+00 0.00000e+00 0.00000e+00 1.66362e+02 189.918 3.53380e-01 189.918 0.9736 
1 1 1 16 2  39 o 16 8.29536e+01 7.94304e+00 9.74875e+01 149.312 -7.12540e+00 4.22867e+00  0.00000e+00 0.00000e+00 9.12713e+01 149.312 6.21619e+00 329.312 0.9376 
1 1 1 16 2  40 o 4  1.37790e+02 5.29453e+00 1.47826e+02 47.668  1.38726e+01  1.52290e+01  0.00000e+00 0.00000e+00 1.77262e+02 47.668  2.94361e+01 47.668  0.9754 
1 1 1 16 2  41 o 18 8.62572e+01 7.23090e+00 1.30677e+02 250.281 -4.35401e+00 -1.21473e+01 0.00000e+00 0.00000e+00 6.90054e+01 250.281 6.16718e+01 70.281  0.9604 
1 1 1 16 2  42 o 8  1.24697e+02 7.18621e+00 1.74467e+02 294.378 1.08677e+01  -2.39823e+01 0.00000e+00 0.00000e+00 1.19275e+02 294.378 5.51920e+01 114.378 0.9808 
1 1 1 16 2  43 f 0  4.61338e+01 1.10370e+01 5.33396e+01 52.910  1.30751e+00  1.72947e+00  0.00000e+00 0.00000e+00 2.65348e+01 52.910  2.68048e+01 232.910 0.7235 
1 1 1 16 2  44 o 18 1.41478e+02 5.05078e+00 1.16404e+02 171.018 -2.36373e+01 3.73636e+00  0.00000e+00 0.00000e+00 2.13751e+02 171.018 9.73472e+01 171.018 0.9789 
1 1 1 16 2  45 o 7  7.09331e+01 8.91205e+00 8.26496e+01 14.613  7.13198e+00  1.85942e+00  0.00000e+00 0.00000e+00 7.39198e+01 14.613  8.72980e+00 194.613 0.9295 
1 1 1 16 2  46 o 13 4.74502e+01 1.04990e+01 9.67843e+01 265.235 -4.79103e-01 -5.74792e+00 0.00000e+00 0.00000e+00 5.20044e+00 265.235 9.15839e+01 85.235  0.9086 
1 1 1 16 2  47 o 10 5.62398e+01 1.03171e+01 4.52512e+01 225.276 -2.60738e+00 -2.63267e+00 0.00000e+00 0.00000e+00 6.75295e+01 225.276 2.22783e+01 225.276 0.8512 
1 1 1 16 2  48 o 16 4.39431e+01 1.06277e+01 4.17405e+01 37.134  2.09459e+00  1.58610e+00  0.00000e+00 0.00000e+00 3.84956e+01 37.134  3.24484e+00 217.134 0.7782 
1 1 1 16 2  49 o 17 5.70532e+01 1.02097e+01 2.42966e+01 23.457  2.04948e+00  8.89322e-01  0.00000e+00 0.00000e+00 7.33818e+01 23.457  4.90852e+01 23.457  0.7327 
1 1 1 16 2  50 o 3  7.84685e+01 8.46757e+00 7.20266e+01 189.094 -9.36536e+00 -1.49910e+00 0.00000e+00 0.00000e+00 1.00632e+02 189.094 2.86057e+01 189.094 0.9457 
1 1 1 16 2  51 o 13 9.79585e+01 6.95844e+00 1.11633e+02 69.991  7.19973e+00  1.97709e+01  0.00000e+00 0.00000e+00 1.09833e+02 69.991  1.80027e+00 249.990 0.9759 
1 1 1 16 2  52 o 3  7.74116e+01 8.76552e+00 1.08732e+02 302.422 8.71911e+00  -1.37276e+01 0.00000e+00 0.00000e+00 6.42210e+01 302.422 4.45113e+01 122.422 0.9687 
1 1 1 16 2  53 o 11 9.93782e+01 6.83234e+00 9.26785e+01 140.061 -1.65044e+01 1.38189e+01  0.00000e+00 0.00000e+00 1.30115e+02 140.061 3.74365e+01 140.061 0.9765 
1 1 1 16 2  54 o 8  2.86011e+01 9.21179e+00 2.41690e+01 191.188 -1.41686e+00 -2.80232e-01 0.00000e+00 0.00000e+00 1.38755e+01 191.188 1.02935e+01 11.188  0.5821 
1 1 1 16 2  55 o 12 3.18594e+01 1.00071e+01 5.65227e+01 144.295 -3.29918e+00 2.37115e+00  0.00000e+00 0.00000e+00 6.22566e+00 144.295 5.02970e+01 324.295 0.8659 
1 1 1 16 2  56 o 6  4.51777e+01 1.10774e+01 7.59292e+01 246.952 -3.09197e+00 -7.26731e+00 0.00000e+00 0.00000e+00 1.96268e+01 246.952 5.63024e+01 66.952  0.9344 
1 1 1 16 3  0  o 7  3.19664e+02 5.63201e+00 3.51583e+02 180.000 -1.37877e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.77449e+02 180.000 1.25866e+02 180.000 1.0000 
1 1 1 16 3  1  o 5  7.28358e+02 5.14663e+00 8.45155e+02 320.391 1.15911e+02  -9.59223e+01 0.00000e+00 0.00000e+00 1.03744e+03 320.391 1.92280e+02 320.391 0.9967 
1 1 1 16 3  2  o 2  1.13161e+02 7.01900e+00 1.53529e+02 48.998  3.15826e+00  3.63293e+00  0.00000e+00 0.00000e+00 1.07292e+02 48.998  4.62373e+01 228.998 0.8889 
1 1 1 16 3  3  o 9  1.73178e+02 5.08244e+00 2.43643e+02 142.300 -9.30655e+00 7.19293e+00  0.00000e+00 0.00000e+00 1.85782e+02 142.300 5.78602e+01 322.300 0.9565 
1 1 1 16 3  4  o 14 3.64147e+02 3.94893e+00 3.92180e+02 317.090 2.91699e+01  -2.71157e+01 0.00000e+00 0.00000e+00 5.39642e+02 317.090 1.47462e+02 317.090 0.9874 
1 1 1 16 3  5  o 2  1.75858e+02 5.27240e+00 1.65415e+02 209.458 -7.00277e+00 -3.95522e+00 0.00000e+00 0.00000e+00 2.60829e+02 209.458 9.54140e+01 209.458 0.9356 
1 1 1 16 3  6  o 9  5.95046e+01 1.25426e+01 4.51409e+01 42.253  5.22744e-01  4.74882e-01  0.00000e+00 0.00000e+00 6.13625e+00 42.253  3.90047e+01 222.253 0.3328 
1 1 1 16 3  7  o 2  1.64306e+02 5.27944e+00 2.69484e+02 10.611  1.18976e+01  2.22904e+00  0.00000e+00 0.00000e+00 1.37774e+02 10.611  1.31710e+02 190.611 0.9578 
1 1 1 16 3  8  f 0  1.34932e+02 6.13187e+00 5.77985e+01 63.474  9.42344e-01  1.88792e+00  0.00000e+00 0.00000e+00 1.91733e+02 63.474  1.33935e+02 63.474  0.7150 
1 1 1 16 3  9  o 10 1.22938e+02 6.92546e+00 2.83457e+02 56.315  5.49539e+00  8.24453e+00  0.00000e+00 0.00000e+00 1.77782e+01 56.315  2.65679e+02 236.314 0.9481 
1 1 1 16 3  10 o 13 1.11418e+02 2.07855e+01 2.45662e+02 270.816 9.63816e-02  -6.76765e+00 0.00000e+00 0.00000e+00 1.98534e+01 270.816 2.25809e+02 90.816  0.9229 
1 1 1 16 3  12 o 1  3.08793e+02 4.42299e+00 3.91272e+02 280.305 7.09902e+00  -3.90451e+01 0.00000e+00 0.00000e+00 3.94514e+02 280.305 3.24185e+00 280.305 0.9873 
1 1 1 16 3  13 o 1  1.51641e+02 5.59229e+00 2.67289e+02 244.038 -5.73638e+00 -1.17814e+01 0.00000e+00 0.00000e+00 1.07921e+02 244.038 1.59368e+02 64.038  0.9611 
1 1 1 16 3  14 o 8  2.13141e+02 4.55786e+00 1.52404e+02 111.905 -3.88923e+00 9.67215e+00  0.00000e+00 0.00000e+00 3.68720e+02 111.905 2.16317e+02 111.905 0.9508 
1 1 1 16 3  15 o 14 5.94540e+01 1.08782e+01 3.52551e+01 21.578  6.96342e-01  2.75389e-01  0.00000e+00 0.00000e+00 1.82521e+01 21.578  1.70031e+01 201.578 0.3504 
1 1 1 16 3  16 o 17 2.82410e+02 4.10306e+00 1.43621e+02 66.534  5.97390e+00  1.37611e+01  0.00000e+00 0.00000e+00 5.56175e+02 66.534  4.12554e+02 66.534  0.9661 
1 1 1 16 3  17 o 17 3.59912e+02 4.27265e+00 5.15430e+02 181.626 -6.48485e+01 -1.84087e+00 0.00000e+00 0.00000e+00 3.99286e+02 181.626 1.16145e+02 1.626   0.9923 
1 1 1 16 3  18 o 6  1.11532e+02 7.32551e+00 2.39807e+02 144.798 -7.41572e+00 5.23166e+00  0.00000e+00 0.00000e+00 2.92243e+01 144.798 2.10583e+02 324.798 0.9432 
1 1 1 16 3  20 o 2  3.70586e+02 1.38002e+01 2.96514e+02 224.619 -2.80257e+01 -2.76556e+01 0.00000e+00 0.00000e+00 6.36065e+02 224.619 3.39551e+02 224.619 0.9872 
1 1 1 16 3  21 o 1  2.58266e+02 5.12060e+00 4.10714e+02 2.573   4.42926e+01  1.99049e+00  0.00000e+00 0.00000e+00 2.39011e+02 2.573   1.71702e+02 182.573 0.9887 
1 1 1 16 3  22 o 19 8.50070e+01 1.07749e+01 1.41003e+02 10.343  5.32740e+00  9.72327e-01  0.00000e+00 0.00000e+00 5.37880e+01 10.343  8.72147e+01 190.343 0.9022 
1 1 1 16 3  23 o 5  4.72741e+02 4.81635e+00 5.41675e+02 268.219 -3.73756e+00 -1.20207e+02 0.00000e+00 0.00000e+00 6.51702e+02 268.219 1.10027e+02 268.219 0.9958 
1 1 1 16 3  24 o 8  3.65559e+01 1.10187e+01 7.16969e+01 63.396  5.13523e-01  1.02530e+00  0.00000e+00 0.00000e+00 2.58306e+01 243.396 9.75275e+01 243.396 0.4960 
1 1 1 16 3  25 o 17 3.44422e+01 1.06880e+01 8.50465e+01 150.423 -1.11953e+00 6.35383e-01  0.00000e+00 0.00000e+00 3.81831e+01 330.423 1.23230e+02 330.423 0.5390 
1 1 1 16 3  26 o 13 1.98574e+02 5.26719e+00 2.36353e+02 277.450 3.12284e+00  -2.38819e+01 0.00000e+00 0.00000e+00 2.53342e+02 277.450 1.69890e+01 277.450 0.9790 
1 1 1 16 3  27 o 10 1.12929e+02 6.87870e+00 1.07726e+02 70.680  2.00321e+00  5.71403e+00  0.00000e+00 0.00000e+00 1.51449e+02 70.680  4.37230e+01 70.680  0.9132 
1 1 1 16 3  28 o 10 1.12948e+02 6.67546e+00 1.50598e+02 103.260 -2.21420e+00 9.39568e+00  0.00000e+00 0.00000e+00 1.17489e+02 103.260 3.31096e+01 283.260 0.9467 
1 1 1 16 3  29 o 9  3.82299e+01 1.13914e+01 1.67094e+02 204.022 -2.88981e+00 -1.28795e+00 0.00000e+00 0.00000e+00 8.85552e+01 24.022  2.55649e+02 24.022  0.8214 
1 1 1 16 3  30 o 9  1.05153e+02 8.82740e+00 1.23072e+02 44.315  6.24144e+00  6.09396e+00  0.00000e+00 0.00000e+00 1.23724e+02 44.315  6.51841e-01 44.315  0.9408 
1 1 1 16 3  31 o 2  1.79995e+02 6.11267e+00 1.66070e+02 209.486 -1.87321e+01 -1.05919e+01 0.00000e+00 0.00000e+00 2.71250e+02 209.486 1.05180e+02 209.486 0.9765 
1 1 1 16 3  32 o 14 2.14124e+02 5.77832e+00 2.71105e+02 246.564 -1.67110e+01 -3.85495e+01 0.00000e+00 0.00000e+00 2.53858e+02 246.564 1.72479e+01 66.563  0.9880 
1 1 1 16 3  33 o 14 1.87299e+02 5.04687e+00 2.42567e+02 62.054  1.56186e+01  2.94416e+01  0.00000e+00 0.00000e+00 2.13887e+02 62.054  2.86804e+01 242.054 0.9849 
1 1 1 16 3  34 o 9  1.40178e+02 5.95158e+00 1.20192e+02 307.955 8.15859e+00  -1.04593e+01 0.00000e+00 0.00000e+00 2.12366e+02 307.955 9.21733e+01 307.955 0.9615 
1 1 1 16 3  35 o 7  1.53169e+02 5.43388e+00 1.70559e+02 292.345 7.51305e+00  -1.82778e+01 0.00000e+00 0.00000e+00 1.96569e+02 292.345 2.60105e+01 292.345 0.9744 
1 1 1 16 3  36 o 19 2.13935e+02 4.49797e+00 2.40042e+02 320.657 3.80258e+01  -3.11709e+01 0.00000e+00 0.00000e+00 2.79258e+02 320.657 3.92158e+01 320.657 0.9898 
1 1 1 16 3  37 o 9  4.59713e+01 1.14027e+01 6.51784e+01 247.283 -8.77281e-01 -2.09547e+00 0.00000e+00 0.00000e+00 1.77309e+01 247.283 4.74474e+01 67.283  0.7377 
1 1 1 16 3  38 o 2  3.97729e+01 1.08978e+01 7.50823e+01 131.415 -1.83546e+00 2.08079e+00  0.00000e+00 0.00000e+00 1.66252e+00 131.415 7.34198e+01 311.415 0.7918 
1 1 1 16 3  39 o 1  1.11132e+02 6.11498e+00 1.37132e+02 2.900   1.59970e+01  8.10255e-01  0.00000e+00 0.00000e+00 1.24215e+02 2.900   1.29163e+01 182.900 0.9683 
1 1 1 16 3  40 o 15 1.77560e+02 4.43714e+00 2.31423e+02 177.752 -4.16587e+01 1.63552e+00  0.00000e+00 0.00000e+00 1.93172e+02 177.752 3.82508e+01 357.752 0.9879 
1 1 1 16 3  41 o 4  6.74814e+01 9.48018e+00 7.71105e+01 294.224 2.30962e+00  -5.13343e+00 0.00000e+00 0.00000e+00 7.03870e+01 294.224 6.72344e+00 114.224 0.9062 
1 1 1 16 3  43 o 11 1.01656e+02 6.91709e+00 6.94755e+01 170.446 -9.57869e+00 1.61220e+00  0.00000e+00 0.00000e+00 1.61059e+02 170.446 9.15838e+01 170.446 0.9470 
1 1 1 16 3  44 o 4  5.73081e+01 1.11167e+01 2.81808e+01 131.440 -1.32054e+00 1.49575e+00  0.00000e+00 0.00000e+00 6.71107e+01 131.440 3.89300e+01 131.440 0.6970 
1 1 1 16 3  45 o 4  1.17147e+02 6.20008e+00 1.21657e+02 13.765  1.97659e+01  4.84216e+00  0.00000e+00 0.00000e+00 1.49816e+02 13.765  2.81597e+01 13.765  0.9751 
1 1 1 16 3  46 o 3  5.20882e+01 1.09991e+01 3.78335e+01 141.803 -1.98648e+00 1.56303e+00  0.00000e+00 0.00000e+00 5.68606e+01 141.803 1.90271e+01 141.803 0.7680 
1 1 1 16 3  47 o 5  8.37421e+01 7.87032e+00 1.37069e+02 305.460 1.04401e+01  -1.46580e+01 0.00000e+00 0.00000e+00 5.48054e+01 305.460 8.22638e+01 125.460 0.9718 
1 1 1 16 3  48 o 14 9.42626e+01 7.13555e+00 1.14059e+02 325.695 1.39298e+01  -9.50398e+00 0.00000e+00 0.00000e+00 1.00611e+02 325.695 1.34482e+01 145.695 0.9699 
1 1 1 16 3  49 o 8  3.09347e+01 9.40288e+00 6.04883e+01 188.000 -3.06291e+00 -4.30489e-01 0.00000e+00 0.00000e+00 1.41783e+00 8.000   6.19061e+01 8.000   0.8166 
1 1 1 16 3  50 o 16 4.16242e+01 9.99220e+00 8.50643e+00 67.303  2.18624e-01  5.22712e-01  0.00000e+00 0.00000e+00 1.79031e+01 67.303  9.39666e+00 67.303  0.2725 
1 1 1 16 3  51 o 4  3.81239e+01 1.05994e+01 2.47447e+01 91.397  -3.85626e-02 1.58124e+00  0.00000e+00 0.00000e+00 2.96694e+01 91.397  4.92462e+00 91.397  0.6157 
1 1 1 16 3  52 o 11 1.12957e+02 5.94617e+00 8.55970e+01 230.754 -1.37561e+01 -1.68390e+01 0.00000e+00 0.00000e+00 1.69032e+02 230.754 8.34354e+01 230.754 0.9767 
1 1 1 16 3  53 o 19 3.53947e+01 1.00602e+01 3.26204e+01 180.914 -2.34386e+00 -3.73892e-02 0.00000e+00 0.00000e+00 2.81188e+01 180.914 4.50169e+00 0.914   0.7469 
1 1 1 16 3  54 f 0  1.09511e+02 6.27804e+00 8.45898e+01 318.794 1.80306e+01  -1.57877e+01 0.00000e+00 0.00000e+00 1.60569e+02 318.794 7.59791e+01 318.794 0.9789 
1 1 1 16 3  55 o 17 5.00097e+01 1.10711e+01 3.24057e+01 116.552 -1.53970e+00 3.08121e+00  0.00000e+00 0.00000e+00 6.30019e+01 116.552 3.05962e+01 116.552 0.8382 
1 1 1 16 3  56 o 4  6.07678e+01 1.03343e+01 7.35158e+01 95.799  -1.08011e+00 1.06357e+01  0.00000e+00 0.00000e+00 5.75363e+01 95.799  1.59794e+01 275.799 0.9520 
1 1 1 16 4  0  o 19 4.62112e+01 2.14600e+01 1.18249e+02 0.000   6.99657e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.57720e+01 180.000 1.64021e+02 180.000 0.6041 
1 1 1 16 4  1  o 6  3.49342e+02 4.01034e+00 3.50404e+02 271.275 7.50378e-01  -3.37250e+01 0.00000e+00 0.00000e+00 5.42914e+02 271.275 1.92510e+02 271.275 0.9851 
1 1 1 16 4  2  o 8  1.09734e+02 7.53962e+00 1.15082e+02 39.692  2.63572e+00  2.18763e+00  0.00000e+00 0.00000e+00 1.23345e+02 39.692  8.26303e+00 39.692  0.8371 
1 1 1 16 4  3  o 12 2.96158e+02 4.09958e+00 1.83548e+02 239.072 -7.66843e+00 -1.27988e+01 0.00000e+00 0.00000e+00 5.58770e+02 239.072 3.75222e+02 239.072 0.9659 
1 1 1 16 4  4  o 12 3.45244e+02 3.98133e+00 3.45170e+02 294.513 1.35314e+01  -2.96737e+01 0.00000e+00 0.00000e+00 5.36637e+02 294.513 1.91466e+02 294.513 0.9845 
1 1 1 16 4  5  o 3  2.08676e+02 4.59894e+00 1.57829e+02 120.834 -4.88435e+00 8.18239e+00  0.00000e+00 0.00000e+00 3.54082e+02 120.834 1.96253e+02 120.834 0.9460 
1 1 1 16 4  6  o 7  1.79871e+02 5.21627e+00 2.33406e+02 60.390  5.95746e+00  1.04828e+01  0.00000e+00 0.00000e+00 2.13046e+02 60.390  2.03605e+01 240.390 0.9576 
1 1 1 16 4  7  o 14 5.11645e+02 4.48101e+00 5.35062e+02 351.814 7.75569e+01  -1.11566e+01 0.00000e+00 0.00000e+00 7.81895e+02 351.814 2.46834e+02 351.814 0.9936 
1 1 1 16 4  10 o 10 1.25141e+02 6.59351e+00 1.20260e+02 245.942 -1.99881e+00 -4.47721e+00 0.00000e+00 0.00000e+00 1.67982e+02 245.942 4.77221e+01 245.942 0.8911 
1 1 1 16 4  11 o 12 2.86280e+02 4.10657e+00 4.57686e+02 134.836 -3.01606e+01 3.03336e+01  0.00000e+00 0.00000e+00 2.72943e+02 134.836 1.84743e+02 314.836 0.9882 
1 1 1 16 4  12 o 2  3.91007e+02 3.99941e+00 3.94940e+02 277.126 6.19384e+00  -4.95445e+01 0.00000e+00 0.00000e+00 6.03688e+02 277.126 2.08748e+02 277.126 0.9899 
1 1 1 16 4  13 f 0  3.51595e+02 4.03550e+00 4.19442e+02 54.393  3.24107e+01  4.52583e+01  0.00000e+00 0.00000e+00 4.78505e+02 54.393  5.90626e+01 54.393  0.9910 
1 1 1 16 4  14 o 8  3.17468e+02 4.16081e+00 3.25882e+02 303.317 2.11974e+01  -3.22492e+01 0.00000e+00 0.00000e+00 4.80677e+02 303.317 1.54795e+02 303.317 0.9870 
1 1 1 16 4  15 f 0  2.05049e+02 4.61281e+00 1.81174e+02 74.890  3.56222e+00  1.31932e+01  0.00000e+00 0.00000e+00 3.26327e+02 74.890  1.45153e+02 74.890  0.9627 
1 1 1 16 4  16 o 13 2.25084e+02 4.41219e+00 2.62940e+02 76.568  4.79273e+00  2.00678e+01  0.00000e+00 0.00000e+00 3.00783e+02 76.568  3.78429e+01 76.568  0.9755 
1 1 1 16 4  17 o 8  1.43495e+02 6.98723e+00 3.60274e+02 208.663 -1.53982e+01 -8.41742e+00 0.00000e+00 0.00000e+00 3.01197e+00 28.663  3.63286e+02 28.663  0.9711 
1 1 1 16 4  19 f 0  2.43623e+02 5.32437e+00 3.12405e+02 253.616 -9.10803e+00 -3.09785e+01 0.00000e+00 0.00000e+00 3.00556e+02 253.616 1.18493e+01 73.616  0.9844 
1 1 1 16 4  20 o 8  3.06888e+02 4.57869e+00 3.81118e+02 275.512 4.71373e+00  -4.88436e+01 0.00000e+00 0.00000e+00 3.93923e+02 275.512 1.28049e+01 275.512 0.9898 
1 1 1 16 4  21 o 19 1.33830e+02 6.68340e+00 2.25289e+02 19.209  1.34365e+01  4.68138e+00  0.00000e+00 0.00000e+00 1.03386e+02 19.209  1.21903e+02 199.209 0.9642 
1 1 1 16 4  22 o 8  1.84784e+02 5.18294e+00 2.59344e+02 278.816 3.45049e+00  -2.22481e+01 0.00000e+00 0.00000e+00 1.99895e+02 278.816 5.94491e+01 98.816  0.9775 
1 1 1 16 4  23 o 15 2.05506e+02 4.62623e+00 2.41383e+02 133.351 -1.58227e+01 1.67605e+01  0.00000e+00 0.00000e+00 2.68640e+02 133.351 2.72569e+01 133.351 0.9781 
1 1 1 16 4  24 o 12 1.23837e+02 7.02450e+00 2.08220e+02 336.166 1.07939e+01  -4.76830e+00 0.00000e+00 0.00000e+00 9.17782e+01 336.166 1.16442e+02 156.166 0.9566 
1 1 1 16 4  25 o 7  6.32078e+01 1.17400e+01 1.42842e+01 312.306 2.60161e-01  -2.85847e-01 0.00000e+00 0.00000e+00 1.60211e+01 312.306 1.73691e+00 312.306 0.1897 
1 1 1 16 4  26 o 6  2.30496e+02 4.66000e+00 3.01634e+02 153.064 -3.15177e+01 1.60146e+01  0.00000e+00 0.00000e+00 2.71263e+02 153.064 3.03704e+01 333.064 0.9858 
1 1 1 16 4  27 o 6  2.20418e+02 4.64977e+00 3.02853e+02 18.534  3.67291e+01  1.23138e+01  0.00000e+00 0.00000e+00 2.44441e+02 18.534  5.84125e+01 198.534 0.9870 
1 1 1 16 4  28 o 12 1.52229e+02 5.93415e+00 2.26402e+02 130.761 -1.19161e+01 1.38239e+01  0.00000e+00 0.00000e+00 1.45029e+02 130.761 8.13731e+01 310.761 0.9722 
1 1 1 16 4  29 o 10 1.80792e+02 5.12084e+00 2.16711e+02 308.417 1.72744e+01  -2.17820e+01 0.00000e+00 0.00000e+00 2.27691e+02 308.417 1.09801e+01 308.417 0.9818 
1 1 1 16 4  30 o 1  3.30917e+02 4.34236e+00 3.09205e+02 252.568 -2.26111e+01 -7.20095e+01 0.00000e+00 0.00000e+00 5.11661e+02 252.568 2.02456e+02 252.568 0.9934 
1 1 1 16 4  31 o 9  1.69382e+02 6.34059e+00 1.62277e+02 174.154 -1.94096e+01 1.98732e+00  0.00000e+00 0.00000e+00 2.48630e+02 174.154 8.63530e+01 174.154 0.9740 
1 1 1 16 4  32 o 7  4.09522e+01 1.22321e+01 1.56736e+02 48.972  2.73336e+00  3.14123e+00  0.00000e+00 0.00000e+00 6.82870e+01 228.972 2.25023e+02 228.972 0.8695 
1 1 1 16 4  33 o 16 4.54306e+01 1.22658e+01 2.92096e+01 308.528 5.39186e-01  -6.77160e-01 0.00000e+00 0.00000e+00 1.54355e+01 308.528 1.37740e+01 128.528 0.3968 
1 1 1 16 4  34 o 18 2.44304e+02 4.79517e+00 2.78499e+02 353.920 5.33245e+01  -5.68001e+00 0.00000e+00 0.00000e+00 3.19219e+02 353.920 4.07199e+01 353.920 0.9906 
1 1 1 16 4  35 o 18 5.23466e+01 1.13525e+01 1.25739e+02 349.517 4.43692e+00  -8.20954e-01 0.00000e+00 0.00000e+00 1.22190e+01 169.517 1.37958e+02 169.517 0.8807 
1 1 1 16 4  36 o 12 4.62700e+01 1.07155e+01 5.27933e+01 47.775  1.40176e+00  1.54459e+00  0.00000e+00 0.00000e+00 2.80102e+01 47.775  2.47831e+01 227.775 0.7114 
1 1 1 16 4  37 o 17 1.61589e+02 5.94071e+00 2.15028e+02 115.136 -1.21414e+01 2.58764e+01  0.00000e+00 0.00000e+00 1.73426e+02 115.136 4.16013e+01 295.136 0.9823 
1 1 1 16 4  38 o 13 1.83449e+02 4.72535e+00 1.83626e+02 106.449 -1.03385e+01 3.50166e+01  0.00000e+00 0.00000e+00 2.57682e+02 106.449 7.40559e+01 106.449 0.9862 
1 1 1 16 4  39 o 12 8.93173e+01 7.68394e+00 1.28945e+02 23.629  1.03264e+01  4.51780e+00  0.00000e+00 0.00000e+00 7.83320e+01 23.629  5.06128e+01 203.629 0.9546 
1 1 1 16 4  40 o 8  9.06930e+01 8.42591e+00 9.65601e+01 310.204 6.33778e+00  -7.49856e+00 0.00000e+00 0.00000e+00 1.11669e+02 310.204 1.51093e+01 310.204 0.9476 
1 1 1 16 4  41 o 9  3.97644e+01 1.07687e+01 7.22041e+01 62.321  1.48264e+00  2.82649e+00  0.00000e+00 0.00000e+00 6.83230e+00 62.321  6.53718e+01 242.321 0.8232 
1 1 1 16 4  42 o 18 4.18244e+01 1.17004e+01 6.22370e+01 102.518 -4.91785e-01 2.21494e+00  0.00000e+00 0.00000e+00 1.19553e+01 102.518 5.02817e+01 282.518 0.7373 
1 1 1 16 4  43 f 0  5.63075e+01 1.17950e+01 2.35906e+01 204.722 -1.47179e+00 -6.77620e-01 0.00000e+00 0.00000e+00 6.06970e+01 204.722 3.71064e+01 204.722 0.6245 
1 1 1 16 4  44 o 16 5.51264e+01 1.16777e+01 6.96856e+01 199.738 -4.21140e+00 -1.51105e+00 0.00000e+00 0.00000e+00 4.61042e+01 199.738 2.35814e+01 19.738  0.8796 
1 1 1 16 4  45 o 17 8.21040e+01 8.86180e+00 8.69022e+01 169.788 -9.31496e+00 1.67796e+00  0.00000e+00 0.00000e+00 9.77881e+01 169.788 1.08860e+01 169.788 0.9456 
1 1 1 16 4  46 o 11 4.91320e+01 1.08575e+01 6.79351e+01 250.383 -1.60928e+00 -4.51526e+00 0.00000e+00 0.00000e+00 3.54891e+01 250.383 3.24460e+01 70.383  0.8884 
1 1 1 16 4  47 o 11 1.22029e+02 5.81138e+00 1.19263e+02 350.538 2.39122e+01  -3.98526e+00 0.00000e+00 0.00000e+00 1.62730e+02 350.538 4.34668e+01 350.538 0.9792 
1 1 1 16 4  48 o 7  7.84892e+01 8.79806e+00 5.77145e+01 29.106  5.87517e+00  3.27092e+00  0.00000e+00 0.00000e+00 1.12438e+02 29.106  5.47231e+01 29.106  0.9223 
1 1 1 16 4  49 o 14 1.92731e+02 4.52251e+00 1.96739e+02 47.366  4.83321e+01  5.24974e+01  0.00000e+00 0.00000e+00 2.51196e+02 47.366  5.44574e+01 47.366  0.9930 
1 1 1 16 4  50 o 4  4.01709e+01 1.08550e+01 4.76361e+01 18.687  2.78829e+00  9.43060e-01  0.00000e+00 0.00000e+00 2.77980e+01 18.687  1.98380e+01 198.687 0.8057 
1 1 1 16 4  51 o 5  6.96427e+01 9.42488e+00 3.91139e+01 255.795 -1.26719e+00 -5.00623e+00 0.00000e+00 0.00000e+00 1.05856e+02 255.795 6.67417e+01 255.795 0.8971 
1 1 1 16 4  52 o 8  4.21394e+01 1.10670e+01 5.13868e+01 182.060 -3.94595e+00 -1.41956e-01 0.00000e+00 0.00000e+00 3.24823e+01 182.060 1.89044e+01 2.060   0.8615 
1 1 1 16 4  53 o 11 8.19619e+01 9.68015e+00 1.17318e+02 268.127 -6.47839e-01 -1.98118e+01 0.00000e+00 0.00000e+00 6.63577e+01 268.127 5.09606e+01 88.127  0.9744 
1 1 1 16 4  54 o 16 3.84647e+01 1.07958e+01 2.31983e+01 256.454 -4.37856e-01 -1.81741e+00 0.00000e+00 0.00000e+00 3.62479e+01 256.454 1.30495e+01 256.454 0.6751 
1 1 1 16 4  55 o 3  4.11653e+01 1.07566e+01 7.07992e+01 72.188  1.89377e+00  5.89422e+00  0.00000e+00 0.00000e+00 1.50427e+01 72.188  5.57566e+01 252.188 0.9152 
1 1 1 16 5  6  o 9  3.80352e+02 5.27561e+00 4.00931e+02 109.159 -1.65090e+01 4.75172e+01  0.00000e+00 0.00000e+00 5.76343e+02 109.159 1.75413e+02 109.159 0.9900 
1 1 1 16 5  7  o 16 1.31325e+02 6.62628e+00 1.27867e+02 1.876   5.46745e+00  1.79088e-01  0.00000e+00 0.00000e+00 1.79819e+02 1.876   5.19517e+01 1.876   0.9033 
1 1 1 16 5  8  o 18 2.15192e+02 4.61227e+00 2.21117e+02 185.025 -1.54884e+01 -1.36186e+00 0.00000e+00 0.00000e+00 3.18453e+02 185.025 9.73361e+01 185.025 0.9673 
1 1 1 16 5  9  o 18 4.30091e+02 4.30286e+00 4.21549e+02 125.854 -3.44844e+01 4.77193e+01  0.00000e+00 0.00000e+00 6.83008e+02 125.854 2.61459e+02 125.854 0.9915 
1 1 1 16 5  10 f 0  1.75906e+02 5.23181e+00 1.27485e+02 309.799 5.43146e+00  -6.51931e+00 0.00000e+00 0.00000e+00 3.00054e+02 309.799 1.72569e+02 309.799 0.9391 
1 1 1 16 5  11 o 7  1.76013e+02 5.11659e+00 8.20510e+01 242.847 -2.47343e+00 -4.82255e+00 0.00000e+00 0.00000e+00 3.28616e+02 242.847 2.46565e+02 242.847 0.9023 
1 1 1 16 5  12 o 16 2.36089e+02 4.39959e+00 3.09046e+02 60.853  1.32525e+01  2.37640e+01  0.00000e+00 0.00000e+00 2.89519e+02 60.853  1.95270e+01 240.853 0.9814 
1 1 1 16 5  13 o 14 3.15850e+02 4.05199e+00 4.55186e+02 66.772  2.01030e+01  4.68399e+01  0.00000e+00 0.00000e+00 3.51822e+02 66.772  1.03363e+02 246.772 0.9901 
1 1 1 16 5  14 o 7  1.12501e+02 7.14586e+00 1.26339e+02 130.907 -3.21204e+00 3.70722e+00  0.00000e+00 0.00000e+00 1.32062e+02 130.907 5.72370e+00 130.907 0.8911 
1 1 1 16 5  15 o 6  1.82198e+02 5.44533e+00 2.96344e+02 16.662  1.78068e+01  5.32945e+00  0.00000e+00 0.00000e+00 1.59882e+02 16.662  1.36463e+02 196.662 0.9727 
1 1 1 16 5  18 o 12 2.24495e+02 4.91318e+00 3.32616e+02 58.770  1.63812e+01  2.70170e+01  0.00000e+00 0.00000e+00 2.33646e+02 58.770  9.89702e+01 238.770 0.9840 
1 1 1 16 5  19 o 16 5.75793e+01 1.21578e+01 1.20148e+02 283.437 6.29030e-01  -2.63291e+00 0.00000e+00 0.00000e+00 4.36186e+00 103.437 1.24510e+02 103.437 0.7858 
1 1 1 16 5  20 o 18 1.91789e+02 4.91704e+00 1.64258e+02 2.694   1.49935e+01  7.05420e-01  0.00000e+00 0.00000e+00 3.09126e+02 2.694   1.44868e+02 2.694   0.9661 
1 1 1 16 5  21 f 0  5.92204e+01 1.21042e+01 1.43507e+02 256.474 -8.71467e-01 -3.62273e+00 0.00000e+00 0.00000e+00 1.48119e+01 76.474  1.58319e+02 76.474  0.8521 
1 1 1 16 5  22 o 19 1.20587e+02 6.95693e+00 1.52662e+02 321.089 6.54119e+00  -5.28010e+00 0.00000e+00 0.00000e+00 1.35426e+02 321.089 1.72362e+01 141.089 0.9385 
1 1 1 16 5  23 o 1  2.47112e+02 4.52389e+00 3.07655e+02 134.728 -2.48807e+01 2.51184e+01  0.00000e+00 0.00000e+00 3.11242e+02 134.728 3.58702e+00 134.728 0.9858 
1 1 1 16 5  24 o 4  2.36006e+02 4.61711e+00 3.46812e+02 245.835 -1.73480e+01 -3.86652e+01 0.00000e+00 0.00000e+00 2.44494e+02 245.835 1.02318e+02 65.836  0.9881 
1 1 1 16 5  25 o 8  5.93128e+01 1.26219e+01 1.47813e+02 85.283  3.37092e-01  4.08489e+00  0.00000e+00 0.00000e+00 1.76663e+01 265.282 1.65479e+02 265.282 0.8672 
1 1 1 16 5  26 o 19 3.17382e+02 4.26264e+00 2.97712e+02 257.371 -1.20381e+01 -5.37275e+01 0.00000e+00 0.00000e+00 4.96258e+02 257.371 1.98546e+02 257.371 0.9909 
1 1 1 16 5  27 o 8  2.07473e+02 4.83180e+00 2.77034e+02 305.700 1.79423e+01  -2.49693e+01 0.00000e+00 0.00000e+00 2.36998e+02 305.700 4.00358e+01 125.700 0.9836 
1 1 1 16 5  28 f 0  1.21927e+02 7.15305e+00 1.43349e+02 63.566  5.41618e+00  1.08946e+01  0.00000e+00 0.00000e+00 1.50168e+02 63.566  6.81910e+00 63.566  0.9580 
1 1 1 16 5  29 o 4  1.86637e+02 5.33346e+00 1.98798e+02 282.263 5.78282e+00  -2.66040e+01 0.00000e+00 0.00000e+00 2.60379e+02 282.263 6.15807e+01 282.263 0.9815 
1 1 1 16 5  30 o 14 2.47921e+02 4.72550e+00 1.60253e+02 160.251 -2.70829e+01 9.72300e+00  0.00000e+00 0.00000e+00 4.48774e+02 160.251 2.88522e+02 160.251 0.9825 
1 1 1 16 5  31 o 16 4.28880e+01 1.16489e+01 1.28598e+02 297.285 1.66544e+00  -3.22875e+00 0.00000e+00 0.00000e+00 3.79264e+01 117.285 1.66524e+02 117.285 0.8478 
1 1 1 16 5  32 o 10 7.03646e+01 1.05168e+01 9.42850e+01 329.717 3.87946e+00  -2.26545e+00 0.00000e+00 0.00000e+00 5.97336e+01 329.717 3.45515e+01 149.717 0.8801 
1 1 1 16 5  33 o 19 6.60664e+01 1.26807e+01 7.30978e+01 228.472 -2.23575e+00 -2.52454e+00 0.00000e+00 0.00000e+00 6.35756e+01 228.472 9.52217e+00 48.472  0.8341 
1 1 1 16 5  34 o 5  1.76734e+02 5.60596e+00 2.23060e+02 40.445  2.25559e+01  1.92273e+01  0.00000e+00 0.00000e+00 2.06550e+02 40.445  1.65100e+01 220.445 0.9830 
1 1 1 16 5  35 o 2  1.63560e+02 5.89739e+00 1.86195e+02 102.644 -6.25557e+00 2.78843e+01  0.00000e+00 0.00000e+00 2.09952e+02 102.644 2.37569e+01 102.644 0.9823 
1 1 1 16 5  36 o 15 1.04768e+02 8.29744e+00 1.18337e+02 79.026  1.89134e+00  9.75367e+00  0.00000e+00 0.00000e+00 1.25860e+02 79.026  7.52289e+00 79.026  0.9483 
1 1 1 16 5  37 o 7  1.53445e+02 5.63959e+00 1.82516e+02 321.327 2.24912e+01  -1.80014e+01 0.00000e+00 0.00000e+00 1.86884e+02 321.327 4.36756e+00 321.327 0.9825 
1 1 1 16 5  38 o 19 8.51864e+01 8.47248e+00 1.18015e+02 223.316 -7.35230e+00 -6.93245e+00 0.00000e+00 0.00000e+00 7.94635e+01 223.316 3.85511e+01 43.316  0.9492 
1 1 1 16 5  39 o 9  3.61741e+01 1.07102e+01 5.82960e+01 324.315 1.82568e+00  -1.31116e+00 0.00000e+00 0.00000e+00 6.38561e+00 324.315 5.19104e+01 144.315 0.7345 
1 1 1 16 5  40 o 17 2.06997e+02 4.61382e+00 2.38992e+02 30.001  5.50623e+01  3.17920e+01  0.00000e+00 0.00000e+00 2.59219e+02 30.001  2.02268e+01 30.001  0.9921 
1 1 1 16 5  42 o 18 1.07694e+02 6.47336e+00 1.28584e+02 177.125 -1.92267e+01 9.65469e-01  0.00000e+00 0.00000e+00 1.24011e+02 177.125 4.57279e+00 357.125 0.9737 
1 1 1 16 5  43 o 11 1.34828e+02 5.66976e+00 1.21815e+02 57.892  1.20125e+01  1.91439e+01  0.00000e+00 0.00000e+00 1.94541e+02 57.892  7.27253e+01 57.892  0.9776 
1 1 1 16 5  44 o 6  1.68562e+02 5.43839e+00 1.44436e+02 185.139 -3.52299e+01 -3.16838e+00 0.00000e+00 0.00000e+00 2.52872e+02 185.139 1.08436e+02 185.139 0.9858 
1 1 1 16 5  45 o 5  1.18969e+02 6.28949e+00 1.26418e+02 85.491  1.73493e+00  2.19981e+01  0.00000e+00 0.00000e+00 1.50460e+02 85.491  2.40420e+01 85.491  0.9771 
1 1 1 16 5  46 o 11 1.05588e+02 6.74161e+00 6.75647e+01 4.529   1.15335e+01  9.13579e-01  0.00000e+00 0.00000e+00 1.71869e+02 4.529   1.04304e+02 4.529   0.9558 
1 1 1 16 5  47 o 17 3.89985e+01 1.08672e+01 4.74722e+01 57.037  1.40903e+00  2.17279e+00  0.00000e+00 0.00000e+00 2.38951e+01 57.037  2.35772e+01 237.037 0.7744 
1 1 1 16 5  48 o 2  7.65774e+01 8.78201e+00 8.98863e+01 289.138 3.82498e+00  -1.10225e+01 0.00000e+00 0.00000e+00 8.24281e+01 289.138 7.45812e+00 109.138 0.9561 
1 1 1 16 5  49 o 4  3.08961e+01 9.70727e+00 3.09635e+01 130.944 -1.01700e+00 1.17225e+00  0.00000e+00 0.00000e+00 1.31119e+01 130.944 1.78516e+01 310.944 0.6087 
1 1 1 16 5  50 o 16 9.74340e+01 6.87781e+00 9.91371e+01 302.773 1.00804e+01  -1.56578e+01 0.00000e+00 0.00000e+00 1.22045e+02 302.773 2.29079e+01 302.773 0.9728 
1 1 1 16 5  51 o 17 7.82624e+01 8.33401e+00 9.62911e+01 266.363 -9.91603e-01 -1.56019e+01 0.00000e+00 0.00000e+00 7.96340e+01 266.363 1.66571e+01 86.363  0.9675 
1 1 1 16 5  52 o 18 7.90339e+01 8.27548e+00 6.83434e+01 83.892  1.26888e+00  1.18570e+01  0.00000e+00 0.00000e+00 1.06634e+02 83.892  3.82903e+01 83.892  0.9571 
1 1 1 16 5  53 o 6  3.76618e+01 1.01263e+01 2.90730e+01 341.173 2.26731e+00  -7.73049e-01 0.00000e+00 0.00000e+00 3.62420e+01 341.173 7.16903e+00 341.173 0.7531 
1 1 1 16 5  54 o 19 5.63943e+01 1.04871e+01 2.59876e+01 224.573 -2.29683e+00 -2.26286e+00 0.00000e+00 0.00000e+00 8.06913e+01 224.573 5.47037e+01 224.573 0.8253 
1 1 1 16 5  55 o 13 9.22512e+01 1.02869e+01 1.31853e+02 40.942  2.21261e+01  1.91946e+01  0.00000e+00 0.00000e+00 7.49812e+01 40.942  5.68717e+01 220.942 0.9828 
1 1 1 16 6  0  o 12 1.05795e+02 1.04350e+01 1.12776e+02 180.000 -1.92390e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.51150e+02 180.000 3.83742e+01 180.000 0.9582 
1 1 1 16 6  1  o 8  7.44065e+01 1.02753e+01 1.08829e+02 177.894 -2.55381e+00 9.39067e-02  0.00000e+00 0.00000e+00 4.04984e+01 177.894 6.83303e+01 357.894 0.7709 
1 1 1 16 6  2  f 0  3.38043e+02 3.94283e+00 3.88394e+02 90.929  -6.96847e-01 4.29651e+01  0.00000e+00 0.00000e+00 4.81224e+02 90.929  9.28295e+01 90.929  0.9883 
1 1 1 16 6  3  o 5  2.46094e+02 4.21417e+00 2.98302e+02 119.818 -1.19099e+01 2.07804e+01  0.00000e+00 0.00000e+00 3.28620e+02 119.818 3.03186e+01 119.818 0.9789 
1 1 1 16 6  4  o 5  5.65750e+02 4.61367e+00 6.76652e+02 122.879 -6.74986e+01 1.04420e+02  0.00000e+00 0.00000e+00 7.89287e+02 122.879 1.12635e+02 122.879 0.9960 
1 1 1 16 6  5  o 3  4.31450e+02 4.03240e+00 4.54627e+02 108.220 -1.98841e+01 6.04069e+01  0.00000e+00 0.00000e+00 6.58551e+02 108.220 2.03923e+02 108.220 0.9921 
1 1 1 16 6  6  o 9  1.18370e+02 6.63545e+00 2.51323e+02 202.127 -1.03530e+01 -4.20960e+00 0.00000e+00 0.00000e+00 4.22602e+01 202.127 2.09062e+02 22.127  0.9542 
1 1 1 16 6  7  f 0  1.57025e+02 5.64730e+00 1.33737e+02 338.499 7.34405e+00  -2.89298e+00 0.00000e+00 0.00000e+00 2.47409e+02 338.499 1.13672e+02 338.499 0.9343 
1 1 1 16 6  8  o 4  2.04915e+02 4.56350e+00 2.78592e+02 13.609  2.08373e+01  5.04448e+00  0.00000e+00 0.00000e+00 2.40857e+02 13.609  3.77352e+01 193.609 0.9764 
1 1 1 16 6  9  o 2  3.36965e+02 4.07533e+00 4.03983e+02 337.739 4.70749e+01  -1.92691e+01 0.00000e+00 0.00000e+00 4.61583e+02 337.739 5.75997e+01 337.739 0.9901 
1 1 1 16 6  10 o 3  3.90064e+01 1.12756e+01 7.03719e+01 124.228 -5.22457e-01 7.67964e-01  0.00000e+00 0.00000e+00 2.78433e+01 304.228 9.82152e+01 304.228 0.4206 
1 1 1 16 6  11 o 5  1.54896e+02 5.34323e+00 1.28967e+02 154.623 -6.32732e+00 3.00133e+00  0.00000e+00 0.00000e+00 2.42335e+02 154.623 1.13368e+02 154.623 0.9256 
1 1 1 16 6  12 o 14 2.80168e+02 4.78487e+00 2.90164e+02 91.672  -8.25543e-01 2.82869e+01  0.00000e+00 0.00000e+00 4.21791e+02 91.672  1.31627e+02 91.672  0.9822 
1 1 1 16 6  15 o 4  2.41848e+02 1.40273e+01 3.49906e+02 72.954  8.93750e+00  2.91504e+01  0.00000e+00 0.00000e+00 2.63333e+02 72.954  8.65731e+01 252.954 0.9835 
1 1 1 16 6  16 o 9  2.99171e+02 4.10444e+00 1.96392e+02 235.270 -1.42602e+01 -2.05715e+01 0.00000e+00 0.00000e+00 5.58375e+02 235.270 3.61983e+02 235.270 0.9798 
1 1 1 16 6  17 o 19 1.49955e+02 5.30403e+00 7.53958e+01 128.849 -2.96482e+00 3.68104e+00  0.00000e+00 0.00000e+00 2.66453e+02 128.849 1.91057e+02 128.849 0.8866 
1 1 1 16 6  18 o 9  2.14368e+02 4.35547e+00 1.89228e+02 264.188 -1.97479e+00 -1.94021e+01 0.00000e+00 0.00000e+00 3.46815e+02 264.188 1.57588e+02 264.188 0.9740 
1 1 1 16 6  19 o 4  3.23990e+02 3.96892e+00 4.78988e+02 241.544 -3.51539e+01 -6.48651e+01 0.00000e+00 0.00000e+00 3.45815e+02 241.544 1.33173e+02 61.544  0.9932 
1 1 1 16 6  20 o 10 2.05544e+02 4.38568e+00 1.97874e+02 20.256  1.78818e+01  6.59924e+00  0.00000e+00 0.00000e+00 3.14102e+02 20.256  1.16228e+02 20.256  0.9734 
1 1 1 16 6  21 o 13 2.67735e+02 3.92029e+00 2.85464e+02 182.313 -3.59917e+01 -1.45372e+00 0.00000e+00 0.00000e+00 3.88868e+02 182.313 1.03404e+02 182.313 0.9860 
1 1 1 16 6  22 o 9  7.61907e+01 9.21394e+00 1.32661e+02 160.031 -4.23270e+00 1.53801e+00  0.00000e+00 0.00000e+00 3.83702e+01 160.031 9.42910e+01 340.031 0.8804 
1 1 1 16 6  23 o 8  2.09025e+02 4.29836e+00 2.12049e+02 186.210 -2.27594e+01 -2.47641e+00 0.00000e+00 0.00000e+00 3.08104e+02 186.210 9.60547e+01 186.210 0.9779 
1 1 1 16 6  24 o 5  2.57303e+02 4.43078e+00 2.99050e+02 187.619 -4.50113e+01 -6.02101e+00 0.00000e+00 0.00000e+00 3.47144e+02 187.619 4.80946e+01 187.619 0.9889 
1 1 1 16 6  25 o 7  3.44984e+01 1.07853e+01 7.96032e+01 108.000 -4.59943e-01 1.41557e+00  0.00000e+00 0.00000e+00 2.77377e+01 288.000 1.07341e+02 288.000 0.5933 
1 1 1 16 6  26 o 10 2.74052e+02 5.00376e+00 3.01238e+02 94.115  -3.15875e+00 4.39032e+01  0.00000e+00 0.00000e+00 3.83813e+02 94.115  8.25747e+01 94.115  0.9886 
1 1 1 16 6  27 o 16 2.01758e+02 5.40366e+00 2.96596e+02 33.839  3.52400e+01  2.36258e+01  0.00000e+00 0.00000e+00 2.06369e+02 33.839  9.02269e+01 213.839 0.9881 
1 1 1 16 6  28 o 2  1.34780e+02 6.07997e+00 1.86799e+02 321.743 1.43869e+01  -1.13445e+01 0.00000e+00 0.00000e+00 1.43031e+02 321.743 4.37681e+01 141.743 0.9723 
1 1 1 16 6  29 o 6  1.90498e+02 4.91731e+00 1.78367e+02 307.658 1.53415e+01  -1.98800e+01 0.00000e+00 0.00000e+00 2.90290e+02 307.658 1.11923e+02 307.658 0.9799 
1 1 1 16 6  30 o 6  3.60729e+02 4.38619e+00 4.08221e+02 330.676 9.36100e+01  -5.25832e+01 0.00000e+00 0.00000e+00 4.90932e+02 330.676 8.27106e+01 330.676 0.9953 
1 1 1 16 6  31 o 6  1.06869e+02 7.25640e+00 1.17917e+02 33.241  7.51430e+00  4.92497e+00  0.00000e+00 0.00000e+00 1.33686e+02 33.241  1.57692e+01 33.241  0.9426 
1 1 1 16 6  32 o 17 6.56217e+01 1.07247e+01 9.41940e+01 161.083 -4.25875e+00 1.45954e+00  0.00000e+00 0.00000e+00 4.97130e+01 161.083 4.44810e+01 341.083 0.8804 
1 1 1 16 6  33 o 4  4.90958e+01 1.19521e+01 2.62451e+01 171.651 -8.70356e-01 1.27735e-01  0.00000e+00 0.00000e+00 2.27963e+01 171.651 3.44874e+00 351.651 0.4021 
1 1 1 16 6  34 o 7  7.69791e+01 1.04474e+01 7.39242e+01 207.580 -4.37011e+00 -2.28266e+00 0.00000e+00 0.00000e+00 9.60958e+01 207.580 2.21716e+01 207.580 0.8917 
1 1 1 16 6  35 o 4  7.09419e+01 1.09624e+01 3.74738e+01 209.772 -1.76595e+00 -1.01024e+00 0.00000e+00 0.00000e+00 8.57444e+01 209.772 4.82706e+01 209.772 0.7034 
1 1 1 16 6  36 o 18 1.72400e+02 6.04679e+00 2.47985e+02 17.535  4.18668e+01  1.32285e+01  0.00000e+00 0.00000e+00 1.71580e+02 17.535  7.64050e+01 197.535 0.9885 
1 1 1 16 6  37 o 16 1.19618e+02 7.68411e+00 1.25699e+02 331.890 1.36058e+01  -7.26773e+00 0.00000e+00 0.00000e+00 1.58179e+02 331.890 3.24798e+01 331.890 0.9670 
1 1 1 16 6  38 o 6  7.27322e+01 1.13590e+01 4.99176e+01 201.664 -3.54544e+00 -1.40835e+00 0.00000e+00 0.00000e+00 1.02382e+02 201.664 5.24640e+01 201.664 0.8560 
1 1 1 16 6  39 f 0  1.53429e+02 4.99663e+00 1.50159e+02 345.384 2.86600e+01  -7.47367e+00 0.00000e+00 0.00000e+00 2.17544e+02 345.384 6.73849e+01 345.384 0.9830 
1 1 1 16 6  41 o 14 4.67894e+01 1.08211e+01 1.27847e+02 333.831 6.66386e+00  -3.27452e+00 0.00000e+00 0.00000e+00 2.24863e+01 153.831 1.50333e+02 153.831 0.9300 
1 1 1 16 6  42 o 5  3.88606e+01 1.07295e+01 7.82992e+01 294.180 1.56906e+00  -3.49463e+00 0.00000e+00 0.00000e+00 2.02142e+00 294.180 7.62777e+01 114.180 0.8567 
1 1 1 16 6  43 o 7  2.05121e+02 4.54106e+00 2.44444e+02 133.970 -5.17833e+01 5.36796e+01  0.00000e+00 0.00000e+00 2.45317e+02 133.970 8.72745e-01 133.970 0.9933 
1 1 1 16 6  44 o 12 4.13089e+01 1.08918e+01 3.49687e+01 157.436 -1.73041e+00 7.19039e-01  0.00000e+00 0.00000e+00 3.18999e+01 157.436 3.06887e+00 337.436 0.6759 
1 1 1 16 6  45 o 19 3.50337e+01 1.03188e+01 4.95465e+01 6.028   2.52173e+00  2.66303e-01  0.00000e+00 0.00000e+00 1.47111e+01 6.028   3.48354e+01 186.028 0.7688 
1 1 1 16 6  46 o 7  4.04431e+01 1.08630e+01 5.92649e+01 247.526 -1.29054e+00 -3.11960e+00 0.00000e+00 0.00000e+00 2.09210e+01 247.526 3.83438e+01 67.526  0.8344 
1 1 1 16 6  47 o 3  7.49437e+01 8.80575e+00 6.63840e+01 32.706  7.14447e+00  4.58778e+00  0.00000e+00 0.00000e+00 1.00194e+02 32.706  3.38100e+01 32.706  0.9391 
1 1 1 16 6  48 o 10 1.39509e+02 5.58891e+00 1.26480e+02 101.864 -6.66637e+00 3.17334e+01  0.00000e+00 0.00000e+00 1.97248e+02 101.864 7.07686e+01 101.864 0.9845 
1 1 1 16 6  49 o 3  9.78836e+01 9.46371e+00 8.80065e+01 206.457 -1.36832e+01 -6.80940e+00 0.00000e+00 0.00000e+00 1.34105e+02 206.457 4.60982e+01 206.457 0.9667 
1 1 1 16 6  50 o 11 1.08269e+02 6.85730e+00 9.61498e+01 128.503 -1.35355e+01 1.70150e+01  0.00000e+00 0.00000e+00 1.51014e+02 128.503 5.48640e+01 128.503 0.9767 
1 1 1 16 6  51 o 17 9.09641e+01 7.93320e+00 7.91918e+01 291.300 5.91117e+00  -1.51610e+01 0.00000e+00 0.00000e+00 1.25881e+02 291.300 4.66888e+01 291.300 0.9688 
1 1 1 16 6  52 o 18 3.11498e+01 9.93193e+00 3.78293e+01 275.250 2.19740e-01  -2.39157e+00 0.00000e+00 0.00000e+00 1.65750e+01 275.250 2.12542e+01 95.250  0.7539 
1 1 1 16 6  53 o 7  2.67061e+01 8.99108e+00 2.66185e+01 198.473 -1.61405e+00 -5.39214e-01 0.00000e+00 0.00000e+00 1.29361e+01 198.473 1.36825e+01 18.473  0.6422 
1 1 1 16 6  54 o 13 3.95331e+01 9.96057e+00 5.65824e+01 102.346 -1.05905e+00 4.83855e+00  0.00000e+00 0.00000e+00 2.43979e+01 102.346 3.21846e+01 282.346 0.8923 
1 1 1 16 7  0  o 5  3.61673e+01 2.00776e+01 1.53767e+02 0.000   9.56199e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.37172e+01 180.000 2.37484e+02 180.000 0.7426 
1 1 1 16 7  1  o 7  1.56273e+02 5.48559e+00 1.10635e+02 187.037 -6.38944e+00 -7.88764e-01 0.00000e+00 0.00000e+00 2.63796e+02 187.037 1.53161e+02 187.037 0.9187 
1 1 1 16 7  2  o 15 3.61733e+02 3.96312e+00 3.81483e+02 287.540 1.55752e+01  -4.92787e+01 0.00000e+00 0.00000e+00 5.52669e+02 287.540 1.71186e+02 287.540 0.9903 
1 1 1 16 7  3  o 10 1.54298e+02 5.49328e+00 1.93197e+02 105.690 -2.87091e+00 1.02201e+01  0.00000e+00 0.00000e+00 1.89648e+02 105.690 3.54896e+00 285.690 0.9517 
1 1 1 16 7  4  o 12 1.83613e+02 5.10577e+00 1.99312e+02 196.570 -1.24781e+01 -3.71289e+00 0.00000e+00 0.00000e+00 2.60501e+02 196.570 6.11893e+01 196.570 0.9608 
1 1 1 16 7  5  o 16 1.68615e+02 5.19174e+00 3.21434e+02 348.997 1.88469e+01  -3.66444e+00 0.00000e+00 0.00000e+00 1.06282e+02 348.997 2.15152e+02 168.997 0.9736 
1 1 1 16 7  6  o 7  3.21794e+02 3.99169e+00 3.56025e+02 102.237 -8.60605e+00 3.96815e+01  0.00000e+00 0.00000e+00 4.71604e+02 102.237 1.15579e+02 102.237 0.9876 
1 1 1 16 7  7  o 5  1.07928e+02 7.70087e+00 1.14592e+02 342.550 4.07765e+00  -1.28178e+00 0.00000e+00 0.00000e+00 1.30725e+02 342.550 1.61332e+01 342.550 0.8733 
1 1 1 16 7  8  o 16 2.70378e+02 4.31437e+00 3.00470e+02 164.557 -2.73960e+01 7.56826e+00  0.00000e+00 0.00000e+00 3.90312e+02 164.557 8.98415e+01 164.557 0.9822 
1 1 1 16 7  9  o 3  4.31586e+02 2.24846e+01 4.18240e+02 204.207 -5.29743e+01 -2.38149e+01 0.00000e+00 0.00000e+00 6.93814e+02 204.207 2.75573e+02 204.207 0.9914 
1 1 1 16 7  12 o 4  3.24296e+02 4.96422e+00 4.74062e+02 24.150  6.04449e+01  2.71018e+01  0.00000e+00 0.00000e+00 3.60173e+02 24.150  1.13889e+02 204.150 0.9924 
1 1 1 16 7  13 o 10 3.28879e+02 4.08079e+00 3.40822e+02 34.032  3.98139e+01  2.68875e+01  0.00000e+00 0.00000e+00 5.01833e+02 34.032  1.61011e+02 34.032  0.9895 
1 1 1 16 7  14 o 4  8.41593e+01 8.57314e+00 1.52071e+02 238.838 -2.72401e+00 -4.50455e+00 0.00000e+00 0.00000e+00 4.36418e+01 238.838 1.08429e+02 58.838  0.8992 
1 1 1 16 7  15 o 1  2.05287e+02 4.45862e+00 2.51660e+02 315.223 1.78016e+01  -1.76636e+01 0.00000e+00 0.00000e+00 2.67924e+02 315.223 1.62633e+01 315.223 0.9799 
1 1 1 16 7  16 o 4  4.45288e+02 4.17141e+00 3.85672e+02 114.146 -3.37780e+01 7.53477e+01  0.00000e+00 0.00000e+00 7.56014e+02 114.146 3.70342e+02 114.146 0.9939 
1 1 1 16 7  17 o 14 1.11851e+02 6.63467e+00 1.58229e+02 212.206 -7.01656e+00 -4.41954e+00 0.00000e+00 0.00000e+00 1.11916e+02 212.206 4.63132e+01 32.206  0.9376 
1 1 1 16 7  18 o 16 1.49741e+02 5.29923e+00 1.00472e+02 165.466 -6.80116e+00 1.76319e+00  0.00000e+00 0.00000e+00 2.56098e+02 165.466 1.55626e+02 165.466 0.9258 
1 1 1 16 7  19 o 15 2.00529e+02 4.51172e+00 2.23971e+02 160.671 -1.99804e+01 7.00845e+00  0.00000e+00 0.00000e+00 2.78663e+02 160.671 5.46920e+01 160.671 0.9761 
1 1 1 16 7  20 o 8  2.29435e+02 4.31938e+00 1.09561e+02 19.966  1.09910e+01  3.99302e+00  0.00000e+00 0.00000e+00 4.52883e+02 19.966  3.43322e+02 19.966  0.9562 
1 1 1 16 7  21 o 4  5.40648e+01 1.17930e+01 1.32249e+02 162.724 -3.28497e+00 1.02166e+00  0.00000e+00 0.00000e+00 1.63175e+01 342.724 1.48567e+02 342.724 0.8379 
1 1 1 16 7  22 o 3  2.16267e+02 4.61817e+00 2.42331e+02 113.691 -1.25053e+01 2.85006e+01  0.00000e+00 0.00000e+00 3.01142e+02 113.691 5.88107e+01 113.691 0.9838 
1 1 1 16 7  23 o 6  1.26472e+02 6.17615e+00 1.28774e+02 124.087 -5.27317e+00 7.79222e+00  0.00000e+00 0.00000e+00 1.76004e+02 124.087 4.72306e+01 124.087 0.9453 
1 1 1 16 7  24 o 13 7.02015e+01 1.01284e+01 5.92205e+01 33.656  1.77007e+00  1.17851e+00  0.00000e+00 0.00000e+00 6.89299e+01 33.656  9.70944e+00 33.656  0.7175 
1 1 1 16 7  25 o 17 1.90003e+02 4.95215e+00 2.84669e+02 107.084 -1.14389e+01 3.72204e+01  0.00000e+00 0.00000e+00 1.91486e+02 107.084 9.31832e+01 287.084 0.9871 
1 1 1 16 7  26 f 0  2.23244e+02 4.63027e+00 2.38663e+02 341.548 3.59044e+01  -1.19803e+01 0.00000e+00 0.00000e+00 3.19356e+02 341.548 8.06924e+01 341.548 0.9867 
1 1 1 16 7  27 o 8  1.16977e+02 6.59535e+00 1.73927e+02 79.736  2.61086e+00  1.44189e+01  0.00000e+00 0.00000e+00 1.11458e+02 79.736  6.24684e+01 259.737 0.9653 
1 1 1 16 7  28 o 10 1.62215e+02 5.84097e+00 2.05320e+02 158.763 -2.26540e+01 8.80373e+00  0.00000e+00 0.00000e+00 1.95202e+02 158.763 1.01175e+01 338.763 0.9792 
1 1 1 16 7  29 o 17 5.62764e+01 1.24435e+01 5.90396e+01 41.288  1.65308e+00  1.45167e+00  0.00000e+00 0.00000e+00 4.40151e+01 41.288  1.50244e+01 221.288 0.7280 
1 1 1 16 7  30 o 15 1.84687e+02 4.82515e+00 2.10031e+02 182.751 -3.13026e+01 -1.50433e+00 0.00000e+00 0.00000e+00 2.45880e+02 182.751 3.58487e+01 182.751 0.9839 
1 1 1 16 7  31 o 2  3.94717e+01 1.11600e+01 3.13609e+01 233.141 -5.23061e-01 -6.97692e-01 0.00000e+00 0.00000e+00 8.06852e+00 233.141 2.32924e+01 53.141  0.3992 
1 1 1 16 7  32 o 14 1.41659e+02 5.09018e+00 1.69008e+02 329.910 2.00671e+01  -1.16280e+01 0.00000e+00 0.00000e+00 1.76801e+02 329.910 7.79347e+00 329.910 0.9782 
1 1 1 16 7  33 o 16 8.12336e+01 7.78563e+00 7.55768e+01 346.279 4.92766e+00  -1.20315e+00 0.00000e+00 0.00000e+00 1.05358e+02 346.279 2.97813e+01 346.279 0.8950 
1 1 1 16 7  34 o 3  2.04588e+02 4.52831e+00 1.83848e+02 12.151  3.93280e+01  8.46783e+00  0.00000e+00 0.00000e+00 3.17460e+02 12.151  1.33612e+02 12.151  0.9875 
1 1 1 16 7  35 o 7  1.38797e+02 5.24164e+00 9.87102e+01 359.029 1.49469e+01  -2.53246e-01 0.00000e+00 0.00000e+00 2.32980e+02 359.029 1.34269e+02 359.029 0.9660 
1 1 1 16 7  36 o 7  5.95348e+01 9.62645e+00 8.42936e+01 275.332 4.44515e-01  -4.76318e+00 0.00000e+00 0.00000e+00 4.61160e+01 275.332 3.81776e+01 95.332  0.8881 
1 1 1 16 7  37 o 2  1.20918e+02 5.55819e+00 1.10805e+02 293.659 6.47992e+00  -1.47901e+01 0.00000e+00 0.00000e+00 1.77135e+02 293.659 6.63294e+01 293.659 0.9685 
1 1 1 16 7  38 o 12 3.60199e+01 1.00644e+01 2.90177e+01 6.064   1.19585e+00  1.27044e-01  0.00000e+00 0.00000e+00 1.63185e+01 6.064   1.26992e+01 186.064 0.5136 
1 1 1 16 7  40 o 3  9.68988e+01 7.58309e+00 1.26590e+02 244.924 -7.11166e+00 -1.51982e+01 0.00000e+00 0.00000e+00 1.02150e+02 244.924 2.44394e+01 64.924  0.9697 
1 1 1 16 7  41 o 12 5.87612e+01 1.08753e+01 4.70187e+01 264.469 -3.34693e-01 -3.45605e+00 0.00000e+00 0.00000e+00 7.26660e+01 264.469 2.56472e+01 264.469 0.8396 
1 1 1 16 7  42 o 6  8.73168e+01 7.27278e+00 1.12300e+02 302.372 7.41613e+00  -1.16986e+01 0.00000e+00 0.00000e+00 9.09886e+01 302.372 2.13114e+01 122.372 0.9632 
1 1 1 16 7  43 o 13 4.75880e+01 1.12652e+01 5.05775e+01 243.607 -1.37531e+00 -2.77136e+00 0.00000e+00 0.00000e+00 4.30197e+01 243.607 7.55778e+00 63.607  0.8167 
1 1 1 16 7  44 o 18 8.61391e+01 7.31266e+00 7.86076e+01 195.340 -1.05640e+01 -2.89788e+00 0.00000e+00 0.00000e+00 1.18391e+02 195.340 3.97835e+01 195.340 0.9532 
1 1 1 16 7  45 o 14 6.45768e+01 1.00022e+01 9.05042e+01 41.195  6.49750e+00  5.68711e+00  0.00000e+00 0.00000e+00 5.46056e+01 41.195  3.58987e+01 221.195 0.9402 
1 1 1 16 7  46 o 11 1.03652e+02 7.25058e+00 9.28395e+01 47.920  1.16586e+01  1.29117e+01  0.00000e+00 0.00000e+00 1.46726e+02 47.920  5.38863e+01 47.920  0.9708 
1 1 1 16 7  47 o 8  7.93553e+01 8.78376e+00 6.95485e+01 312.666 6.28751e+00  -6.82178e+00 0.00000e+00 0.00000e+00 1.08166e+02 312.666 3.86177e+01 312.666 0.9445 
1 1 1 16 7  48 o 14 8.52622e+01 8.50293e+00 1.00867e+02 81.815  2.26682e+00  1.57597e+01  0.00000e+00 0.00000e+00 9.40487e+01 81.815  6.81832e+00 261.815 0.9681 
1 1 1 16 7  49 o 4  9.38256e+01 7.50888e+00 7.36828e+01 239.626 -7.18536e+00 -1.22601e+01 0.00000e+00 0.00000e+00 1.39048e+02 239.626 6.53655e+01 239.626 0.9641 
1 1 1 16 7  50 o 9  8.84473e+01 8.62707e+00 9.89476e+01 155.519 -1.75717e+01 8.00100e+00  0.00000e+00 0.00000e+00 1.02723e+02 155.519 3.77561e+00 155.519 0.9737 
1 1 1 16 7  51 f 0  8.04450e+01 8.86600e+00 9.92192e+01 125.182 -9.90082e+00 1.40447e+01  0.00000e+00 0.00000e+00 8.27899e+01 125.182 1.64293e+01 305.182 0.9705 
1 1 1 16 7  52 o 16 7.78408e+01 1.01518e+01 1.02360e+02 109.737 -6.10196e+00 1.70072e+01  0.00000e+00 0.00000e+00 7.32413e+01 109.737 2.91192e+01 289.737 0.9719 
1 1 1 16 7  53 o 3  6.07996e+01 1.08711e+01 8.46137e+01 348.795 1.07176e+01  -2.12312e+00 0.00000e+00 0.00000e+00 4.92772e+01 348.795 3.53365e+01 168.795 0.9531 
1 1 1 16 8  7  o 11 2.64401e+02 5.15750e+00 3.50963e+02 243.249 -1.80621e+01 -3.58337e+01 0.00000e+00 0.00000e+00 3.30022e+02 243.249 2.09413e+01 63.249  0.9875 
1 1 1 16 8  8  o 18 1.48594e+02 6.27545e+00 1.75356e+02 211.579 -9.47582e+00 -5.82481e+00 0.00000e+00 0.00000e+00 1.94125e+02 211.579 1.87693e+01 211.579 0.9539 
1 1 1 16 8  9  o 1  7.83535e+01 1.03690e+01 1.04873e+02 102.536 -7.28956e-01 3.27843e+00  0.00000e+00 0.00000e+00 6.52041e+01 102.536 3.96687e+01 282.536 0.8334 
1 1 1 16 8  10 o 4  2.19851e+02 4.52669e+00 2.01223e+02 275.284 1.73328e+00  -1.87411e+01 0.00000e+00 0.00000e+00 3.55537e+02 275.284 1.54314e+02 275.284 0.9731 
1 1 1 16 8  11 o 6  1.07966e+02 7.65666e+00 9.56301e+01 3.730   4.92046e+00  3.20743e-01  0.00000e+00 0.00000e+00 1.54715e+02 3.730   5.90846e+01 3.730   0.8918 
1 1 1 16 8  12 o 19 8.33914e+01 8.96504e+00 1.32067e+02 4.631   5.13209e+00  4.15672e-01  0.00000e+00 0.00000e+00 6.21807e+01 4.631   6.98866e+01 184.631 0.8967 
1 1 1 16 8  13 o 8  1.80907e+02 4.74030e+00 2.20947e+02 285.270 5.05591e+00  -1.85191e+01 0.00000e+00 0.00000e+00 2.36079e+02 285.270 1.51313e+01 285.270 0.9736 
1 1 1 16 8  14 f 0  7.29260e+01 9.92618e+00 5.15820e+01 104.349 -4.24400e-01 1.65908e+00  0.00000e+00 0.00000e+00 7.02248e+01 104.349 1.86428e+01 104.349 0.6444 
1 1 1 16 8  15 o 3  3.09078e+02 3.92677e+00 3.57582e+02 26.933  4.66623e+01  2.37069e+01  0.00000e+00 0.00000e+00 4.34804e+02 26.933  7.72215e+01 26.933  0.9904 
1 1 1 16 8  16 o 3  1.14043e+02 6.43913e+00 1.77083e+02 110.689 -3.34898e+00 8.86796e+00  0.00000e+00 0.00000e+00 1.01717e+02 110.689 7.53653e+01 290.689 0.9457 
1 1 1 16 8  17 o 14 2.61422e+02 4.03865e+00 2.84816e+02 345.401 3.39285e+01  -8.83685e+00 0.00000e+00 0.00000e+00 3.80332e+02 345.401 9.55161e+01 345.401 0.9856 
1 1 1 16 8  18 o 10 2.73229e+02 4.26227e+00 3.23800e+02 274.299 3.49143e+00  -4.64399e+01 0.00000e+00 0.00000e+00 3.72854e+02 274.299 4.90539e+01 274.299 0.9892 
1 1 1 16 8  19 o 5  1.60247e+02 5.74942e+00 1.88207e+02 275.010 1.35524e+00  -1.54597e+01 0.00000e+00 0.00000e+00 2.10660e+02 275.010 2.24530e+01 275.010 0.9672 
1 1 1 16 8  20 o 10 7.35423e+01 1.09417e+01 4.48894e+01 331.818 1.60921e+00  -8.62205e-01 0.00000e+00 0.00000e+00 8.11238e+01 331.818 3.62344e+01 331.818 0.6670 
1 1 1 16 8  21 o 11 5.68641e+01 1.18654e+01 1.75619e+02 31.964  4.55907e+00  2.84489e+00  0.00000e+00 0.00000e+00 4.41689e+01 211.964 2.19788e+02 211.964 0.9014 
1 1 1 16 8  22 o 16 1.66708e+02 5.44660e+00 1.89820e+02 145.282 -1.40203e+01 9.71463e+00  0.00000e+00 0.00000e+00 2.24214e+02 145.282 3.43939e+01 145.282 0.9702 
1 1 1 16 8  23 o 11 8.36074e+01 8.84862e+00 4.37288e+01 239.741 -1.27007e+00 -2.17708e+00 0.00000e+00 0.00000e+00 1.20149e+02 239.741 7.64199e+01 239.741 0.7672 
1 1 1 16 8  24 o 15 2.04407e+02 4.71483e+00 2.39061e+02 88.599  8.53860e-01  3.49053e+01  0.00000e+00 0.00000e+00 2.74591e+02 88.599  3.55298e+01 88.599  0.9856 
1 1 1 16 8  25 o 3  1.77960e+02 4.76202e+00 1.77814e+02 8.803   2.31357e+01  3.58299e+00  0.00000e+00 0.00000e+00 2.65187e+02 8.803   8.73732e+01 8.803   0.9784 
1 1 1 16 8  26 o 10 1.43826e+02 5.21463e+00 1.50394e+02 12.332  1.56572e+01  3.42307e+00  0.00000e+00 0.00000e+00 2.03154e+02 12.332  5.27598e+01 12.332  0.9683 
1 1 1 16 8  27 o 2  1.25054e+02 6.19283e+00 2.04279e+02 116.698 -8.49945e+00 1.69004e+01  0.00000e+00 0.00000e+00 1.03979e+02 116.698 1.00300e+02 296.698 0.9732 
1 1 1 16 8  28 o 4  8.70587e+01 8.13575e+00 1.24495e+02 266.010 -5.90070e-01 -8.45946e+00 0.00000e+00 0.00000e+00 8.20824e+01 266.010 4.24130e+01 86.010  0.9390 
1 1 1 16 8  29 o 12 3.13664e+01 9.69901e+00 7.19508e+01 148.546 -1.44286e+00 8.82597e-01  0.00000e+00 0.00000e+00 2.13485e+01 328.546 9.32993e+01 328.546 0.6400 
1 1 1 16 8  30 o 18 8.52732e+01 8.09725e+00 1.68205e+02 152.440 -9.39984e+00 4.90576e+00  0.00000e+00 0.00000e+00 3.58200e+01 152.440 1.32385e+02 332.440 0.9516 
1 1 1 16 8  31 o 12 5.79409e+01 1.10762e+01 8.55963e+01 50.700  2.71328e+00  3.31498e+00  0.00000e+00 0.00000e+00 4.13364e+01 50.700  4.42599e+01 230.700 0.8736 
1 1 1 16 8  32 o 12 2.48370e+02 5.25627e+00 2.94665e+02 170.985 -6.15908e+01 9.77170e+00  0.00000e+00 0.00000e+00 3.21473e+02 170.985 2.68074e+01 170.985 0.9919 
1 1 1 16 8  33 o 17 3.61175e+01 1.07055e+01 6.83837e+01 231.553 -1.45595e+00 -1.83383e+00 0.00000e+00 0.00000e+00 1.13593e+00 51.553  6.95196e+01 51.553  0.7466 
1 1 1 16 8  34 o 15 5.95534e+01 1.03438e+01 6.26782e+01 306.407 2.17746e+00  -2.95268e+00 0.00000e+00 0.00000e+00 6.31168e+01 306.407 4.38668e-01 306.407 0.8495 
1 1 1 16 8  35 o 14 1.37279e+02 5.74141e+00 1.74530e+02 253.956 -6.77715e+00 -2.35672e+01 0.00000e+00 0.00000e+00 1.58808e+02 253.956 1.57218e+01 73.956  0.9794 
1 1 1 16 8  36 o 8  1.12903e+02 5.95020e+00 1.49473e+02 334.199 1.81737e+01  -8.78580e+00 0.00000e+00 0.00000e+00 1.22585e+02 334.199 2.68880e+01 154.199 0.9749 
1 1 1 16 8  37 o 17 7.42923e+01 1.21368e+01 1.09642e+02 133.655 -6.06905e+00 6.36081e+00  0.00000e+00 0.00000e+00 6.26597e+01 133.655 4.69826e+01 313.655 0.9413 
1 1 1 16 8  38 o 8  1.22704e+02 8.36511e+00 1.46578e+02 85.146  1.45262e+00  1.71059e+01  0.00000e+00 0.00000e+00 1.45866e+02 85.146  7.11389e-01 265.146 0.9704 
1 1 1 16 8  39 o 18 6.95174e+01 9.26173e+00 1.09497e+02 75.818  2.43705e+00  9.64379e+00  0.00000e+00 0.00000e+00 5.18746e+01 75.818  5.76219e+01 255.818 0.9483 
1 1 1 16 8  40 o 11 8.09712e+01 8.49818e+00 6.84290e+01 27.639  6.40556e+00  3.35433e+00  0.00000e+00 0.00000e+00 1.14882e+02 27.639  4.64526e+01 27.639  0.9280 
1 1 1 16 8  41 o 18 4.57661e+01 1.07721e+01 9.10002e+01 59.974  2.65967e+00  4.60193e+00  0.00000e+00 0.00000e+00 9.15433e+00 59.974  8.18459e+01 239.974 0.9002 
1 1 1 16 8  42 o 17 1.68967e+02 5.05736e+00 1.69223e+02 283.888 1.04886e+01  -4.24199e+01 0.00000e+00 0.00000e+00 2.35353e+02 283.888 6.61298e+01 283.888 0.9885 
1 1 1 16 8  43 o 8  8.35068e+01 9.61114e+00 6.93312e+01 10.111  8.58994e+00  1.53183e+00  0.00000e+00 0.00000e+00 1.20279e+02 10.111  5.09482e+01 10.111  0.9408 
1 1 1 16 8  44 o 18 7.18248e+01 9.73249e+00 1.08774e+02 174.997 -1.14876e+01 1.00556e+00  0.00000e+00 0.00000e+00 5.62533e+01 174.997 5.25210e+01 354.997 0.9556 
1 1 1 16 8  45 o 10 3.71989e+01 1.07225e+01 7.20132e+01 13.759  4.15598e+00  1.01767e+00  0.00000e+00 0.00000e+00 5.80886e+00 13.759  6.62044e+01 193.759 0.8734 
1 1 1 16 8  46 o 12 5.73690e+01 1.05837e+01 8.60834e+01 83.492  8.82154e-01  7.73272e+00  0.00000e+00 0.00000e+00 4.16648e+01 83.492  4.44186e+01 263.492 0.9334 
1 1 1 16 8  47 o 8  7.75842e+01 9.22971e+00 7.70443e+01 210.998 -9.25705e+00 -5.56173e+00 0.00000e+00 0.00000e+00 9.85592e+01 210.998 2.15149e+01 210.998 0.9525 
1 1 1 16 8  48 o 18 3.23955e+01 9.96940e+00 4.28800e+01 282.942 5.81176e-01  -2.52909e+00 0.00000e+00 0.00000e+00 1.65310e+01 282.942 2.63490e+01 102.942 0.7749 
1 1 1 16 8  49 f 0  7.93129e+01 8.50359e+00 8.48453e+01 337.025 1.37985e+01  -5.85009e+00 0.00000e+00 0.00000e+00 9.57190e+01 337.025 1.08736e+01 337.025 0.9660 
1 1 1 16 8  50 o 4  5.92752e+01 1.08510e+01 8.33617e+01 50.709  6.15418e+00  7.52134e+00  0.00000e+00 0.00000e+00 4.83697e+01 50.709  3.49920e+01 230.709 0.9471 
1 1 1 16 8  51 o 19 2.90686e+01 9.53796e+00 5.86329e+01 38.217  3.14850e+00  2.47918e+00  0.00000e+00 0.00000e+00 3.31103e-02 38.217  5.85998e+01 218.217 0.8638 
1 1 1 16 8  52 o 15 3.64774e+01 1.09792e+01 2.90764e+01 116.680 -1.00910e+00 2.00810e+00  0.00000e+00 0.00000e+00 3.32436e+01 116.680 4.16719e+00 116.680 0.7345 
1 1 1 16 9  0  o 18 1.81225e+02 7.91040e+00 2.30055e+02 0.000   1.02307e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.44780e+02 0.000   1.47248e+01 0.000   1.0000 
1 1 1 16 9  1  o 3  2.20976e+02 5.51259e+00 1.93905e+02 243.540 -9.37208e+00 -1.88304e+01 0.00000e+00 0.00000e+00 3.71122e+02 243.540 1.77217e+02 243.540 0.9759 
1 1 1 16 9  2  o 1  1.91244e+02 5.70732e+00 1.27120e+02 194.837 -1.15076e+01 -3.04832e+00 0.00000e+00 0.00000e+00 3.52351e+02 194.837 2.25231e+02 194.837 0.9570 
1 1 1 16 9  3  o 12 8.95083e+01 1.01334e+01 9.41398e+01 139.726 -3.00753e+00 2.54824e+00  0.00000e+00 0.00000e+00 1.07766e+02 139.726 1.36259e+01 139.726 0.8613 
1 1 1 16 9  4  o 7  2.63203e+02 4.43584e+00 2.20467e+02 217.718 -2.25672e+01 -1.74533e+01 0.00000e+00 0.00000e+00 4.56495e+02 217.718 2.36028e+02 217.718 0.9823 
1 1 1 16 9  5  o 12 3.09491e+02 4.24000e+00 3.88798e+02 121.476 -3.08236e+01 5.03474e+01  0.00000e+00 0.00000e+00 4.14346e+02 121.476 2.55473e+01 121.476 0.9915 
1 1 1 16 9  6  o 16 2.90737e+02 4.34823e+00 2.35820e+02 337.580 3.09534e+01  -1.27706e+01 0.00000e+00 0.00000e+00 5.13322e+02 337.580 2.77502e+02 337.580 0.9850 
1 1 1 16 9  7  o 19 1.93714e+02 4.88765e+00 3.27452e+02 105.042 -7.97733e+00 2.96856e+01  0.00000e+00 0.00000e+00 1.70723e+02 105.042 1.56729e+02 285.042 0.9836 
1 1 1 16 9  8  f 0  3.66332e+02 4.07266e+00 4.25770e+02 32.683  6.35723e+01  4.07863e+01  0.00000e+00 0.00000e+00 5.25064e+02 32.683  9.92938e+01 32.683  0.9934 
1 1 1 16 9  9  o 13 2.71423e+02 4.17919e+00 3.56978e+02 201.836 -4.33558e+01 -1.73726e+01 0.00000e+00 0.00000e+00 3.44077e+02 201.836 1.29013e+01 21.836  0.9892 
1 1 1 16 9  10 o 9  5.25008e+01 1.20856e+01 3.25150e+01 50.695  4.79110e-01  5.85246e-01  0.00000e+00 0.00000e+00 1.58998e+01 50.695  1.66152e+01 230.695 0.3535 
1 1 1 16 9  11 o 6  1.53301e+02 5.46595e+00 2.01349e+02 292.516 5.57090e+00  -1.34387e+01 0.00000e+00 0.00000e+00 1.84241e+02 292.516 1.71085e+01 112.516 0.9650 
1 1 1 16 9  12 o 13 9.94826e+01 7.34105e+00 1.07414e+02 266.081 -3.42558e-01 -5.00027e+00 0.00000e+00 0.00000e+00 1.24083e+02 266.081 1.66684e+01 266.081 0.8937 
1 1 1 16 9  13 o 9  2.58449e+02 4.06369e+00 2.86346e+02 268.303 -1.04200e+00 -3.51794e+01 0.00000e+00 0.00000e+00 3.76286e+02 268.303 8.99406e+01 268.303 0.9857 
1 1 1 16 9  14 o 16 2.38532e+02 4.79007e+00 2.49031e+02 146.854 -2.33276e+01 1.52337e+01  0.00000e+00 0.00000e+00 3.59466e+02 146.854 1.10436e+02 146.854 0.9819 
1 1 1 16 9  15 o 14 8.33709e+01 9.54810e+00 1.04321e+02 214.186 -3.61606e+00 -2.45619e+00 0.00000e+00 0.00000e+00 8.52788e+01 214.186 1.90418e+01 34.186  0.8764 
1 1 1 16 9  16 o 1  2.61792e+02 4.63042e+00 3.61673e+02 254.582 -1.31132e+01 -4.75503e+01 0.00000e+00 0.00000e+00 3.09811e+02 254.582 5.18616e+01 74.582  0.9898 
1 1 1 16 9  17 o 6  4.24778e+01 1.17476e+01 9.85483e+01 204.600 -2.08936e+00 -9.56573e-01 0.00000e+00 0.00000e+00 1.70866e+01 24.600  1.15635e+02 24.600  0.7411 
1 1 1 16 9  18 o 18 3.99097e+01 1.15842e+01 1.06312e+02 82.522  3.00712e-01  2.29097e+00  0.00000e+00 0.00000e+00 2.97237e+01 262.522 1.36036e+02 262.522 0.7427 
1 1 1 16 9  19 o 16 8.80474e+01 8.06802e+00 1.40657e+02 101.503 -1.31287e+00 6.45111e+00  0.00000e+00 0.00000e+00 6.84319e+01 101.503 7.22248e+01 281.503 0.9206 
1 1 1 16 9  20 o 6  2.83273e+01 9.37053e+00 8.24506e+01 78.715  2.36214e-01  1.18373e+00  0.00000e+00 0.00000e+00 4.48830e+01 258.715 1.27334e+02 258.715 0.5150 
1 1 1 16 9  21 o 1  2.81485e+02 4.03089e+00 3.05083e+02 26.425  5.60468e+01  2.78523e+01  0.00000e+00 0.00000e+00 4.12742e+02 26.425  1.07659e+02 26.425  0.9920 
1 1 1 16 9  22 o 4  3.32886e+01 1.01658e+01 6.07243e+01 264.948 -1.24160e-01 -1.40460e+00 0.00000e+00 0.00000e+00 1.17705e+01 84.948  7.24948e+01 84.948  0.5731 
1 1 1 16 9  23 o 12 1.41158e+02 5.42267e+00 1.36912e+02 32.700  1.19785e+01  7.68996e+00  0.00000e+00 0.00000e+00 2.11657e+02 32.700  7.47455e+01 32.700  0.9642 
1 1 1 16 9  24 o 7  5.37674e+01 1.12530e+01 6.50786e+01 307.289 1.43975e+00  -1.89072e+00 0.00000e+00 0.00000e+00 3.81060e+01 307.289 2.69726e+01 127.289 0.7509 
1 1 1 16 9  25 o 10 1.23123e+02 5.76119e+00 1.04889e+02 172.833 -9.57666e+00 1.20417e+00  0.00000e+00 0.00000e+00 1.92386e+02 172.833 8.74976e+01 172.833 0.9467 
1 1 1 16 9  26 o 9  8.48631e+01 8.47066e+00 7.71400e+01 113.296 -2.02472e+00 4.70236e+00  0.00000e+00 0.00000e+00 1.16381e+02 113.296 3.92409e+01 113.296 0.8961 
1 1 1 16 9  27 o 18 1.34358e+02 5.39760e+00 1.68954e+02 288.402 5.76074e+00  -1.73153e+01 0.00000e+00 0.00000e+00 1.62701e+02 288.402 6.25309e+00 108.402 0.9722 
1 1 1 16 9  28 o 3  9.38234e+01 7.60607e+00 8.87127e+01 0.211   6.24441e+00  2.30372e-02  0.00000e+00 0.00000e+00 1.28979e+02 0.211   4.02658e+01 0.211   0.9160 
1 1 1 16 9  29 o 6  3.90450e+01 1.07563e+01 4.06148e+01 341.255 1.31663e+00  -4.46805e-01 0.00000e+00 0.00000e+00 1.54076e+01 341.255 2.52072e+01 161.255 0.5678 
1 1 1 16 9  30 o 16 1.05036e+02 6.36553e+00 8.31930e+01 183.526 -7.40455e+00 -4.56269e-01 0.00000e+00 0.00000e+00 1.62986e+02 183.526 7.97932e+01 183.526 0.9299 
1 1 1 16 9  31 o 19 9.67130e+01 6.79639e+00 8.00750e+01 85.011  7.02061e-01  8.04227e+00  0.00000e+00 0.00000e+00 1.47439e+02 85.011  6.73638e+01 85.011  0.9358 
1 1 1 16 9  32 o 2  1.71085e+02 4.73057e+00 2.23715e+02 192.929 -4.13997e+01 -9.50365e+00 0.00000e+00 0.00000e+00 2.00102e+02 192.929 2.36127e+01 12.929  0.9882 
1 1 1 16 9  33 o 11 1.24895e+02 5.62949e+00 1.32436e+02 244.877 -7.29448e+00 -1.55557e+01 0.00000e+00 0.00000e+00 1.70560e+02 244.877 3.81244e+01 244.877 0.9704 
1 1 1 16 9  34 o 6  1.90305e+02 4.38518e+00 2.04239e+02 244.556 -2.07545e+01 -4.36228e+01 0.00000e+00 0.00000e+00 2.65194e+02 244.556 6.09555e+01 244.556 0.9896 
1 1 1 16 9  35 o 5  1.34519e+02 5.32102e+00 1.69272e+02 216.231 -2.38998e+01 -1.75121e+01 0.00000e+00 0.00000e+00 1.59353e+02 216.231 9.91890e+00 36.231  0.9830 
1 1 1 16 9  37 o 16 3.20201e+01 9.88399e+00 6.39146e+01 250.716 -8.78609e-01 -2.51112e+00 0.00000e+00 0.00000e+00 2.11906e+00 70.716  6.60337e+01 70.716  0.7814 
1 1 1 16 9  38 o 19 8.72857e+01 7.72417e+00 1.13569e+02 59.756  7.00742e+00  1.20187e+01  0.00000e+00 0.00000e+00 9.34468e+01 59.756  2.01223e+01 239.756 0.9634 
1 1 1 16 9  39 f 0  1.41527e+02 5.43345e+00 1.53869e+02 25.982  2.73670e+01  1.33370e+01  0.00000e+00 0.00000e+00 1.87650e+02 25.982  3.37817e+01 25.982  0.9834 
1 1 1 16 9  40 o 15 1.21890e+02 6.84825e+00 1.56468e+02 26.802  2.43090e+01  1.22802e+01  0.00000e+00 0.00000e+00 1.36077e+02 26.802  2.03916e+01 206.802 0.9815 
1 1 1 16 9  41 o 2  6.28502e+01 9.52554e+00 3.24879e+01 65.132  1.31876e+00  2.84523e+00  0.00000e+00 0.00000e+00 9.30332e+01 65.132  6.05454e+01 65.132  0.8196 
1 1 1 16 9  42 o 7  4.95359e+01 1.07003e+01 7.98849e+01 279.941 1.00179e+00  -5.71586e+00 0.00000e+00 0.00000e+00 2.94724e+01 279.941 5.04124e+01 99.941  0.9092 
1 1 1 16 9  43 o 14 5.02626e+01 1.06578e+01 9.43063e+01 86.910  3.64750e-01  6.75731e+00  0.00000e+00 0.00000e+00 1.79093e+01 86.910  7.63970e+01 266.910 0.9228 
1 1 1 16 9  44 o 18 6.74172e+01 9.65938e+00 1.01078e+02 264.270 -1.13384e+00 -1.13006e+01 0.00000e+00 0.00000e+00 5.40839e+01 264.270 4.69943e+01 84.270  0.9549 
1 1 1 16 9  45 o 18 5.05658e+01 1.08589e+01 5.46576e+01 284.688 1.10390e+00  -4.21149e+00 0.00000e+00 0.00000e+00 5.16790e+01 284.688 2.97865e+00 104.688 0.8759 
1 1 1 16 9  46 o 7  4.79453e+01 1.24788e+01 2.49583e+01 157.584 -1.73601e+00 7.16087e-01  0.00000e+00 0.00000e+00 5.26314e+01 157.584 2.76731e+01 157.584 0.6767 
1 1 1 16 9  47 o 4  7.90408e+01 9.24988e+00 7.36096e+01 288.543 3.57032e+00  -1.06442e+01 0.00000e+00 0.00000e+00 1.06073e+02 288.543 3.24636e+01 288.543 0.9544 
1 1 1 16 9  48 o 19 3.75265e+01 1.10092e+01 5.51764e+00 12.681  3.99099e-01  8.97991e-02  0.00000e+00 0.00000e+00 1.23202e+01 12.681  6.80256e+00 12.681  0.2004 
1 1 1 16 9  49 o 13 7.28834e+01 1.07702e+01 7.84268e+01 176.793 -1.12851e+01 6.32375e-01  0.00000e+00 0.00000e+00 8.59461e+01 176.793 7.51931e+00 176.793 0.9547 
1 1 1 16 9  50 o 3  7.27054e+01 1.02099e+01 9.33568e+01 116.128 -6.79190e+00 1.38469e+01  0.00000e+00 0.00000e+00 7.20252e+01 116.128 2.13316e+01 296.128 0.9670 
1 1 1 16 9  51 o 1  4.87707e+01 1.19578e+01 6.88553e+01 54.902  3.88159e+00  5.52329e+00  0.00000e+00 0.00000e+00 3.65314e+01 54.902  3.23239e+01 234.902 0.9226 
1 1 1 16 10 0  o 13 1.54288e+02 8.93820e+00 1.64054e+02 180.000 -5.96467e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.41289e+02 180.000 7.72347e+01 180.000 1.0000 
1 1 1 16 10 1  o 5  8.65964e+01 1.10256e+01 6.74733e+01 354.344 2.60766e+00  -2.58265e-01 0.00000e+00 0.00000e+00 1.09403e+02 354.344 4.19297e+01 354.344 0.7775 
1 1 1 16 10 2  o 16 3.79565e+01 1.09000e+01 8.12361e+01 238.554 -7.21857e-01 -1.18044e+00 0.00000e+00 0.00000e+00 2.48013e+01 58.554  1.06037e+02 58.554  0.5660 
1 1 1 16 10 3  o 5  7.25605e+01 1.10096e+01 4.18342e+01 126.071 -8.13534e-01 1.11681e+00  0.00000e+00 0.00000e+00 6.59267e+01 126.071 2.40926e+01 126.071 0.5655 
1 1 1 16 10 4  o 3  8.42018e+01 9.59557e+00 1.10768e+02 355.700 4.29787e+00  -3.23120e-01 0.00000e+00 0.00000e+00 8.25454e+01 355.700 2.82221e+01 175.700 0.8745 
1 1 1 16 10 5  o 17 1.06641e+02 7.35613e+00 1.77217e+02 238.682 -4.63132e+00 -7.61180e+00 0.00000e+00 0.00000e+00 8.64430e+01 238.682 9.07741e+01 58.682  0.9421 
1 1 1 16 10 6  o 16 3.97397e+02 4.52063e+00 4.85114e+02 19.743  8.70141e+01  3.12291e+01  0.00000e+00 0.00000e+00 5.51661e+02 19.743  6.65477e+01 19.743  0.9946 
1 1 1 16 10 7  o 6  8.21441e+01 9.56264e+00 5.91147e+01 59.998  1.10955e+00  1.92164e+00  0.00000e+00 0.00000e+00 9.82335e+01 59.998  3.91188e+01 59.998  0.7306 
1 1 1 16 10 8  o 18 5.02115e+01 1.28364e+01 1.14182e+02 161.703 -2.37089e+00 7.83958e-01  0.00000e+00 0.00000e+00 1.35855e+01 341.703 1.27768e+02 341.703 0.7647 
1 1 1 16 10 9  o 13 1.68377e+02 7.19769e+00 2.42146e+02 285.424 5.67199e+00  -2.05582e+01 0.00000e+00 0.00000e+00 1.88211e+02 285.424 5.39353e+01 105.424 0.9763 
1 1 1 16 10 10 o 18 6.63874e+01 1.23178e+01 2.96148e+01 220.767 -7.24641e-01 -6.24773e-01 0.00000e+00 0.00000e+00 4.52115e+01 220.767 1.55967e+01 220.767 0.4309 
1 1 1 16 10 11 o 3  1.27919e+02 7.31266e+00 1.49363e+02 204.770 -8.94255e+00 -4.12635e+00 0.00000e+00 0.00000e+00 1.67503e+02 204.770 1.81402e+01 204.770 0.9478 
1 1 1 16 10 12 o 6  1.59766e+02 5.94304e+00 2.15471e+02 192.902 -2.01540e+01 -4.61677e+00 0.00000e+00 0.00000e+00 1.91455e+02 192.902 2.40162e+01 12.902  0.9755 
1 1 1 16 10 13 o 3  1.04469e+02 7.59458e+00 9.45966e+01 346.686 5.63041e+00  -1.33245e+00 0.00000e+00 0.00000e+00 1.53051e+02 346.686 5.84549e+01 346.686 0.9089 
1 1 1 16 10 14 o 6  2.96549e+02 4.00596e+00 4.21391e+02 142.560 -5.94549e+01 4.55227e+01  0.00000e+00 0.00000e+00 3.45973e+02 142.560 7.54173e+01 322.560 0.9933 
1 1 1 16 10 15 o 17 1.38688e+02 5.65715e+00 1.72842e+02 141.099 -1.02635e+01 8.28178e+00  0.00000e+00 0.00000e+00 1.74039e+02 141.099 1.19750e+00 141.099 0.9613 
1 1 1 16 10 16 o 16 8.57076e+01 8.40142e+00 7.12838e+01 243.087 -1.46546e+00 -2.88690e+00 0.00000e+00 0.00000e+00 1.12693e+02 243.087 4.14094e+01 243.087 0.8261 
1 1 1 16 10 17 o 7  1.01167e+02 7.02513e+00 1.61781e+02 195.412 -1.13284e+01 -3.12301e+00 0.00000e+00 0.00000e+00 8.92826e+01 195.412 7.24983e+01 15.412  0.9565 
1 1 1 16 10 18 o 17 1.76351e+02 4.70975e+00 2.10114e+02 261.340 -4.06464e+00 -2.66866e+01 0.00000e+00 0.00000e+00 2.38224e+02 261.340 2.81101e+01 261.340 0.9813 
1 1 1 16 10 19 o 17 9.03907e+01 7.44112e+00 7.42440e+01 113.569 -1.96876e+00 4.51288e+00  0.00000e+00 0.00000e+00 1.34214e+02 113.569 5.99697e+01 113.569 0.8916 
1 1 1 16 10 20 f 0  1.51647e+02 5.06841e+00 2.61691e+02 1.493   2.95839e+01  7.71308e-01  0.00000e+00 0.00000e+00 1.23230e+02 1.493   1.38462e+02 181.493 0.9830 
1 1 1 16 10 21 o 2  1.56952e+02 4.91326e+00 1.65077e+02 3.951   1.94764e+01  1.34510e+00  0.00000e+00 0.00000e+00 2.28997e+02 3.951   6.39199e+01 3.951   0.9740 
1 1 1 16 10 22 o 13 8.33900e+01 8.01761e+00 1.28537e+02 336.070 7.19527e+00  -3.19295e+00 0.00000e+00 0.00000e+00 7.18889e+01 336.070 5.66480e+01 156.070 0.9341 
1 1 1 16 10 23 o 11 6.34419e+01 1.00375e+01 1.06099e+02 102.730 -1.04006e+00 4.60370e+00  0.00000e+00 0.00000e+00 3.83176e+01 102.730 6.77811e+01 282.730 0.8864 
1 1 1 16 10 24 f 0  1.28870e+02 5.58526e+00 9.98507e+01 35.764  8.50967e+00  6.12925e+00  0.00000e+00 0.00000e+00 2.14247e+02 35.764  1.14396e+02 35.764  0.9511 
1 1 1 16 10 25 o 4  1.59390e+02 4.93769e+00 2.39143e+02 126.932 -1.80651e+01 2.40328e+01  0.00000e+00 0.00000e+00 1.61634e+02 126.932 7.75090e+01 306.932 0.9832 
1 1 1 16 10 26 o 1  4.41989e+01 1.10894e+01 3.45285e+01 337.057 9.94642e-01  -4.21039e-01 0.00000e+00 0.00000e+00 1.89361e+01 337.057 1.55924e+01 157.057 0.4740 
1 1 1 16 10 27 o 19 1.31914e+02 5.34681e+00 1.61829e+02 24.159  1.89746e+01  8.51130e+00  0.00000e+00 0.00000e+00 1.65831e+02 24.159  4.00186e+00 24.159  0.9757 
1 1 1 16 10 28 o 11 2.02343e+02 4.36966e+00 2.42630e+02 162.921 -4.09853e+01 1.25920e+01  0.00000e+00 0.00000e+00 2.65262e+02 162.921 2.26318e+01 162.921 0.9883 
1 1 1 16 10 29 o 2  1.94691e+02 4.34693e+00 2.45500e+02 313.738 3.59486e+01  -3.75677e+01 0.00000e+00 0.00000e+00 2.43006e+02 313.738 2.49405e+00 133.738 0.9903 
1 1 1 16 10 30 o 3  9.86705e+01 6.79440e+00 1.16249e+02 191.220 -1.21685e+01 -2.41376e+00 0.00000e+00 0.00000e+00 1.22837e+02 191.220 6.58748e+00 191.220 0.9588 
1 1 1 16 10 31 o 11 4.11813e+01 1.10527e+01 5.31397e+01 201.091 -1.91016e+00 -7.36742e-01 0.00000e+00 0.00000e+00 2.00794e+01 201.091 3.30603e+01 21.091  0.7054 
1 1 1 16 10 32 o 18 2.15711e+02 4.18953e+00 2.05263e+02 265.411 -4.45660e+00 -5.55200e+01 0.00000e+00 0.00000e+00 3.32078e+02 265.411 1.26815e+02 265.411 0.9910 
1 1 1 16 10 33 o 8  1.70754e+02 4.56137e+00 1.84743e+02 193.268 -4.08629e+01 -9.63556e+00 0.00000e+00 0.00000e+00 2.38151e+02 193.268 5.34082e+01 193.268 0.9880 
1 1 1 16 10 35 o 17 1.29734e+02 5.48256e+00 1.34521e+02 58.598  1.34186e+01  2.19816e+01  0.00000e+00 0.00000e+00 1.82435e+02 58.598  4.79132e+01 58.598  0.9804 
1 1 1 16 10 36 o 14 7.82163e+01 7.91967e+00 9.44649e+01 7.960   1.03339e+01  1.44501e+00  0.00000e+00 0.00000e+00 9.02936e+01 7.960   4.17139e+00 187.960 0.9508 
1 1 1 16 10 37 o 8  7.28273e+01 9.03588e+00 9.58665e+01 257.568 -1.95181e+00 -8.85389e+00 0.00000e+00 0.00000e+00 7.42368e+01 257.568 2.16297e+01 77.568  0.9431 
1 1 1 16 10 38 o 7  1.27979e+02 5.50052e+00 1.35560e+02 119.923 -1.29146e+01 2.24385e+01  0.00000e+00 0.00000e+00 1.74201e+02 119.923 3.86409e+01 119.923 0.9805 
1 1 1 16 10 39 o 5  4.70977e+01 1.07594e+01 6.22948e+01 193.171 -3.78186e+00 -8.85021e-01 0.00000e+00 0.00000e+00 3.72342e+01 193.171 2.50606e+01 13.171  0.8589 
1 1 1 16 10 40 o 3  4.35229e+01 1.08807e+01 5.46322e+01 289.503 1.15512e+00  -3.26138e+00 0.00000e+00 0.00000e+00 3.49026e+01 289.503 1.97296e+01 109.503 0.8390 
1 1 1 16 10 41 o 9  5.81015e+01 1.08038e+01 6.01879e+01 85.672  3.84268e-01  5.07693e+00  0.00000e+00 0.00000e+00 6.69392e+01 85.672  6.75133e+00 85.672  0.8955 
1 1 1 16 10 42 o 7  3.91487e+01 1.10299e+01 3.38344e+01 13.584  2.05577e+00  4.96739e-01  0.00000e+00 0.00000e+00 3.43904e+01 13.584  5.56034e-01 13.584  0.7158 
1 1 1 16 10 43 o 13 4.69250e+01 1.13337e+01 5.47728e+01 221.128 -2.99888e+00 -2.61865e+00 0.00000e+00 0.00000e+00 4.34406e+01 221.128 1.13322e+01 41.128  0.8628 
1 1 1 16 10 44 o 13 3.80515e+01 1.06256e+01 3.58766e+01 36.600  1.73972e+00  1.29205e+00  0.00000e+00 0.00000e+00 3.06456e+01 36.600  5.23092e+00 216.600 0.7234 
1 1 1 16 10 45 o 18 1.16458e+02 6.70356e+00 1.34201e+02 334.124 2.78439e+01  -1.35060e+01 0.00000e+00 0.00000e+00 1.41598e+02 334.124 7.39671e+00 334.124 0.9837 
1 1 1 16 10 46 o 3  9.82435e+01 7.93730e+00 7.53821e+01 222.497 -1.17405e+01 -1.07571e+01 0.00000e+00 0.00000e+00 1.52687e+02 222.497 7.73047e+01 222.497 0.9681 
1 1 1 16 10 47 o 18 3.91108e+01 1.11173e+01 3.11675e+01 279.272 3.85448e-01  -2.36109e+00 0.00000e+00 0.00000e+00 3.91504e+01 279.272 7.98292e+00 279.272 0.7528 
1 1 1 16 10 48 o 2  3.39049e+01 1.03241e+01 2.88164e+01 28.888  1.88280e+00  1.03885e+00  0.00000e+00 0.00000e+00 2.93299e+01 28.888  5.13508e-01 28.888  0.7210 
1 1 1 16 10 49 o 11 2.98426e+01 9.75455e+00 5.57505e+01 350.588 3.82219e+00  -6.33562e-01 0.00000e+00 0.00000e+00 4.93678e+00 350.588 5.08137e+01 170.588 0.8585 
1 1 1 16 10 50 o 17 6.73623e+01 1.10348e+01 5.89871e+01 265.074 -7.99128e-01 -9.27115e+00 0.00000e+00 0.00000e+00 9.10994e+01 265.074 3.21122e+01 265.074 0.9446 
1 1 1 16 11 0  o 2  2.94076e+01 1.81311e+01 5.29522e+01 180.000 -3.74088e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.52442e+01 0.000   7.81964e+01 0.000   0.3576 
1 1 1 16 11 1  o 11 1.10170e+02 6.99045e+00 7.97300e+01 267.260 -2.17582e-01 -4.54649e+00 0.00000e+00 0.00000e+00 1.76259e+02 267.260 9.65287e+01 267.260 0.8818 
1 1 1 16 11 2  o 4  4.09643e+02 4.52953e+00 4.93265e+02 276.717 1.24757e+01  -1.05932e+02 0.00000e+00 0.00000e+00 5.80918e+02 276.717 8.76538e+01 276.717 0.9953 
1 1 1 16 11 3  o 11 4.83640e+01 1.20676e+01 6.36445e+01 79.573  3.09803e-01  1.68359e+00  0.00000e+00 0.00000e+00 1.84367e+01 79.573  4.52078e+01 259.573 0.6443 
1 1 1 16 11 4  o 13 1.80254e+02 5.43511e+00 2.03432e+02 221.397 -1.66805e+01 -1.47044e+01 0.00000e+00 0.00000e+00 2.60425e+02 221.397 5.69927e+01 221.397 0.9772 
1 1 1 16 11 5  o 8  1.29159e+02 7.34207e+00 1.23420e+02 116.378 -4.20039e+00 8.46990e+00  0.00000e+00 0.00000e+00 1.98039e+02 116.378 7.46183e+01 116.378 0.9455 
1 1 1 16 11 6  o 8  1.96452e+02 6.76383e+00 1.47101e+02 263.165 -2.04537e+00 -1.70647e+01 0.00000e+00 0.00000e+00 3.54491e+02 263.165 2.07389e+02 263.165 0.9705 
1 1 1 16 11 7  o 5  1.59484e+02 6.08526e+00 1.79570e+02 178.928 -1.70729e+01 3.19579e-01  0.00000e+00 0.00000e+00 2.27324e+02 178.928 4.77546e+01 178.928 0.9703 
1 1 1 16 11 8  o 8  7.13018e+01 1.15952e+01 2.14653e+01 25.989  7.58637e-01  3.69838e-01  0.00000e+00 0.00000e+00 5.13069e+01 25.989  2.98416e+01 25.989  0.3884 
1 1 1 16 11 9  o 18 6.31373e+01 1.22484e+01 1.01994e+02 14.128  3.19647e+00  8.04580e-01  0.00000e+00 0.00000e+00 3.55630e+01 14.128  6.64314e+01 194.128 0.8297 
1 1 1 16 11 10 o 8  2.53094e+02 4.26704e+00 2.60336e+02 159.523 -3.44387e+01 1.28600e+01  0.00000e+00 0.00000e+00 3.94619e+02 159.523 1.34283e+02 159.523 0.9863 
1 1 1 16 11 11 o 12 9.71358e+01 7.66954e+00 1.21240e+02 310.200 4.08987e+00  -4.83969e+00 0.00000e+00 0.00000e+00 1.12326e+02 310.200 8.91393e+00 130.200 0.9173 
1 1 1 16 11 12 o 19 1.49057e+02 5.49030e+00 1.59013e+02 141.997 -1.37980e+01 1.07812e+01  0.00000e+00 0.00000e+00 2.20016e+02 141.997 6.10031e+01 141.997 0.9710 
1 1 1 16 11 13 o 18 3.59394e+01 1.07674e+01 9.14718e+01 250.220 -7.53496e-01 -2.09520e+00 0.00000e+00 0.00000e+00 2.26825e+01 70.220  1.14154e+02 70.220  0.7317 
1 1 1 16 11 14 o 12 1.39205e+02 5.66785e+00 1.26163e+02 242.816 -5.82086e+00 -1.13340e+01 0.00000e+00 0.00000e+00 2.22985e+02 242.816 9.68214e+01 242.816 0.9599 
1 1 1 16 11 15 o 19 1.35965e+02 5.92508e+00 1.95321e+02 13.109  1.94955e+01  4.54006e+00  0.00000e+00 0.00000e+00 1.50516e+02 13.109  4.48044e+01 193.109 0.9747 
1 1 1 16 11 16 o 15 9.54160e+01 7.52790e+00 1.31610e+02 221.700 -6.85556e+00 -6.10813e+00 0.00000e+00 0.00000e+00 1.03098e+02 221.700 2.85129e+01 41.700  0.9439 
1 1 1 16 11 17 o 18 2.16223e+02 4.42760e+00 1.71004e+02 22.947  2.61012e+01  1.10507e+01  0.00000e+00 0.00000e+00 3.81684e+02 22.947  2.10680e+02 22.947  0.9822 
1 1 1 16 11 18 o 19 7.90469e+01 9.32740e+00 1.88625e+02 175.324 -1.05685e+01 8.64390e-01  0.00000e+00 0.00000e+00 6.83872e+00 175.324 1.81787e+02 355.324 0.9516 
1 1 1 16 11 19 o 9  4.01624e+01 1.09848e+01 7.11547e+01 268.132 -6.51532e-02 -1.99720e+00 0.00000e+00 0.00000e+00 1.52058e+00 268.132 6.96342e+01 88.132  0.6975 
1 1 1 16 11 20 o 18 4.68892e+02 4.39407e+00 4.72416e+02 335.772 1.53734e+02  -6.91796e+01 0.00000e+00 0.00000e+00 7.38406e+02 335.772 2.65991e+02 335.772 0.9970 
1 1 1 16 11 21 o 15 1.61728e+02 5.02841e+00 2.01767e+02 200.808 -2.52016e+01 -9.57700e+00 0.00000e+00 0.00000e+00 2.08539e+02 200.808 6.77236e+00 200.808 0.9813 
1 1 1 16 11 22 o 18 2.40144e+02 4.09626e+00 2.72315e+02 286.986 1.53291e+01  -5.01828e+01 0.00000e+00 0.00000e+00 3.41474e+02 286.986 6.91583e+01 286.986 0.9904 
1 1 1 16 11 23 o 15 1.07469e+02 6.46131e+00 1.13473e+02 53.702  5.57305e+00  7.58729e+00  0.00000e+00 0.00000e+00 1.48186e+02 53.702  3.47131e+01 53.702  0.9453 
1 1 1 16 11 24 o 6  1.00206e+02 6.77748e+00 1.00881e+02 117.253 -4.46722e+00 8.67261e+00  0.00000e+00 0.00000e+00 1.43109e+02 117.253 4.22281e+01 117.253 0.9473 
1 1 1 16 11 25 o 14 7.88674e+01 8.20076e+00 5.04348e+01 46.632  2.29467e+00  2.42930e+00  0.00000e+00 0.00000e+00 1.17952e+02 46.632  6.75168e+01 46.632  0.8324 
1 1 1 16 11 26 o 12 2.86025e+02 4.05897e+00 2.85092e+02 59.054  3.67224e+01  6.12473e+01  0.00000e+00 0.00000e+00 4.41801e+02 59.054  1.56709e+02 59.054  0.9930 
1 1 1 16 11 27 o 6  1.05843e+02 6.43960e+00 9.69713e+01 204.449 -9.86747e+00 -4.48635e+00 0.00000e+00 0.00000e+00 1.60513e+02 204.449 6.35412e+01 204.449 0.9527 
1 1 1 16 11 28 f 0  4.02457e+01 1.10243e+01 9.43769e+01 238.634 -1.94036e+00 -3.18311e+00 0.00000e+00 0.00000e+00 7.00833e+00 58.634  1.01385e+02 58.634  0.8522 
1 1 1 16 11 29 o 5  6.54106e+01 1.02546e+01 1.03796e+02 100.397 -1.17233e+00 6.38935e+00  0.00000e+00 0.00000e+00 4.90335e+01 100.397 5.47623e+01 280.397 0.9194 
1 1 1 16 11 30 o 15 3.27353e+01 9.96792e+00 4.51434e+01 282.403 3.54674e-01  -1.61275e+00 0.00000e+00 0.00000e+00 7.24450e+00 282.403 3.78989e+01 102.403 0.6314 
1 1 1 16 11 31 o 8  6.70800e+01 9.73728e+00 8.47524e+01 301.942 3.57775e+00  -5.73843e+00 0.00000e+00 0.00000e+00 7.17351e+01 301.942 1.30173e+01 121.942 0.9228 
1 1 1 16 11 33 o 3  1.47715e+02 5.11410e+00 1.69721e+02 32.802  3.15567e+01  2.03387e+01  0.00000e+00 0.00000e+00 1.96678e+02 32.802  2.69564e+01 32.802  0.9866 
1 1 1 16 11 34 o 4  1.08159e+02 6.28593e+00 1.39613e+02 47.120  1.52487e+01  1.64208e+01  0.00000e+00 0.00000e+00 1.25410e+02 47.120  1.42025e+01 227.120 0.9774 
1 1 1 16 11 35 o 4  8.46724e+01 8.08533e+00 1.13150e+02 150.687 -1.12325e+01 6.30686e+00  0.00000e+00 0.00000e+00 9.00957e+01 150.687 2.30545e+01 330.687 0.9604 
1 1 1 16 11 36 o 6  5.76699e+01 1.02758e+01 1.23309e+02 64.938  3.97854e+00  8.50797e+00  0.00000e+00 0.00000e+00 1.25124e+01 64.938  1.10797e+02 244.938 0.9452 
1 1 1 16 11 37 o 12 8.63905e+01 7.48541e+00 1.48084e+02 124.717 -1.07942e+01 1.55789e+01  0.00000e+00 0.00000e+00 6.07668e+01 124.717 8.73173e+01 304.717 0.9733 
1 1 1 16 11 38 o 9  7.86058e+01 7.94082e+00 1.12822e+02 103.755 -3.44004e+00 1.40527e+01  0.00000e+00 0.00000e+00 7.49497e+01 103.755 3.78726e+01 283.755 0.9648 
1 1 1 16 11 39 o 13 4.87787e+01 1.07657e+01 5.97132e+01 296.269 1.89718e+00  -3.84392e+00 0.00000e+00 0.00000e+00 4.54570e+01 296.269 1.42562e+01 116.269 0.8737 
1 1 1 16 11 40 o 14 1.46240e+02 5.05995e+00 1.63404e+02 39.755  3.12949e+01  2.60327e+01  0.00000e+00 0.00000e+00 1.91803e+02 39.755  2.83986e+01 39.755  0.9876 
1 1 1 16 11 41 o 3  6.74136e+01 1.02710e+01 1.27915e+02 348.522 1.38632e+01  -2.81501e+00 0.00000e+00 0.00000e+00 3.13486e+01 348.522 9.65663e+01 168.522 0.9640 
1 1 1 16 11 42 o 18 5.60431e+01 1.11739e+01 6.73557e+01 55.812  3.32640e+00  4.89677e+00  0.00000e+00 0.00000e+00 5.73341e+01 55.812  1.00216e+01 235.812 0.9111 
1 1 1 16 11 43 o 5  9.07941e+01 8.66426e+00 9.53434e+01 299.048 7.86569e+00  -1.41623e+01 0.00000e+00 0.00000e+00 1.18634e+02 299.048 2.32902e+01 299.048 0.9686 
1 1 1 16 11 44 o 6  8.03143e+01 8.77411e+00 5.31175e+01 242.875 -3.87684e+00 -7.56803e+00 0.00000e+00 0.00000e+00 1.29727e+02 242.875 7.66094e+01 242.875 0.9392 
1 1 1 16 11 45 o 12 6.78347e+01 9.82167e+00 1.07726e+02 242.309 -7.20228e+00 -1.37235e+01 0.00000e+00 0.00000e+00 5.06962e+01 242.309 5.70297e+01 62.309  0.9672 
1 1 1 16 11 46 o 3  6.63013e+01 1.19631e+01 9.69059e+01 333.962 1.08339e+01  -5.29302e+00 0.00000e+00 0.00000e+00 5.57989e+01 333.962 4.11070e+01 153.962 0.9576 
1 1 1 16 11 47 o 15 3.46904e+01 1.07200e+01 6.13508e+01 59.355  2.33079e+00  3.93407e+00  0.00000e+00 0.00000e+00 1.19819e+01 59.355  4.93688e+01 239.355 0.8824 
1 1 1 16 11 48 o 10 7.34230e+01 1.14526e+01 9.44108e+01 234.302 -8.45257e+00 -1.17637e+01 0.00000e+00 0.00000e+00 7.46009e+01 234.302 1.98100e+01 54.302  0.9648 
1 1 1 16 11 49 o 5  4.80352e+01 1.13373e+01 5.26598e+01 185.293 -5.77752e+00 -5.35256e-01 0.00000e+00 0.00000e+00 5.10974e+01 185.293 1.56232e+00 5.293   0.9092 
1 1 1 16 12 0  o 15 3.33743e+01 2.00915e+01 4.61236e+01 180.000 -4.89831e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.05912e+00 0.000   5.21827e+01 0.000   0.4541 
1 1 1 16 12 1  o 19 1.15490e+02 7.40605e+00 1.33595e+02 315.712 8.01827e+00  -7.82145e+00 0.00000e+00 0.00000e+00 1.57749e+02 315.712 2.41542e+01 315.712 0.9543 
1 1 1 16 12 2  o 2  2.32090e+02 4.70074e+00 2.79707e+02 152.160 -4.29858e+01 2.27025e+01  0.00000e+00 0.00000e+00 3.27422e+02 152.160 4.77147e+01 152.160 0.9897 
1 1 1 16 12 3  o 15 5.50992e+01 1.19141e+01 6.55862e+01 78.630  4.76277e-01  2.36839e+00  0.00000e+00 0.00000e+00 4.44244e+01 78.630  2.11618e+01 258.630 0.7555 
1 1 1 16 12 4  o 18 3.68010e+01 1.10829e+01 7.62176e+01 60.070  9.49730e-01  1.64964e+00  0.00000e+00 0.00000e+00 9.98166e+00 240.070 8.61992e+01 240.070 0.6813 
1 1 1 16 12 5  o 12 1.15258e+02 7.07192e+00 1.13937e+02 32.567  8.01313e+00  5.11803e+00  0.00000e+00 0.00000e+00 1.73963e+02 32.567  6.00258e+01 32.567  0.9459 
1 1 1 16 12 6  o 5  1.00288e+02 7.03579e+00 1.09799e+02 282.312 1.69523e+00  -7.76701e+00 0.00000e+00 0.00000e+00 1.37665e+02 282.312 2.78656e+01 282.312 0.9348 
1 1 1 16 12 7  o 10 3.14181e+01 9.90875e+00 5.89045e+01 259.984 -2.21249e-01 -1.25269e+00 0.00000e+00 0.00000e+00 1.45993e+01 79.984  7.35038e+01 79.984  0.5345 
1 1 1 16 12 8  o 11 1.02689e+02 7.26738e+00 1.25494e+02 324.348 7.84884e+00  -5.63003e+00 0.00000e+00 0.00000e+00 1.30815e+02 324.348 5.32086e+00 324.348 0.9467 
1 1 1 16 12 9  o 19 7.07082e+01 9.66281e+00 6.79989e+01 196.848 -3.29986e+00 -9.99320e-01 0.00000e+00 0.00000e+00 8.81656e+01 196.848 2.01667e+01 196.848 0.8383 
1 1 1 16 12 10 o 3  1.26171e+02 5.70956e+00 1.53610e+02 115.645 -6.34374e+00 1.32136e+01  0.00000e+00 0.00000e+00 1.66975e+02 115.645 1.33653e+01 115.645 0.9653 
1 1 1 16 12 11 o 3  1.74485e+02 4.93971e+00 1.46269e+02 50.315  1.23451e+01  1.48777e+01  0.00000e+00 0.00000e+00 3.00585e+02 50.315  1.54316e+02 50.315  0.9738 
1 1 1 16 12 12 o 3  5.70203e+01 1.18158e+01 8.75180e+01 264.889 -3.06055e-01 -3.42191e+00 0.00000e+00 0.00000e+00 3.79739e+01 264.889 4.95441e+01 84.889  0.8377 
1 1 1 16 12 13 o 9  9.51378e+01 8.39322e+00 1.05152e+02 352.422 7.23014e+00  -9.61878e-01 0.00000e+00 0.00000e+00 1.26728e+02 352.422 2.15766e+01 352.422 0.9287 
1 1 1 16 12 14 o 11 2.32432e+02 4.54965e+00 2.61575e+02 7.619   4.69663e+01  6.28275e+00  0.00000e+00 0.00000e+00 3.41270e+02 7.619   7.96954e+01 7.619   0.9894 
1 1 1 16 12 15 o 17 5.19484e+01 1.19017e+01 7.85006e+01 297.641 1.30236e+00  -2.48685e+00 0.00000e+00 0.00000e+00 2.95806e+01 297.641 4.89200e+01 117.641 0.7947 
1 1 1 16 12 16 o 6  8.96967e+01 7.92441e+00 1.22081e+02 140.462 -6.20283e+00 5.12013e+00  0.00000e+00 0.00000e+00 9.73419e+01 140.462 2.47391e+01 320.462 0.9356 
1 1 1 16 12 17 o 7  1.45714e+02 5.43204e+00 1.29071e+02 159.941 -1.46664e+01 5.35533e+00  0.00000e+00 0.00000e+00 2.38990e+02 159.941 1.09919e+02 159.941 0.9674 
1 1 1 16 12 18 o 1  1.97312e+02 4.64472e+00 2.43562e+02 271.188 8.05319e-01  -3.88206e+01 0.00000e+00 0.00000e+00 2.64166e+02 271.188 2.06043e+01 271.188 0.9870 
1 1 1 16 12 19 o 14 2.20151e+02 4.40023e+00 2.75009e+02 355.651 4.83513e+01  -3.67747e+00 0.00000e+00 0.00000e+00 2.92072e+02 355.651 1.70622e+01 355.651 0.9896 
1 1 1 16 12 20 o 19 1.41749e+02 5.47117e+00 1.44171e+02 312.119 1.37095e+01  -1.51623e+01 0.00000e+00 0.00000e+00 2.15035e+02 312.119 7.08644e+01 312.119 0.9752 
1 1 1 16 12 21 o 11 1.98472e+02 4.49832e+00 1.78463e+02 276.291 3.88721e+00  -3.52586e+01 0.00000e+00 0.00000e+00 3.29041e+02 276.291 1.50578e+02 276.291 0.9858 
1 1 1 16 12 22 o 9  2.49951e+02 4.19817e+00 3.12655e+02 70.676  2.30987e+01  6.58722e+01  0.00000e+00 0.00000e+00 3.29836e+02 70.676  1.71815e+01 70.676  0.9928 
1 1 1 16 12 23 o 5  2.26809e+02 4.32638e+00 2.10574e+02 192.516 -5.19562e+01 -1.15335e+01 0.00000e+00 0.00000e+00 3.69980e+02 192.516 1.59406e+02 192.516 0.9906 
1 1 1 16 12 24 o 19 2.04427e+02 4.48872e+00 3.03196e+02 168.805 -6.67535e+01 1.32119e+01  0.00000e+00 0.00000e+00 2.20098e+02 168.805 8.30981e+01 348.805 0.9926 
1 1 1 16 12 25 o 14 4.12412e+01 1.12665e+01 6.43493e+01 97.731  -3.50963e-01 2.58536e+00  0.00000e+00 0.00000e+00 1.80451e+01 97.731  4.63042e+01 277.731 0.7764 
1 1 1 16 12 26 o 15 4.94842e+01 1.11211e+01 4.21656e+01 156.838 -1.81319e+00 7.75707e-01  0.00000e+00 0.00000e+00 4.59071e+01 156.838 3.74143e+00 156.838 0.6931 
1 1 1 16 12 27 o 14 4.51696e+01 1.13056e+01 5.09343e+01 320.979 1.94029e+00  -1.57240e+00 0.00000e+00 0.00000e+00 3.75574e+01 320.979 1.33769e+01 140.979 0.7647 
1 1 1 16 12 28 o 7  2.27991e+02 4.68300e+00 2.94770e+02 341.243 7.98550e+01  -2.71182e+01 0.00000e+00 0.00000e+00 2.84462e+02 341.243 1.03084e+01 161.243 0.9941 
1 1 1 16 12 29 o 11 2.04137e+02 5.31386e+00 2.37608e+02 315.613 4.58557e+01  -4.48846e+01 0.00000e+00 0.00000e+00 2.78770e+02 315.613 4.11617e+01 315.613 0.9922 
1 1 1 16 12 31 o 15 8.20132e+01 8.17437e+00 1.44411e+02 110.071 -5.66569e+00 1.55069e+01  0.00000e+00 0.00000e+00 5.72018e+01 110.071 8.72089e+01 290.071 0.9692 
1 1 1 16 12 32 o 18 6.72663e+01 1.03034e+01 9.97627e+01 83.916  9.41212e-01  8.83067e+00  0.00000e+00 0.00000e+00 6.04983e+01 83.916  3.92644e+01 263.916 0.9419 
1 1 1 16 12 33 o 3  7.42116e+01 9.64298e+00 9.96355e+01 127.751 -5.83736e+00 7.53889e+00  0.00000e+00 0.00000e+00 7.74483e+01 127.751 2.21873e+01 307.751 0.9460 
1 1 1 16 12 34 f 0  1.38562e+02 5.57875e+00 1.39792e+02 58.787  1.51985e+01  2.50827e+01  0.00000e+00 0.00000e+00 2.02713e+02 58.787  6.29217e+01 58.787  0.9828 
1 1 1 16 12 35 o 11 1.28916e+02 6.21445e+00 1.69794e+02 271.966 1.15673e+00  -3.37035e+01 0.00000e+00 0.00000e+00 1.48649e+02 271.966 2.11452e+01 91.966  0.9851 
1 1 1 16 12 36 o 10 1.02272e+02 6.88389e+00 1.17351e+02 41.816  1.51759e+01  1.35763e+01  0.00000e+00 0.00000e+00 1.31967e+02 41.816  1.46167e+01 41.816  0.9751 
1 1 1 16 12 37 o 11 6.70181e+01 1.03620e+01 9.97328e+01 53.414  5.99073e+00  8.07068e+00  0.00000e+00 0.00000e+00 5.87434e+01 53.414  4.09894e+01 233.414 0.9489 
1 1 1 16 12 38 o 19 6.37932e+01 1.05427e+01 5.28960e+01 243.645 -2.17870e+00 -4.39761e+00 0.00000e+00 0.00000e+00 8.83283e+01 243.645 3.54323e+01 243.645 0.8912 
1 1 1 16 12 39 o 8  1.27446e+02 6.59251e+00 1.19267e+02 11.873  2.81475e+01  5.91780e+00  0.00000e+00 0.00000e+00 1.90731e+02 11.873  7.14636e+01 11.873  0.9825 
1 1 1 16 12 40 o 10 9.40959e+01 8.63463e+00 6.35703e+01 202.138 -9.59589e+00 -3.90392e+00 0.00000e+00 0.00000e+00 1.57094e+02 202.138 9.35236e+01 202.138 0.9504 
1 1 1 16 12 41 f 0  8.04642e+01 9.21969e+00 1.10026e+02 174.797 -1.62805e+01 1.48255e+00  0.00000e+00 0.00000e+00 8.16689e+01 174.797 2.83567e+01 354.797 0.9689 
1 1 1 16 12 42 o 1  4.45668e+01 1.15151e+01 6.62676e+01 266.630 -3.07276e-01 -5.21874e+00 0.00000e+00 0.00000e+00 3.18285e+01 266.630 3.44391e+01 86.630  0.8984 
1 1 1 16 12 43 o 17 8.48086e+01 8.79733e+00 8.02822e+01 181.074 -1.42181e+01 -2.66650e-01 0.00000e+00 0.00000e+00 1.19321e+02 181.074 3.90390e+01 181.074 0.9642 
1 1 1 16 12 44 o 18 9.84195e+01 7.74070e+00 7.40969e+01 114.178 -6.95543e+00 1.54922e+01  0.00000e+00 0.00000e+00 1.58091e+02 114.178 8.39937e+01 114.178 0.9701 
1 1 1 16 12 45 o 7  4.00557e+01 1.11793e+01 1.63170e+01 278.110 1.94661e-01  -1.36608e+00 0.00000e+00 0.00000e+00 3.85099e+01 278.110 2.21929e+01 278.110 0.5650 
1 1 1 16 12 46 o 16 5.26218e+01 1.18623e+01 3.66694e+01 21.830  3.72430e+00  1.49190e+00  0.00000e+00 0.00000e+00 7.30396e+01 21.830  3.63702e+01 21.830  0.8640 
1 1 1 16 12 47 o 13 9.07155e+01 8.67103e+00 8.48393e+01 318.675 1.56874e+01  -1.37939e+01 0.00000e+00 0.00000e+00 1.27903e+02 318.675 4.30640e+01 318.675 0.9758 
1 1 1 16 13 0  o 9  1.55967e+02 7.16277e+00 1.24801e+02 0.000   7.49857e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.88998e+02 0.000   1.64197e+02 0.000   1.0000 
1 1 1 16 13 1  o 3  9.67537e+01 7.19439e+00 1.05748e+02 100.835 -1.44296e+00 7.53908e+00  0.00000e+00 0.00000e+00 1.33583e+02 100.835 2.78355e+01 100.835 0.9324 
1 1 1 16 13 2  o 2  3.44115e+01 1.02897e+01 4.90120e+01 179.478 -1.19960e+00 1.09354e-02  0.00000e+00 0.00000e+00 2.21418e+00 359.478 5.12262e+01 359.478 0.5127 
1 1 1 16 13 3  o 18 6.02056e+01 1.05551e+01 1.37588e+02 256.490 -1.36744e+00 -5.69141e+00 0.00000e+00 0.00000e+00 7.71531e+00 256.490 1.29873e+02 76.490  0.9100 
1 1 1 16 13 4  o 3  5.33978e+01 1.19723e+01 7.35788e+01 221.022 -2.02998e+00 -1.76599e+00 0.00000e+00 0.00000e+00 3.74476e+01 221.022 3.61312e+01 41.022  0.7842 
1 1 1 16 13 5  o 4  5.59970e+01 1.15971e+01 1.16762e+02 9.995   4.53948e+00  7.99996e-01  0.00000e+00 0.00000e+00 1.43497e+01 9.995   1.02412e+02 189.995 0.8835 
1 1 1 16 13 6  o 4  4.81149e+01 1.09290e+01 1.22033e+02 157.591 -3.86991e+00 1.59575e+00  0.00000e+00 0.00000e+00 1.11058e+01 337.591 1.33138e+02 337.591 0.8703 
1 1 1 16 13 7  o 1  6.51673e+01 1.11371e+01 1.11935e+02 16.729  4.94160e+00  1.48530e+00  0.00000e+00 0.00000e+00 4.28198e+01 16.729  6.91152e+01 196.729 0.8970 
1 1 1 16 13 8  o 19 4.67431e+01 1.15315e+01 1.46540e+02 134.454 -3.35190e+00 3.41634e+00  0.00000e+00 0.00000e+00 3.66964e+01 314.454 1.83236e+02 314.454 0.8882 
1 1 1 16 13 9  o 17 1.59745e+02 4.99075e+00 1.20360e+02 249.194 -5.27475e+00 -1.38814e+01 0.00000e+00 0.00000e+00 2.87507e+02 249.194 1.67147e+02 249.194 0.9657 
1 1 1 16 13 10 o 18 2.05507e+02 4.49171e+00 1.96261e+02 101.236 -6.70711e+00 3.37629e+01  0.00000e+00 0.00000e+00 3.38683e+02 101.236 1.42422e+02 101.236 0.9854 
1 1 1 16 13 11 o 15 1.55175e+02 5.05211e+00 1.95452e+02 48.068  1.70858e+01  1.90213e+01  0.00000e+00 0.00000e+00 2.06011e+02 48.068  1.05591e+01 48.068  0.9802 
1 1 1 16 13 12 o 11 1.22552e+02 5.56768e+00 1.66614e+02 350.655 1.67674e+01  -2.75935e+00 0.00000e+00 0.00000e+00 1.46861e+02 350.655 1.97531e+01 170.655 0.9701 
1 1 1 16 13 13 o 18 1.71815e+02 4.61578e+00 2.43003e+02 103.873 -8.14975e+00 3.29975e+01  0.00000e+00 0.00000e+00 2.02824e+02 103.873 4.01790e+01 283.873 0.9852 
1 1 1 16 13 14 o 11 7.09236e+01 9.23067e+00 9.22277e+01 28.009  4.36711e+00  2.32295e+00  0.00000e+00 0.00000e+00 7.42294e+01 28.009  1.79983e+01 208.009 0.8921 
1 1 1 16 13 15 o 15 2.07803e+02 4.18609e+00 2.46174e+02 196.086 -3.95096e+01 -1.13936e+01 0.00000e+00 0.00000e+00 2.93146e+02 196.086 4.69715e+01 196.086 0.9878 
1 1 1 16 13 16 o 18 6.92676e+01 9.26792e+00 1.06827e+02 42.884  5.07165e+00  4.71018e+00  0.00000e+00 0.00000e+00 6.12335e+01 42.884  4.55936e+01 222.884 0.9246 
1 1 1 16 13 17 o 13 1.39971e+02 5.13955e+00 1.59116e+02 210.735 -1.91411e+01 -1.13809e+01 0.00000e+00 0.00000e+00 1.99311e+02 210.735 4.01954e+01 210.735 0.9773 
1 1 1 16 13 18 o 15 1.43338e+02 5.86472e+00 1.94674e+02 306.358 1.46185e+01  -1.98586e+01 0.00000e+00 0.00000e+00 1.72657e+02 306.358 2.20167e+01 126.358 0.9795 
1 1 1 16 13 19 o 5  5.72929e+01 1.14666e+01 4.71859e+01 18.486  2.47749e+00  8.28297e-01  0.00000e+00 0.00000e+00 6.90486e+01 18.486  2.18627e+01 18.486  0.7767 
1 1 1 16 13 20 o 5  3.92800e+01 1.13141e+01 1.03688e+01 114.838 -1.64563e-01 3.55524e-01  0.00000e+00 0.00000e+00 9.32031e+00 114.838 1.04848e+00 294.838 0.1922 
1 1 1 16 13 21 o 7  1.57695e+02 5.59839e+00 1.82113e+02 82.968  3.99084e+00  3.23545e+01  0.00000e+00 0.00000e+00 2.22041e+02 82.968  3.99276e+01 82.968  0.9845 
1 1 1 16 13 22 o 13 1.59823e+02 5.54218e+00 1.85634e+02 139.014 -2.51516e+01 2.18532e+01  0.00000e+00 0.00000e+00 2.23353e+02 139.014 3.77199e+01 139.014 0.9849 
1 1 1 16 13 23 o 1  7.16586e+01 9.44132e+00 1.28513e+02 256.430 -2.13992e+00 -8.86536e+00 0.00000e+00 0.00000e+00 4.68118e+01 256.430 8.17009e+01 76.429  0.9435 
1 1 1 16 13 24 o 9  1.17845e+02 6.19342e+00 1.49160e+02 176.814 -2.18974e+01 1.21885e+00  0.00000e+00 0.00000e+00 1.48788e+02 176.814 3.72076e-01 356.814 0.9769 
1 1 1 16 13 25 o 19 6.81286e+01 9.92691e+00 9.23729e+01 287.330 2.10833e+00  -6.75652e+00 0.00000e+00 0.00000e+00 7.06209e+01 287.330 2.17520e+01 107.330 0.9264 
1 1 1 16 13 26 o 17 3.11886e+01 1.01999e+01 4.71179e+01 296.387 7.71736e-01  -1.55554e+00 0.00000e+00 0.00000e+00 5.07302e+00 296.387 4.20449e+01 116.387 0.6494 
1 1 1 16 13 28 o 11 9.99082e+01 7.15929e+00 1.21627e+02 343.931 1.69316e+01  -4.87702e+00 0.00000e+00 0.00000e+00 1.27246e+02 343.931 5.61916e+00 343.931 0.9712 
1 1 1 16 13 29 o 16 1.15631e+02 6.24963e+00 1.51030e+02 158.331 -2.45215e+01 9.74276e+00  0.00000e+00 0.00000e+00 1.39161e+02 158.331 1.18691e+01 338.331 0.9809 
1 1 1 16 13 30 o 15 1.15680e+02 6.39137e+00 1.41876e+02 344.864 2.26555e+01  -6.12815e+00 0.00000e+00 0.00000e+00 1.46990e+02 344.864 5.11367e+00 344.864 0.9785 
1 1 1 16 13 31 o 17 1.48045e+02 5.48654e+00 1.33181e+02 325.800 2.34377e+01  -1.59283e+01 0.00000e+00 0.00000e+00 2.36940e+02 325.800 1.03759e+02 325.800 0.9822 
1 1 1 16 13 32 o 1  4.19753e+01 1.15447e+01 2.60626e+01 129.225 -8.76750e-01 1.07404e+00  0.00000e+00 0.00000e+00 3.43300e+01 129.225 8.26735e+00 129.225 0.5668 
1 1 1 16 13 33 o 12 3.88301e+01 1.13440e+01 5.95349e+01 11.697  2.97253e+00  6.15441e-01  0.00000e+00 0.00000e+00 2.03363e+01 11.697  3.91986e+01 191.697 0.8126 
1 1 1 16 13 34 o 10 4.08292e+01 1.14098e+01 3.29880e+01 214.140 -1.61078e+00 -1.09221e+00 0.00000e+00 0.00000e+00 3.79895e+01 214.140 5.00156e+00 214.140 0.6887 
1 1 1 16 13 35 f 0  4.55274e+01 1.16978e+01 7.66066e+01 110.860 -1.77298e+00 4.65266e+00  0.00000e+00 0.00000e+00 2.56944e+01 110.860 5.09122e+01 290.860 0.8929 
1 1 1 16 13 36 o 14 5.87197e+01 1.13719e+01 6.98157e+01 254.943 -1.50386e+00 -5.59012e+00 0.00000e+00 0.00000e+00 6.40902e+01 254.943 5.72542e+00 74.943  0.9089 
1 1 1 16 13 37 o 10 7.39916e+01 9.71203e+00 9.98646e+01 222.943 -9.18308e+00 -8.54643e+00 0.00000e+00 0.00000e+00 7.76504e+01 222.943 2.22142e+01 42.943  0.9593 
1 1 1 16 13 38 o 18 4.56267e+01 1.15769e+01 2.85587e+01 184.193 -2.02414e+00 -1.48403e-01 0.00000e+00 0.00000e+00 5.13536e+01 184.193 2.27949e+01 184.193 0.7026 
1 1 1 16 13 39 o 17 5.37080e+01 1.17923e+01 5.98118e+01 109.178 -1.74239e+00 5.00970e+00  0.00000e+00 0.00000e+00 6.02866e+01 109.178 4.74763e-01 109.178 0.9000 
1 1 1 16 13 40 o 13 9.88021e+01 7.69758e+00 1.26963e+02 107.856 -8.15506e+00 2.53145e+01  0.00000e+00 0.00000e+00 1.13045e+02 107.856 1.39181e+01 287.856 0.9810 
1 1 1 16 13 41 o 11 7.66008e+01 1.22067e+01 1.10126e+02 96.785  -1.76761e+00 1.48574e+01  0.00000e+00 0.00000e+00 7.24594e+01 96.785  3.76667e+01 276.785 0.9660 
1 1 1 16 13 42 o 11 7.36795e+01 1.09244e+01 8.12155e+01 125.252 -6.92234e+00 9.79402e+00  0.00000e+00 0.00000e+00 9.22168e+01 125.252 1.10013e+01 125.252 0.9574 
1 1 1 16 13 43 f 0  8.41530e+01 1.07772e+01 9.00461e+01 131.088 -1.08186e+01 1.24070e+01  0.00000e+00 0.00000e+00 1.09742e+02 131.088 1.96962e+01 131.088 0.9691 
1 1 1 16 13 44 o 17 4.11044e+01 1.16380e+01 2.74990e+01 293.085 9.38694e-01  -2.20235e+00 0.00000e+00 0.00000e+00 4.80362e+01 293.085 2.05371e+01 293.085 0.7530 
1 1 1 16 13 45 o 12 8.87439e+01 9.61170e+00 8.80502e+01 6.448   1.80393e+01  2.03869e+00  0.00000e+00 0.00000e+00 1.21674e+02 6.448   3.36240e+01 6.448   0.9721 
1 1 1 16 14 0  o 16 1.63353e+02 6.79938e+00 1.65362e+02 180.000 -1.10649e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.69701e+02 180.000 1.04340e+02 180.000 1.0000 
1 1 1 16 14 1  o 7  1.05653e+02 6.52489e+00 2.00628e+02 19.394  1.60349e+01  5.64484e+00  0.00000e+00 0.00000e+00 7.23411e+01 19.394  1.28287e+02 199.394 0.9701 
1 1 1 16 14 2  o 18 2.00557e+02 4.63476e+00 2.40112e+02 39.114  3.06284e+01  2.49035e+01  0.00000e+00 0.00000e+00 2.87136e+02 39.114  4.70238e+01 39.114  0.9873 
1 1 1 16 14 3  o 2  1.40426e+02 5.37127e+00 1.72609e+02 306.338 1.16624e+01  -1.58542e+01 0.00000e+00 0.00000e+00 1.91621e+02 306.338 1.90122e+01 306.338 0.9743 
1 1 1 16 14 4  o 1  2.57462e+02 3.96970e+00 2.69815e+02 85.405  4.57404e+00  5.69127e+01  0.00000e+00 0.00000e+00 4.09390e+02 85.405  1.39575e+02 85.405  0.9912 
1 1 1 16 14 5  o 17 1.68112e+02 4.93793e+00 1.73543e+02 111.975 -8.86561e+00 2.19704e+01  0.00000e+00 0.00000e+00 2.64168e+02 111.975 9.06258e+01 111.975 0.9787 
1 1 1 16 14 6  o 16 6.66121e+01 1.00173e+01 7.12170e+01 77.484  7.69280e-01  3.46530e+00  0.00000e+00 0.00000e+00 7.82233e+01 77.484  7.00628e+00 77.484  0.8437 
1 1 1 16 14 7  o 19 5.42971e+01 1.09355e+01 2.23655e+01 323.653 8.92071e-01  -6.56416e-01 0.00000e+00 0.00000e+00 4.73633e+01 323.653 2.49977e+01 323.653 0.4832 
1 1 1 16 14 8  o 17 1.97338e+02 4.21586e+00 1.59510e+02 201.946 -3.02486e+01 -1.21878e+01 0.00000e+00 0.00000e+00 3.56516e+02 201.946 1.97006e+02 201.946 0.9845 
1 1 1 16 14 9  o 14 2.14206e+02 4.11900e+00 2.21151e+02 314.887 3.45089e+01  -3.46452e+01 0.00000e+00 0.00000e+00 3.41515e+02 314.887 1.20364e+02 314.887 0.9897 
1 1 1 16 14 10 o 17 1.32829e+02 5.38152e+00 1.44766e+02 204.335 -1.77006e+01 -8.00513e+00 0.00000e+00 0.00000e+00 1.98289e+02 204.335 5.35231e+01 204.335 0.9739 
1 1 1 16 14 11 o 13 9.96182e+01 6.94032e+00 1.37765e+02 93.832  -8.11687e-01 1.21173e+01  0.00000e+00 0.00000e+00 1.15058e+02 93.832  2.27076e+01 273.832 0.9579 
1 1 1 16 14 12 o 13 1.92727e+02 4.48303e+00 2.18987e+02 346.497 3.73030e+01  -8.95757e+00 0.00000e+00 0.00000e+00 2.84435e+02 346.497 6.54486e+01 346.497 0.9869 
1 1 1 16 14 13 o 4  6.89677e+01 1.01988e+01 1.31673e+02 112.492 -2.84998e+00 6.88316e+00  0.00000e+00 0.00000e+00 3.79545e+01 112.492 9.37186e+01 292.492 0.9302 
1 1 1 16 14 14 o 19 1.90730e+02 4.75106e+00 2.42802e+02 30.868  4.48534e+01  2.68104e+01  0.00000e+00 0.00000e+00 2.56055e+02 30.868  1.32528e+01 30.868  0.9904 
1 1 1 16 14 15 o 6  1.44828e+02 5.65351e+00 2.41033e+02 90.269  -1.81317e-01 3.85467e+01  0.00000e+00 0.00000e+00 1.35976e+02 90.269  1.05057e+02 270.269 0.9869 
1 1 1 16 14 16 o 7  3.83374e+01 1.07847e+01 3.43640e+01 28.015  1.18432e+00  6.30118e-01  0.00000e+00 0.00000e+00 2.16257e+01 28.015  1.27382e+01 208.015 0.5544 
1 1 1 16 14 17 o 19 8.49873e+01 8.04399e+00 7.01618e+01 311.959 4.32492e+00  -4.81018e+00 0.00000e+00 0.00000e+00 1.35292e+02 311.959 6.51302e+01 311.959 0.9191 
1 1 1 16 14 18 f 0  3.65305e+01 1.07026e+01 1.75582e+01 107.130 -1.83844e-01 5.96500e-01  0.00000e+00 0.00000e+00 1.10152e+01 107.130 6.54300e+00 287.130 0.2978 
1 1 1 16 14 19 o 13 1.54500e+02 4.84058e+00 2.01270e+02 286.091 9.39732e+00  -3.25758e+01 0.00000e+00 0.00000e+00 1.97834e+02 286.091 3.43527e+00 106.092 0.9851 
1 1 1 16 14 20 o 13 1.09931e+02 6.16427e+00 1.48669e+02 253.321 -5.91209e+00 -1.97328e+01 0.00000e+00 0.00000e+00 1.32030e+02 253.321 1.66390e+01 73.321  0.9754 
1 1 1 16 14 21 o 10 8.41299e+01 7.45266e+00 1.36118e+02 162.969 -1.32797e+01 4.06785e+00  0.00000e+00 0.00000e+00 7.56559e+01 162.969 6.04624e+01 342.969 0.9633 
1 1 1 16 14 22 o 10 1.53330e+02 5.18806e+00 1.88212e+02 215.143 -3.20395e+01 -2.25533e+01 0.00000e+00 0.00000e+00 2.06582e+02 215.143 1.83699e+01 215.143 0.9872 
1 1 1 16 14 24 o 1  3.29836e+01 1.03881e+01 1.03412e+02 36.884  2.59887e+00  1.95015e+00  0.00000e+00 0.00000e+00 3.25602e+01 216.884 1.35973e+02 216.884 0.8268 
1 1 1 16 14 25 f 0  8.53828e+01 8.61764e+00 7.98332e+01 74.775  2.49966e+00  9.18426e+00  0.00000e+00 0.00000e+00 1.29547e+02 74.775  4.97143e+01 74.775  0.9459 
1 1 1 16 14 26 o 14 4.19615e+01 1.10452e+01 7.65648e+01 83.446  4.79560e-01  4.17382e+00  0.00000e+00 0.00000e+00 1.79604e+01 83.446  5.86044e+01 263.446 0.8708 
1 1 1 16 14 27 o 4  5.13581e+01 1.18471e+01 5.40598e+01 273.571 2.10385e-01  -3.37094e+00 0.00000e+00 0.00000e+00 5.65440e+01 273.571 2.48420e+00 273.571 0.8344 
1 1 1 16 14 28 o 12 4.40876e+01 1.24690e+01 3.72076e+01 308.863 1.21057e+00  -1.50225e+00 0.00000e+00 0.00000e+00 4.06426e+01 308.863 3.43496e+00 308.863 0.6858 
1 1 1 16 14 29 o 18 4.13052e+01 1.16567e+01 2.28874e+01 191.842 -1.17640e+00 -2.46664e-01 0.00000e+00 0.00000e+00 3.15786e+01 191.842 8.69126e+00 191.842 0.5134 
1 1 1 16 14 30 o 13 4.24551e+01 1.19902e+01 6.90452e+01 253.775 -1.05775e+00 -3.63493e+00 0.00000e+00 0.00000e+00 2.39219e+01 253.775 4.51232e+01 73.775  0.8547 
1 1 1 16 14 31 o 10 4.34861e+01 1.16878e+01 1.05463e+02 71.456  2.10143e+00  6.26466e+00  0.00000e+00 0.00000e+00 3.14077e+00 251.456 1.08604e+02 251.456 0.9209 
1 1 1 16 14 32 f 0  3.98176e+01 1.08308e+01 4.27845e+01 44.771  1.80855e+00  1.79416e+00  0.00000e+00 0.00000e+00 3.53502e+01 44.771  7.43430e+00 224.771 0.7701 
1 1 1 16 14 33 o 12 6.02424e+01 1.10906e+01 5.35891e+01 327.389 3.92908e+00  -2.51380e+00 0.00000e+00 0.00000e+00 8.18841e+01 327.389 2.82950e+01 327.389 0.8850 
1 1 1 16 14 34 o 15 3.75938e+01 1.11200e+01 4.11303e+01 188.932 -2.46999e+00 -3.88225e-01 0.00000e+00 0.00000e+00 3.17420e+01 188.932 9.38826e+00 8.932   0.7650 
1 1 1 16 14 35 o 19 1.10854e+02 8.33349e+00 8.42084e+01 175.272 -1.66472e+01 1.37693e+00  0.00000e+00 0.00000e+00 1.87319e+02 175.272 1.03111e+02 175.272 0.9696 
1 1 1 16 14 36 f 0  7.29105e+01 1.04221e+01 6.21062e+01 13.651  7.21710e+00  1.75284e+00  0.00000e+00 0.00000e+00 1.08668e+02 13.651  4.65618e+01 13.651  0.9300 
1 1 1 16 14 37 o 19 7.38027e+01 1.06413e+01 1.55218e+02 209.493 -1.74117e+01 -9.84829e+00 0.00000e+00 0.00000e+00 2.53778e+01 209.493 1.29841e+02 29.493  0.9747 
1 1 1 16 14 38 f 0  3.39374e+01 1.06863e+01 1.34907e+01 30.992  7.28641e-01  4.37675e-01  0.00000e+00 0.00000e+00 1.96926e+01 30.992  6.20183e+00 30.992  0.3907 
1 1 1 16 14 39 o 11 4.07369e+01 1.12043e+01 5.68313e+01 293.504 1.72993e+00  -3.97787e+00 0.00000e+00 0.00000e+00 3.21100e+01 293.504 2.47213e+01 113.504 0.8754 
1 1 1 16 14 40 o 12 3.42003e+01 1.07236e+01 2.41903e+01 265.060 -1.45217e-01 -1.68002e+00 0.00000e+00 0.00000e+00 3.01259e+01 265.060 5.93552e+00 265.060 0.6389 
1 1 1 16 14 41 o 7  4.53982e+01 1.24096e+01 3.43585e+01 35.979  2.49531e+00  1.81156e+00  0.00000e+00 0.00000e+00 5.74004e+01 35.979  2.30419e+01 35.979  0.8160 
1 1 1 16 14 42 o 17 3.49132e+01 1.10370e+01 2.37785e+01 64.213  7.95361e-01  1.64623e+00  0.00000e+00 0.00000e+00 3.37380e+01 64.213  9.95946e+00 64.213  0.6675 
1 1 1 16 14 43 o 2  4.36500e+01 1.19850e+01 6.71468e+01 3.223   5.95719e+00  3.35443e-01  0.00000e+00 0.00000e+00 3.07314e+01 3.223   3.64155e+01 183.223 0.9118 
1 1 1 16 15 0  o 18 1.00763e+02 9.83343e+00 8.29237e+01 0.000   4.59418e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.86495e+02 0.000   1.03571e+02 0.000   0.9998 
1 1 1 16 15 1  o 15 4.58413e+01 1.12675e+01 8.00440e+01 287.629 1.09512e+00  -3.44628e+00 0.00000e+00 0.00000e+00 2.37823e+01 287.629 5.62617e+01 107.629 0.8469 
1 1 1 16 15 2  o 13 3.31835e+01 1.03478e+01 4.27089e+01 39.774  1.10155e+00  9.16916e-01  0.00000e+00 0.00000e+00 8.68140e+00 39.774  3.40275e+01 219.773 0.5792 
1 1 1 16 15 3  o 3  1.11950e+02 6.21281e+00 1.10676e+02 254.966 -3.57713e+00 -1.33183e+01 0.00000e+00 0.00000e+00 1.77536e+02 254.966 6.68602e+01 254.966 0.9630 
1 1 1 16 15 4  o 4  9.97875e+01 7.21499e+00 1.07580e+02 103.247 -2.67938e+00 1.13815e+01  0.00000e+00 0.00000e+00 1.47428e+02 103.247 3.98478e+01 103.247 0.9562 
1 1 1 16 15 5  o 9  6.34232e+01 1.08901e+01 6.12214e+01 114.113 -1.57194e+00 3.51203e+00  0.00000e+00 0.00000e+00 8.40494e+01 114.113 2.28280e+01 114.113 0.8574 
1 1 1 16 15 6  o 14 5.32486e+01 1.11786e+01 4.71216e+01 70.279  8.29936e-01  2.31525e+00  0.00000e+00 0.00000e+00 6.10114e+01 70.279  1.38897e+01 70.279  0.7605 
1 1 1 16 15 7  o 16 1.03755e+02 6.57752e+00 1.09121e+02 327.160 1.04051e+01  -6.71600e+00 0.00000e+00 0.00000e+00 1.56342e+02 327.160 4.72208e+01 327.160 0.9587 
1 1 1 16 15 8  o 7  9.11337e+01 7.28949e+00 1.25888e+02 268.466 -3.45332e-01 -1.28957e+01 0.00000e+00 0.00000e+00 1.07542e+02 268.466 1.83451e+01 88.466  0.9604 
1 1 1 16 15 9  o 13 6.04088e+01 1.03183e+01 8.19387e+01 306.519 3.05457e+00  -4.12507e+00 0.00000e+00 0.00000e+00 6.23682e+01 306.519 1.95705e+01 126.519 0.8964 
1 1 1 16 15 10 o 1  6.82352e+01 9.73141e+00 9.81328e+01 2.884   7.01726e+00  3.53542e-01  0.00000e+00 0.00000e+00 7.00871e+01 2.884   2.80457e+01 182.884 0.9258 
1 1 1 16 15 11 o 17 5.52481e+01 1.07400e+01 5.02267e+01 50.431  1.79396e+00  2.17090e+00  0.00000e+00 0.00000e+00 6.66864e+01 50.431  1.64597e+01 50.431  0.7954 
1 1 1 16 15 12 o 17 8.85272e+01 7.58038e+00 9.92418e+01 220.828 -7.03094e+00 -6.07503e+00 0.00000e+00 0.00000e+00 1.22996e+02 220.828 2.37545e+01 220.828 0.9446 
1 1 1 16 15 13 o 12 5.90079e+01 9.40432e+00 1.01939e+02 103.993 -1.46511e+00 5.87932e+00  0.00000e+00 0.00000e+00 4.11340e+01 103.993 6.08045e+01 283.993 0.9133 
1 1 1 16 15 14 o 8  1.05919e+02 6.25602e+00 8.93560e+01 276.248 1.31412e+00  -1.20028e+01 0.00000e+00 0.00000e+00 1.79626e+02 276.248 9.02702e+01 276.248 0.9577 
1 1 1 16 15 15 o 8  1.21854e+02 5.72068e+00 9.96449e+01 291.699 5.74768e+00  -1.44439e+01 0.00000e+00 0.00000e+00 2.12524e+02 291.699 1.12880e+02 291.699 0.9673 
1 1 1 16 15 16 o 9  4.57621e+01 1.09036e+01 8.60855e+01 330.576 3.80758e+00  -2.14760e+00 0.00000e+00 0.00000e+00 1.99963e+01 330.576 6.60892e+01 150.576 0.8764 
1 1 1 16 15 17 o 10 1.89984e+02 4.37044e+00 1.78358e+02 349.643 4.64690e+01  -8.49268e+00 0.00000e+00 0.00000e+00 3.18087e+02 349.643 1.39729e+02 349.643 0.9894 
1 1 1 16 15 20 o 18 5.44189e+01 1.14660e+01 3.89295e+01 225.178 -1.91559e+00 -1.92751e+00 0.00000e+00 0.00000e+00 7.36061e+01 225.178 3.46767e+01 225.178 0.7867 
1 1 1 16 15 21 o 12 9.42188e+01 8.89220e+00 1.13360e+02 209.888 -1.29126e+01 -7.42132e+00 0.00000e+00 0.00000e+00 1.25414e+02 209.888 1.20548e+01 209.888 0.9658 
1 1 1 16 15 22 o 2  1.41926e+02 6.63521e+00 1.84212e+02 227.935 -2.66614e+01 -2.95427e+01 0.00000e+00 0.00000e+00 1.82802e+02 227.935 1.41012e+00 47.935  0.9874 
1 1 1 16 15 23 o 8  3.88560e+01 1.16312e+01 8.51715e+01 54.630  2.44606e+00  3.44574e+00  0.00000e+00 0.00000e+00 3.36335e+00 54.630  8.18081e+01 234.630 0.8717 
1 1 1 16 15 24 o 5  6.49637e+01 1.15438e+01 5.02723e+01 82.417  5.30032e-01  3.98128e+00  0.00000e+00 0.00000e+00 9.61756e+01 82.417  4.59033e+01 82.417  0.8642 
1 1 1 16 15 25 o 11 7.94587e+01 9.85844e+00 1.22840e+02 296.685 6.02807e+00  -1.19932e+01 0.00000e+00 0.00000e+00 7.61455e+01 296.685 4.66942e+01 116.685 0.9620 
1 1 1 16 15 26 o 8  5.88145e+01 1.09046e+01 8.24836e+01 65.115  2.78711e+00  6.00833e+00  0.00000e+00 0.00000e+00 5.82268e+01 65.115  2.42568e+01 245.115 0.9211 
1 1 1 16 15 27 o 2  4.32287e+01 1.14607e+01 5.86557e+01 185.626 -3.33736e+00 -3.28789e-01 0.00000e+00 0.00000e+00 3.46720e+01 185.626 2.39837e+01 5.626   0.8331 
1 1 1 16 15 28 o 12 4.03004e+01 1.12748e+01 5.01599e+01 134.337 -2.07981e+00 2.12849e+00  0.00000e+00 0.00000e+00 3.40472e+01 134.337 1.61128e+01 314.337 0.8082 
1 1 1 16 15 29 o 10 5.34947e+01 1.16584e+01 5.06834e+01 54.349  2.29293e+00  3.19672e+00  0.00000e+00 0.00000e+00 6.80958e+01 54.349  1.74124e+01 54.349  0.8609 
1 1 1 16 15 30 o 1  4.33635e+01 1.14292e+01 4.59178e+01 350.456 2.81498e+00  -4.73307e-01 0.00000e+00 0.00000e+00 4.31704e+01 350.456 2.74743e+00 170.456 0.7986 
1 1 1 16 15 31 o 14 8.41316e+01 9.14680e+00 1.33562e+02 89.856  5.00080e-02  1.99589e+01  0.00000e+00 0.00000e+00 7.68178e+01 89.856  5.67442e+01 269.856 0.9746 
1 1 1 16 15 32 o 1  1.05586e+02 7.88109e+00 1.30974e+02 282.820 5.64371e+00  -2.48013e+01 0.00000e+00 0.00000e+00 1.33830e+02 282.820 2.85630e+00 282.820 0.9801 
1 1 1 16 15 33 o 16 3.98784e+01 1.14247e+01 5.40098e+01 59.248  1.74297e+00  2.92939e+00  0.00000e+00 0.00000e+00 3.10756e+01 59.248  2.29342e+01 239.248 0.8362 
1 1 1 16 15 34 o 16 9.11503e+01 9.42979e+00 1.05463e+02 249.062 -6.40674e+00 -1.67444e+01 0.00000e+00 0.00000e+00 1.19881e+02 249.062 1.44180e+01 249.062 0.9717 
1 1 1 16 15 35 o 17 6.23510e+01 1.30419e+01 8.86207e+01 272.541 4.05517e-01  -9.13778e+00 0.00000e+00 0.00000e+00 6.06296e+01 272.541 2.79912e+01 92.541  0.9436 
1 1 1 16 15 36 o 5  3.72517e+01 1.13916e+01 5.90964e+01 186.712 -4.09626e+00 -4.82037e-01 0.00000e+00 0.00000e+00 2.26885e+01 186.712 3.64079e+01 6.712   0.8681 
1 1 1 16 15 37 o 8  4.18367e+01 1.18327e+01 4.89603e+01 187.761 -3.91516e+00 -5.33628e-01 0.00000e+00 0.00000e+00 4.19143e+01 187.761 7.04603e+00 7.761   0.8616 
1 1 1 16 15 38 o 4  3.69013e+01 1.11893e+01 2.00508e+01 82.164  2.00363e-01  1.45598e+00  0.00000e+00 0.00000e+00 3.45236e+01 82.164  1.44728e+01 82.164  0.5886 
1 1 1 16 15 39 o 18 5.38824e+01 1.14715e+01 5.58157e+01 331.032 5.50254e+00  -3.04612e+00 0.00000e+00 0.00000e+00 6.78822e+01 331.032 1.20666e+01 331.032 0.9166 
1 1 1 16 15 40 o 8  3.19649e+01 1.03927e+01 1.60810e+01 122.692 -6.35935e-01 9.90891e-01  0.00000e+00 0.00000e+00 2.42676e+01 122.692 8.18663e+00 122.692 0.5057 
1 1 1 16 15 41 o 19 3.59878e+01 1.12969e+01 4.81077e+01 156.823 -3.72133e+00 1.59320e+00  0.00000e+00 0.00000e+00 2.93503e+01 156.823 1.87574e+01 336.823 0.8653 
1 1 1 16 16 0  o 4  1.49123e+02 1.07144e+01 1.51471e+02 180.000 -7.40567e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.49093e+02 180.000 9.76213e+01 180.000 1.0000 
1 1 1 16 16 1  o 7  5.76432e+01 1.83929e+01 7.34334e+01 270.000 -1.36225e-16 -2.22472e+00 0.00000e+00 0.00000e+00 7.78209e+01 270.000 4.38750e+00 270.000 0.9769 
1 1 1 16 16 2  o 8  7.47607e+01 1.38093e+01 1.42209e+02 180.000 -6.23340e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.85722e+01 180.000 8.36368e+01 0.000   1.0000 
1 1 1 16 16 3  o 16 3.26768e+01 1.84555e+01 3.34823e+01 90.000  3.50980e-17  5.73194e-01  0.00000e+00 0.00000e+00 1.19410e+01 90.000  2.15413e+01 270.000 0.5177 
1 1 1 16 16 4  o 7  1.51350e+02 7.28260e+00 2.23896e+02 0.000   2.22146e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.82370e+02 0.000   4.15260e+01 180.000 1.0000 
1 1 1 16 16 5  o 6  2.56700e+01 1.63314e+01 2.08992e+01 90.000  1.80930e-17  2.95481e-01  0.00000e+00 0.00000e+00 1.11920e+00 270.000 2.20184e+01 270.000 0.2872 
1 1 1 16 16 6  o 5  2.60070e+01 1.64364e+01 6.30349e+01 0.000   8.98561e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.31220e+01 180.000 7.61569e+01 180.000 0.7156 
1 1 1 16 16 7  o 14 2.38580e+01 1.55539e+01 8.79927e+00 90.000  7.17528e-18  1.17181e-01  0.00000e+00 0.00000e+00 1.33960e+00 270.000 1.01389e+01 270.000 0.1166 
1 1 1 16 16 8  o 4  1.12243e+02 8.97491e+00 2.63235e+02 0.000   2.01501e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.74332e+01 0.000   2.25802e+02 180.000 1.0000 
1 1 1 16 16 9  o 11 4.24388e+01 1.94017e+01 4.37752e+01 270.000 -6.08818e-17 -9.94276e-01 0.00000e+00 0.00000e+00 4.24667e+01 270.000 1.30856e+00 90.000  0.7592 
1 1 1 16 16 10 o 7  2.39794e+01 1.57340e+01 5.62327e+01 180.000 -7.91929e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.39358e+01 0.000   7.01685e+01 0.000   0.6595 
1 1 1 16 16 13 o 12 1.23179e+02 4.71687e+01 2.78050e+02 90.000  4.43000e-16  7.23474e+00  0.00000e+00 0.00000e+00 5.04233e+01 90.000  2.27626e+02 270.000 1.0000 
1 1 1 16 16 14 o 16 1.55920e+02 7.00729e+00 1.04480e+02 180.000 -1.28969e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.10818e+02 180.000 2.06338e+02 180.000 1.0000 
1 1 1 16 16 15 o 9  7.18043e+01 1.64792e+01 5.14516e+01 270.000 -1.44256e-16 -2.35589e+00 0.00000e+00 0.00000e+00 1.36158e+02 270.000 8.47066e+01 270.000 0.9822 
1 1 1 16 16 16 o 14 2.28549e+01 1.55236e+01 8.70769e+00 180.000 -1.29484e-01 0.00000e+00  0.00000e+00 0.00000e+00 8.89452e-01 0.000   9.59714e+00 0.000   0.1288 
1 1 1 16 16 17 o 19 1.01989e+02 1.09419e+01 1.43417e+02 270.000 -6.66106e-16 -1.08783e+01 0.00000e+00 0.00000e+00 1.27145e+02 270.000 1.62725e+01 90.000  1.0000 
1 1 1 16 16 18 o 17 1.10164e+02 1.03301e+01 9.74434e+01 0.000   8.02354e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.94364e+02 0.000   9.69202e+01 0.000   1.0000 
1 1 1 16 16 19 o 13 9.08626e+01 1.11759e+01 7.57534e+01 90.000  2.96075e-16  4.83527e+00  0.00000e+00 0.00000e+00 1.64514e+02 90.000  8.87608e+01 90.000  0.9999 
1 1 1 16 16 20 o 3  2.12871e+01 1.45117e+01 2.05082e+01 180.000 -2.99570e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.15798e+00 0.000   2.46662e+01 0.000   0.2909 
1 1 1 16 16 21 o 2  2.36542e+01 1.55317e+01 8.00266e+01 90.000  7.67820e-17  1.25395e+00  0.00000e+00 0.00000e+00 2.70749e+01 270.000 1.07101e+02 270.000 0.8494 
1 1 1 16 16 22 o 16 3.23352e+01 1.82762e+01 6.35684e+01 0.000   1.29782e+00  0.00000e+00  0.00000e+00 0.00000e+00 9.68379e+00 0.000   5.38846e+01 180.000 0.8612 
1 1 1 16 16 23 o 11 4.56877e+01 1.93132e+01 3.74496e+01 90.000  7.01545e-17  1.14571e+00  0.00000e+00 0.00000e+00 6.04727e+01 90.000  2.30231e+01 90.000  0.8163 
1 1 1 16 16 24 o 7  4.69023e+01 1.95871e+01 6.55118e+01 180.000 -2.02405e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.31656e+01 180.000 1.23463e+01 0.000   0.9657 
1 1 1 16 16 25 o 6  2.42094e+01 1.58199e+01 5.22442e+01 270.000 -5.78577e-17 -9.44888e-01 0.00000e+00 0.00000e+00 5.56296e+00 90.000  5.78072e+01 90.000  0.7375 
1 1 1 16 16 26 o 8  6.04526e+01 1.77188e+01 7.80199e+01 180.000 -3.25363e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.92271e+01 180.000 1.20724e+00 180.000 0.9970 
1 1 1 16 16 27 o 18 1.80091e+01 1.30409e+01 1.16581e+01 270.000 -1.15330e-17 -1.88348e-01 0.00000e+00 0.00000e+00 2.93179e+00 90.000  1.45899e+01 90.000  0.1862 
1 1 1 16 16 28 o 9  2.98857e+01 1.87435e+01 4.62786e+01 180.000 -1.01587e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.33378e+01 180.000 3.29408e+01 0.000   0.7682 
1 1 1 16 16 29 o 19 2.17611e+01 1.51901e+01 2.50001e+01 90.000  2.73090e-17  4.45991e-01  0.00000e+00 0.00000e+00 1.40342e+00 270.000 2.64035e+01 270.000 0.4186 
1 1 1 16 16 30 o 9  8.12301e+01 1.89700e+01 1.44058e+02 0.000   8.43836e+00  0.00000e+00  0.00000e+00 0.00000e+00 6.58283e+01 0.000   7.82299e+01 180.000 1.0000 
1 1 1 16 16 31 o 18 4.87416e+01 2.22367e+01 3.54503e+01 90.000  7.17803e-17  1.17226e+00  0.00000e+00 0.00000e+00 6.81773e+01 90.000  3.27269e+01 90.000  0.8250 
1 1 1 16 16 32 o 8  2.94437e+01 1.81994e+01 6.49103e+01 180.000 -1.60233e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.86083e+00 180.000 6.00494e+01 0.000   0.9220 
1 1 1 16 16 33 o 10 3.39432e+01 2.00018e+01 8.40242e+01 90.000  1.40629e-16  2.29665e+00  0.00000e+00 0.00000e+00 1.22474e+00 90.000  8.27995e+01 270.000 0.9800 
1 1 1 16 16 34 o 18 5.50106e+01 2.09042e+01 1.74786e+01 0.000   7.80533e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.43207e+01 0.000   5.68421e+01 0.000   0.6530 
1 1 1 16 16 35 o 2  2.40037e+01 1.62123e+01 4.09520e+01 270.000 -5.92566e-17 -9.67734e-01 0.00000e+00 0.00000e+00 4.77673e+00 270.000 3.61752e+01 90.000  0.7477 
1 1 1 16 16 36 o 17 2.22961e+01 1.53498e+01 2.39381e+01 0.000   5.83321e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.79901e+00 0.000   1.81391e+01 180.000 0.5251 
1 1 1 16 16 37 o 3  2.33325e+01 1.59249e+01 4.67374e+01 90.000  7.31145e-17  1.19405e+00  0.00000e+00 0.00000e+00 2.40726e+00 90.000  4.43302e+01 270.000 0.8318 
1 1 1 16 16 38 o 11 2.17168e+01 1.50500e+01 4.63243e+01 180.000 -1.12041e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.05242e+00 0.000   4.83768e+01 0.000   0.8077 
1 1 1 16 16 39 o 13 9.97190e+01 1.68478e+01 1.04864e+02 90.000  7.17033e-16  1.17100e+01  0.00000e+00 0.00000e+00 1.45985e+02 90.000  4.11209e+01 90.000  1.0000 
1 1 1 17 0  1  o 16 1.26731e+02 9.48187e+00 1.61739e+02 315.000 2.36269e+00  -2.36269e+00 0.00000e+00 0.00000e+00 1.67216e+02 315.000 5.47700e+00 315.000 0.9975 
1 1 1 17 0  2  f 0  1.51952e+02 8.27921e+00 5.23246e+01 0.000   1.30029e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.88393e+02 0.000   2.36069e+02 0.000   0.8618 
1 1 1 17 0  3  o 15 4.01128e+02 5.82204e+00 4.33913e+02 45.000  2.02331e+01  2.02331e+01  0.00000e+00 0.00000e+00 6.09544e+02 45.000  1.75631e+02 45.000  1.0000 
1 1 1 17 0  4  o 9  2.05238e+02 6.84009e+00 2.03114e+02 90.000  4.17205e-16  6.81347e+00  0.00000e+00 0.00000e+00 3.30610e+02 90.000  1.27496e+02 90.000  1.0000 
1 1 1 17 0  5  f 0  1.97085e+02 7.04574e+00 1.30767e+02 135.000 -2.96517e+00 2.96517e+00  0.00000e+00 0.00000e+00 3.81324e+02 135.000 2.50557e+02 135.000 0.9995 
1 1 1 17 0  6  o 17 4.68917e+02 6.00312e+00 6.36308e+02 180.000 -4.84565e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.82067e+02 180.000 5.42416e+01 0.000   1.0000 
1 1 1 17 0  7  o 5  1.55942e+02 8.13845e+00 1.74013e+02 225.000 -3.62937e+00 -3.62937e+00 0.00000e+00 0.00000e+00 2.30912e+02 225.000 5.68995e+01 225.000 0.9999 
1 1 1 17 0  8  o 18 1.75784e+02 7.62019e+00 2.22418e+02 90.000  4.50893e-16  7.36365e+00  0.00000e+00 0.00000e+00 2.33766e+02 90.000  1.13482e+01 90.000  1.0000 
1 1 1 17 0  9  o 12 2.14465e+02 6.67716e+00 6.32532e+01 135.000 -1.79973e+00 1.79973e+00  0.00000e+00 0.00000e+00 4.86099e+02 135.000 4.22846e+02 135.000 0.9878 
1 1 1 17 0  10 o 3  1.96127e+02 7.06478e+00 1.12659e+02 0.000   4.10768e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.95254e+02 0.000   2.82595e+02 0.000   0.9995 
1 1 1 17 0  11 o 2  2.95804e+02 5.96487e+00 3.58801e+02 45.000  1.33133e+01  1.33133e+01  0.00000e+00 0.00000e+00 4.06965e+02 45.000  4.81646e+01 45.000  1.0000 
1 1 1 17 0  12 o 18 1.60914e+02 8.01855e+00 1.35895e+02 90.000  2.33713e-16  3.81683e+00  0.00000e+00 0.00000e+00 2.79858e+02 90.000  1.43963e+02 90.000  0.9990 
1 1 1 17 0  13 o 18 2.59234e+02 6.80168e+00 2.64588e+02 135.000 -8.41184e+00 8.41184e+00  0.00000e+00 0.00000e+00 4.05119e+02 135.000 1.40531e+02 135.000 1.0000 
1 1 1 17 0  16 o 2  1.36991e+02 1.03105e+01 3.96576e+01 90.000  6.99182e-17  1.14185e+00  0.00000e+00 0.00000e+00 2.47706e+02 90.000  2.08048e+02 90.000  0.8150 
1 1 1 17 0  17 o 6  2.05145e+02 7.12893e+00 1.62239e+02 135.000 -4.95800e+00 4.95800e+00  0.00000e+00 0.00000e+00 3.64996e+02 135.000 2.02756e+02 135.000 1.0000 
1 1 1 17 0  18 o 10 9.95381e+01 1.17547e+01 1.17283e+02 0.000   2.73759e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.36020e+02 0.000   1.87374e+01 0.000   0.9917 
1 1 1 17 0  19 o 16 2.63627e+02 6.29179e+00 3.43841e+02 45.000  1.52868e+01  1.52868e+01  0.00000e+00 0.00000e+00 3.31599e+02 45.000  1.22417e+01 225.000 1.0000 
1 1 1 17 0  20 o 7  5.09314e+01 2.14233e+01 1.57792e+02 270.000 -1.02964e-16 -1.68153e+00 0.00000e+00 0.00000e+00 3.62407e+01 90.000  1.94033e+02 90.000  0.9331 
1 1 1 17 0  21 o 10 2.43699e+02 6.56169e+00 3.22976e+02 315.000 1.29054e+01  -1.29054e+01 0.00000e+00 0.00000e+00 2.99255e+02 315.000 2.37214e+01 135.000 1.0000 
1 1 1 17 0  22 o 18 1.26931e+02 9.54963e+00 1.50829e+02 0.000   4.38836e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.72559e+02 0.000   2.17298e+01 0.000   0.9997 
1 1 1 17 0  23 o 7  2.23714e+02 6.71246e+00 1.84648e+02 225.000 -7.56573e+00 -7.56573e+00 0.00000e+00 0.00000e+00 3.84392e+02 225.000 1.99744e+02 225.000 1.0000 
1 1 1 17 0  24 o 4  1.68505e+02 9.12994e+00 1.86000e+01 90.000  4.83107e-17  7.88973e-01  0.00000e+00 0.00000e+00 2.62780e+02 90.000  2.44180e+02 90.000  0.6578 
1 1 1 17 0  25 o 19 3.21120e+02 7.64426e+00 3.36813e+02 315.000 2.21625e+01  -2.21625e+01 0.00000e+00 0.00000e+00 4.76612e+02 315.000 1.39798e+02 315.000 1.0000 
1 1 1 17 0  26 o 10 2.17813e+02 8.34916e+00 1.34863e+02 180.000 -7.82268e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.15663e+02 180.000 2.80800e+02 180.000 1.0000 
1 1 1 17 0  27 o 5  9.92012e+01 1.45734e+01 2.01123e+02 45.000  4.70117e+00  4.70117e+00  0.00000e+00 0.00000e+00 4.90369e+01 45.000  1.52086e+02 225.000 1.0000 
1 1 1 17 0  28 o 14 2.34294e+01 1.62684e+01 1.05840e+01 90.000  4.87438e-18  7.96047e-02  0.00000e+00 0.00000e+00 5.90171e+00 270.000 1.64857e+01 270.000 0.0794 
1 1 1 17 0  29 o 11 9.61129e+01 1.14391e+01 1.09621e+02 135.000 -2.60941e+00 2.60941e+00  0.00000e+00 0.00000e+00 1.31283e+02 135.000 2.16613e+01 135.000 0.9988 
1 1 1 17 0  30 o 16 1.35196e+02 8.64107e+00 9.04385e+01 0.000   4.40584e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.47886e+02 0.000   1.57447e+02 0.000   0.9997 
1 1 1 17 0  31 o 11 1.80776e+01 1.30531e+01 4.34479e+01 45.000  1.93271e-01  1.93271e-01  0.00000e+00 0.00000e+00 3.14101e+01 225.000 7.48580e+01 225.000 0.2667 
1 1 1 17 0  32 o 8  6.98148e+01 1.55278e+01 1.26374e+02 270.000 -1.96605e-16 -3.21080e+00 0.00000e+00 0.00000e+00 4.68905e+01 270.000 7.94839e+01 90.000  0.9968 
1 1 1 17 0  33 o 2  3.80109e+01 1.92799e+01 5.07024e+01 135.000 -4.50661e-01 4.50661e-01  0.00000e+00 0.00000e+00 2.43920e+00 135.000 4.82632e+01 315.000 0.5631 
1 1 1 17 0  34 o 10 9.21260e+01 1.14855e+01 1.86116e+02 180.000 -7.82076e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.19623e+01 180.000 1.44154e+02 0.000   1.0000 
1 1 1 17 0  35 o 11 1.46780e+02 7.54630e+00 2.33519e+02 45.000  1.01989e+01  1.01989e+01  0.00000e+00 0.00000e+00 1.28788e+02 45.000  1.04731e+02 225.000 1.0000 
1 1 1 17 0  36 o 6  2.93506e+01 1.82518e+01 1.02400e+02 90.000  8.14552e-17  1.33026e+00  0.00000e+00 0.00000e+00 3.96127e+01 270.000 1.42013e+02 270.000 0.8693 
1 1 1 17 0  37 o 8  5.36546e+01 2.09428e+01 1.30975e+02 315.000 2.12833e+00  -2.12833e+00 0.00000e+00 0.00000e+00 6.33759e-03 315.000 1.30968e+02 135.000 0.9952 
1 1 1 17 0  38 o 9  3.74735e+01 2.01172e+01 1.23219e+01 0.000   1.92397e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.09276e+00 0.000   7.22917e+00 180.000 0.1901 
1 1 1 17 0  39 o 16 1.66626e+01 1.20743e+01 2.90196e+01 225.000 -1.90773e-01 -1.90773e-01 0.00000e+00 0.00000e+00 1.83223e+01 45.000  4.73418e+01 45.000  0.2634 
1 1 1 17 0  41 o 16 2.98919e+01 1.74404e+01 6.84552e+01 135.000 -8.55848e-01 8.55848e-01  0.00000e+00 0.00000e+00 7.91618e+00 315.000 7.63714e+01 315.000 0.8368 
1 1 1 17 0  42 o 2  4.20562e+01 1.87714e+01 5.29384e-02 180.000 -1.28639e-03 0.00000e+00  0.00000e+00 0.00000e+00 7.75325e-02 180.000 2.45940e-02 180.000 0.0013 
1 1 1 17 0  43 o 17 2.58355e+01 1.62134e+01 1.26054e+00 45.000  1.34964e-02  1.34964e-02  0.00000e+00 0.00000e+00 7.58162e-02 225.000 1.33635e+00 225.000 0.0191 
1 1 1 17 0  44 o 17 7.87418e+01 1.53536e+01 3.48246e+01 90.000  1.09383e-16  1.78636e+00  0.00000e+00 0.00000e+00 1.43372e+02 90.000  1.08547e+02 90.000  0.9454 
1 1 1 17 0  45 o 12 4.04107e+01 2.00761e+01 8.22360e+01 135.000 -1.47643e+00 1.47643e+00  0.00000e+00 0.00000e+00 1.12133e+01 135.000 7.10227e+01 315.000 0.9697 
1 1 1 17 0  46 o 5  5.09399e+01 2.04042e+01 9.49497e+01 0.000   2.99927e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.54484e+01 0.000   6.95013e+01 180.000 0.9950 
1 1 1 17 0  47 o 10 7.55033e+01 1.52806e+01 1.19966e+02 45.000  5.07875e+00  5.07875e+00  0.00000e+00 0.00000e+00 5.86582e+01 45.000  6.13082e+01 225.000 1.0000 
1 1 1 17 0  48 o 5  1.16921e+02 1.16688e+01 1.38246e+02 270.000 -8.44789e-16 -1.37964e+01 0.00000e+00 0.00000e+00 1.37232e+02 270.000 1.01416e+00 90.000  1.0000 
1 1 1 17 0  49 o 15 4.63184e+01 2.03425e+01 2.00769e+01 315.000 4.69870e-01  -4.69870e-01 0.00000e+00 0.00000e+00 4.31015e+01 315.000 2.30246e+01 315.000 0.5813 
1 1 1 17 0  50 o 11 2.03051e+01 1.41041e+01 1.02001e+01 180.000 -1.92261e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.19028e+00 0.000   1.13904e+01 0.000   0.1899 
1 1 1 17 0  51 o 15 3.15333e+01 1.83898e+01 3.89688e+01 45.000  7.22288e-01  7.22288e-01  0.00000e+00 0.00000e+00 1.75448e+01 45.000  2.14240e+01 225.000 0.7705 
1 1 1 17 0  52 o 5  1.18778e+02 1.14883e+01 1.45026e+02 270.000 -1.16778e-15 -1.90714e+01 0.00000e+00 0.00000e+00 1.30042e+02 270.000 1.49836e+01 90.000  1.0000 
1 1 1 17 0  53 o 11 3.05862e+01 1.76846e+01 4.75275e+01 315.000 1.02019e+00  -1.02019e+00 0.00000e+00 0.00000e+00 1.55277e+01 315.000 3.19998e+01 135.000 0.8943 
1 1 1 17 0  54 o 19 6.00547e+01 1.74038e+01 8.12890e+01 180.000 -4.78152e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.65007e+01 180.000 2.47883e+01 0.000   0.9999 
1 1 1 17 1  0  o 4  4.19352e+02 5.84407e+00 4.40986e+02 0.000   3.04446e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.50453e+02 0.000   2.09467e+02 0.000   1.0000 
1 1 1 17 1  1  o 19 2.00960e+02 4.84963e+00 1.09250e+02 51.508  4.48494e+00  5.63988e+00  0.00000e+00 0.00000e+00 3.75980e+02 51.508  2.66730e+02 51.508  0.9278 
1 1 1 17 1  2  o 19 2.15771e+02 4.72719e+00 3.18321e+02 293.606 9.02005e+00  -2.06397e+01 0.00000e+00 0.00000e+00 2.30557e+02 293.606 8.77630e+01 113.606 0.9775 
1 1 1 17 1  3  o 16 1.02847e+02 8.00273e+00 6.95571e+01 355.902 2.29421e+00  -1.64377e-01 0.00000e+00 0.00000e+00 1.28819e+02 355.902 5.92617e+01 355.902 0.7414 
1 1 1 17 1  4  o 4  1.19491e+02 7.41810e+00 7.52504e+01 176.560 -2.88809e+00 1.73625e-01  0.00000e+00 0.00000e+00 1.73928e+02 176.560 9.86776e+01 176.560 0.8018 
1 1 1 17 1  5  o 18 6.57941e+01 1.18317e+01 7.31545e+01 155.826 -1.35938e+00 6.10189e-01  0.00000e+00 0.00000e+00 2.83956e+01 155.826 4.47589e+01 335.826 0.5937 
1 1 1 17 1  6  o 2  3.46439e+02 4.11494e+00 3.74132e+02 177.874 -4.19869e+01 1.55851e+00  0.00000e+00 0.00000e+00 5.15360e+02 177.874 1.41228e+02 177.874 0.9880 
1 1 1 17 1  7  o 4  8.73336e+01 9.86024e+00 1.43868e+02 343.601 4.41048e+00  -1.29800e+00 0.00000e+00 0.00000e+00 5.64444e+01 343.601 8.74239e+01 163.601 0.8831 
1 1 1 17 1  8  o 9  5.60310e+01 1.21534e+01 1.26170e+02 116.180 -1.10799e+00 2.25371e+00  0.00000e+00 0.00000e+00 1.47386e+01 296.180 1.40909e+02 296.180 0.7662 
1 1 1 17 1  9  o 5  6.95363e+01 1.11867e+01 8.00578e+01 146.897 -1.66280e+00 1.08408e+00  0.00000e+00 0.00000e+00 4.53379e+01 146.897 3.47198e+01 326.897 0.6953 
1 1 1 17 1  10 o 3  1.72349e+02 5.44271e+00 2.50922e+02 1.324   1.60021e+01  3.69812e-01  0.00000e+00 0.00000e+00 1.81532e+02 1.324   6.93899e+01 181.324 0.9682 
1 1 1 17 1  11 o 5  1.51599e+02 5.90035e+00 2.15846e+02 122.711 -6.21043e+00 9.66980e+00  0.00000e+00 0.00000e+00 1.59178e+02 122.711 5.66682e+01 302.711 0.9555 
1 1 1 17 1  12 o 15 1.75767e+02 5.31913e+00 2.17655e+02 329.345 1.14818e+01  -6.80516e+00 0.00000e+00 0.00000e+00 2.19601e+02 329.345 1.94578e+00 329.345 0.9618 
1 1 1 17 1  13 o 1  8.67206e+01 1.08117e+01 6.73882e+01 232.487 -1.18200e+00 -1.53967e+00 0.00000e+00 0.00000e+00 8.67369e+01 232.487 1.93487e+01 232.487 0.6879 
1 1 1 17 1  16 o 13 1.12135e+02 8.27847e+00 1.41963e+02 175.684 -6.60377e+00 4.98418e-01  0.00000e+00 0.00000e+00 1.23898e+02 175.684 1.80650e+01 355.684 0.9211 
1 1 1 17 1  17 o 15 3.70481e+01 1.12780e+01 9.79848e+01 276.395 1.61147e-01  -1.43772e+00 0.00000e+00 0.00000e+00 4.24960e+01 96.395  1.40481e+02 96.395  0.5827 
1 1 1 17 1  18 o 11 9.83926e+01 8.35795e+00 4.07938e+01 102.361 -4.02052e-01 1.83452e+00  0.00000e+00 0.00000e+00 1.30093e+02 102.361 8.92992e+01 102.361 0.6767 
1 1 1 17 1  19 o 16 3.06255e+02 4.31872e+00 3.29668e+02 177.151 -4.80398e+01 2.39055e+00  0.00000e+00 0.00000e+00 4.46899e+02 177.151 1.17231e+02 177.151 0.9895 
1 1 1 17 1  20 o 16 4.24505e+02 4.31505e+00 4.12610e+02 38.386  6.46292e+01  5.11990e+01  0.00000e+00 0.00000e+00 6.66736e+02 38.386  2.54126e+02 38.386  0.9939 
1 1 1 17 1  21 o 7  1.00040e+02 8.19046e+00 9.44607e+01 92.135  -1.58634e-01 4.25602e+00  0.00000e+00 0.00000e+00 1.28508e+02 92.135  3.40473e+01 92.135  0.8728 
1 1 1 17 1  22 o 12 5.24283e+01 1.24852e+01 1.94224e+01 42.308  3.23728e-01  2.94655e-01  0.00000e+00 0.00000e+00 9.14769e+00 42.308  1.02747e+01 222.308 0.2138 
1 1 1 17 1  23 o 7  2.90386e+02 4.46294e+00 3.57849e+02 257.549 -1.16048e+01 -5.25571e+01 0.00000e+00 0.00000e+00 3.73987e+02 257.549 1.61384e+01 257.549 0.9907 
1 1 1 17 1  24 o 18 2.65343e+02 5.01165e+00 3.25387e+02 237.753 -2.33981e+01 -3.70884e+01 0.00000e+00 0.00000e+00 3.40542e+02 237.753 1.51557e+01 237.753 0.9885 
1 1 1 17 1  25 o 13 5.53374e+01 1.37351e+01 2.31831e+01 7.368   6.59068e-01  8.52244e-02  0.00000e+00 0.00000e+00 2.10047e+01 7.368   2.17840e+00 187.368 0.3152 
1 1 1 17 1  26 o 13 2.37595e+02 5.62997e+00 2.02948e+02 91.306  -5.85337e-01 2.56827e+01  0.00000e+00 0.00000e+00 3.85855e+02 91.306  1.82906e+02 91.306  0.9803 
1 1 1 17 1  27 o 14 1.89464e+02 6.02746e+00 2.39526e+02 351.405 3.17174e+01  -4.79421e+00 0.00000e+00 0.00000e+00 2.30814e+02 351.405 8.71129e+00 171.405 0.9843 
1 1 1 17 1  28 f 0  4.28358e+01 1.19944e+01 1.60733e+02 242.885 -2.08640e+00 -4.07453e+00 0.00000e+00 0.00000e+00 6.56095e+01 62.885  2.26343e+02 62.885  0.8826 
1 1 1 17 1  29 o 12 7.65977e+01 1.04816e+01 1.38718e+02 49.885  4.60833e+00  5.46972e+00  0.00000e+00 0.00000e+00 3.95415e+01 49.885  9.91762e+01 229.885 0.9272 
1 1 1 17 1  30 o 9  5.08996e+01 1.17660e+01 3.25152e+01 240.135 -5.43491e-01 -9.46508e-01 0.00000e+00 0.00000e+00 2.83784e+01 240.135 4.13687e+00 60.135  0.4779 
1 1 1 17 1  31 o 1  1.65964e+02 5.47305e+00 1.96777e+02 142.226 -1.88425e+01 1.46022e+01  0.00000e+00 0.00000e+00 2.08847e+02 142.226 1.20700e+01 142.226 0.9788 
1 1 1 17 1  32 o 19 8.18877e+01 8.93070e+00 9.76907e+01 35.672  4.90425e+00  3.52037e+00  0.00000e+00 0.00000e+00 8.84724e+01 35.672  9.21831e+00 215.672 0.9129 
1 1 1 17 1  33 o 5  4.62764e+01 1.11822e+01 6.98067e+01 324.906 1.83739e+00  -1.29107e+00 0.00000e+00 0.00000e+00 1.45708e+01 324.906 5.52359e+01 144.906 0.7343 
1 1 1 17 1  34 o 13 1.18561e+02 6.40642e+00 1.39977e+02 71.497  4.93667e+00  1.47517e+01  0.00000e+00 0.00000e+00 1.43990e+02 71.497  4.01288e+00 71.497  0.9673 
1 1 1 17 1  35 f 0  1.09180e+02 6.65660e+00 1.81454e+02 80.361  2.74252e+00  1.61482e+01  0.00000e+00 0.00000e+00 7.97180e+01 80.361  1.01736e+02 260.361 0.9690 
1 1 1 17 1  36 f 0  6.17955e+01 1.17964e+01 4.77545e+01 214.420 -2.21849e+00 -1.52018e+00 0.00000e+00 0.00000e+00 7.15009e+01 214.420 2.37464e+01 214.420 0.7841 
1 1 1 17 1  37 o 2  1.23296e+02 6.37010e+00 1.64850e+02 323.213 1.71442e+01  -1.28192e+01 0.00000e+00 0.00000e+00 1.30497e+02 323.213 3.43527e+01 143.213 0.9764 
1 1 1 17 1  38 o 14 7.41260e+01 1.04571e+01 5.51411e+01 106.461 -1.06483e+00 3.60389e+00  0.00000e+00 0.00000e+00 9.95818e+01 106.461 4.44407e+01 106.461 0.8535 
1 1 1 17 1  39 o 11 8.44030e+01 9.34872e+00 1.33293e+02 41.866  9.83457e+00  8.81355e+00  0.00000e+00 0.00000e+00 6.44817e+01 41.866  6.88111e+01 221.866 0.9614 
1 1 1 17 1  41 o 6  3.90929e+01 1.13443e+01 6.02555e+01 134.398 -2.01495e+00 2.05778e+00  0.00000e+00 0.00000e+00 1.55152e+01 134.398 4.47402e+01 314.398 0.8007 
1 1 1 17 1  42 o 6  8.58349e+01 8.11295e+00 9.01273e+01 202.007 -9.78318e+00 -3.95415e+00 0.00000e+00 0.00000e+00 1.06836e+02 202.007 1.67088e+01 202.007 0.9514 
1 1 1 17 1  43 o 6  1.13713e+02 6.43855e+00 1.72679e+02 165.987 -2.55413e+01 6.37438e+00  0.00000e+00 0.00000e+00 9.53487e+01 165.987 7.73305e+01 345.987 0.9808 
1 1 1 17 1  44 f 0  3.73289e+01 1.08444e+01 4.88386e+01 87.898  8.70713e-02  2.37215e+00  0.00000e+00 0.00000e+00 1.82377e+01 87.898  3.06009e+01 267.898 0.7505 
1 1 1 17 1  45 o 4  1.23260e+02 6.89824e+00 1.52918e+02 251.884 -9.56206e+00 -2.92275e+01 0.00000e+00 0.00000e+00 1.36235e+02 251.884 1.66830e+01 71.884  0.9836 
1 1 1 17 1  46 o 16 3.51187e+01 1.01003e+01 6.46351e+01 23.295  3.06171e+00  1.31824e+00  0.00000e+00 0.00000e+00 4.77014e+00 23.295  5.98650e+01 203.295 0.8319 
1 1 1 17 1  47 o 16 3.54466e+01 1.05314e+01 3.42878e+01 65.680  8.01816e-01  1.77420e+00  0.00000e+00 0.00000e+00 2.34883e+01 65.680  1.07995e+01 245.680 0.6889 
1 1 1 17 1  48 o 6  6.68304e+01 1.01988e+01 6.81095e+01 52.892  4.36780e+00  5.77359e+00  0.00000e+00 0.00000e+00 7.80521e+01 52.892  9.94267e+00 52.892  0.9281 
1 1 1 17 1  49 o 18 2.98703e+01 9.52930e+00 1.54129e+01 50.440  5.19844e-01  6.29275e-01  0.00000e+00 0.00000e+00 1.10484e+01 50.440  4.36448e+00 230.440 0.3775 
1 1 1 17 1  50 o 11 4.15351e+01 1.11483e+01 5.21540e+01 253.847 -1.06081e+00 -3.66251e+00 0.00000e+00 0.00000e+00 3.09149e+01 253.847 2.12392e+01 73.847  0.8559 
1 1 1 17 1  51 o 18 4.66434e+01 1.15648e+01 1.18464e+02 280.648 1.94761e+00  -1.03586e+01 0.00000e+00 0.00000e+00 1.52338e+01 100.648 1.33698e+02 100.648 0.9513 
1 1 1 17 1  52 o 2  3.26258e+01 1.01916e+01 5.47755e+01 12.449  3.51910e+00  7.76898e-01  0.00000e+00 0.00000e+00 9.17946e+00 12.449  4.55960e+01 192.449 0.8463 
1 1 1 17 1  53 o 12 9.30731e+01 8.23460e+00 1.00834e+02 140.067 -1.78999e+01 1.49840e+01  0.00000e+00 0.00000e+00 1.09113e+02 140.067 8.27913e+00 140.067 0.9783 
1 1 1 17 1  54 o 8  9.95848e+01 7.21462e+00 1.24073e+02 110.040 -1.06710e+01 2.92541e+01  0.00000e+00 0.00000e+00 1.00779e+02 110.040 2.32940e+01 290.040 0.9838 
1 1 1 17 2  0  o 6  1.33257e+02 9.14569e+00 1.55710e+02 0.000   3.35557e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.90420e+02 0.000   3.47094e+01 0.000   0.9976 
1 1 1 17 2  1  o 12 1.98015e+02 4.96964e+00 2.48857e+02 29.107  1.40204e+01  7.80594e+00  0.00000e+00 0.00000e+00 2.50379e+02 29.107  1.52235e+00 29.107  0.9683 
1 1 1 17 2  2  o 12 8.13771e+01 1.03133e+01 6.58375e+01 269.490 -1.49845e-02 -1.68414e+00 0.00000e+00 0.00000e+00 6.94267e+01 269.490 3.58915e+00 269.490 0.6385 
1 1 1 17 2  3  o 19 1.38229e+02 6.33819e+00 6.68021e+01 197.996 -2.83150e+00 -9.19820e-01 0.00000e+00 0.00000e+00 2.24002e+02 197.996 1.57200e+02 197.996 0.8083 
1 1 1 17 2  4  o 8  1.36434e+02 6.81819e+00 1.85720e+02 133.867 -5.62948e+00 5.85675e+00  0.00000e+00 0.00000e+00 1.46654e+02 133.867 3.90659e+01 313.866 0.9363 
1 1 1 17 2  5  o 5  1.29724e+02 7.12503e+00 9.34840e+01 270.675 5.36207e-02  -4.55079e+00 0.00000e+00 0.00000e+00 2.04048e+02 270.675 1.10564e+02 270.675 0.8818 
1 1 1 17 2  6  o 11 1.41384e+02 6.18443e+00 1.80271e+02 71.750  2.99998e+00  9.09792e+00  0.00000e+00 0.00000e+00 1.67545e+02 71.750  1.27261e+01 251.750 0.9463 
1 1 1 17 2  7  o 19 2.36946e+02 4.77516e+00 3.07327e+02 94.547  -2.17469e+00 2.73423e+01  0.00000e+00 0.00000e+00 2.97000e+02 94.547  1.03277e+01 274.547 0.9816 
1 1 1 17 2  8  o 6  2.22163e+02 4.86883e+00 2.15224e+02 251.680 -5.62314e+00 -1.69832e+01 0.00000e+00 0.00000e+00 3.45287e+02 251.680 1.30063e+02 251.680 0.9716 
1 1 1 17 2  9  o 19 5.15657e+01 1.22553e+01 1.67787e+02 203.506 -2.77829e+00 -1.20840e+00 0.00000e+00 0.00000e+00 5.91215e+01 23.506  2.26908e+02 23.506  0.8122 
1 1 1 17 2  10 o 14 9.72253e+01 9.09924e+00 1.58401e+02 297.476 2.44636e+00  -4.70428e+00 0.00000e+00 0.00000e+00 6.84449e+01 297.476 8.99565e+01 117.476 0.9000 
1 1 1 17 2  11 o 17 1.66953e+02 5.43796e+00 8.91859e+01 240.332 -2.57643e+00 -4.52290e+00 0.00000e+00 0.00000e+00 2.99123e+02 240.332 2.09937e+02 240.332 0.8979 
1 1 1 17 2  12 o 5  7.48616e+01 1.20437e+01 6.15923e+01 140.305 -1.16805e+00 9.69558e-01  0.00000e+00 0.00000e+00 5.47457e+01 140.305 6.84651e+00 320.305 0.6006 
1 1 1 17 2  15 o 9  1.13415e+02 8.51090e+00 1.77175e+02 78.688  1.64516e+00  8.22459e+00  0.00000e+00 0.00000e+00 9.72494e+01 78.688  7.99259e+01 258.688 0.9383 
1 1 1 17 2  16 o 4  3.21706e+02 4.42153e+00 3.36786e+02 202.541 -4.24774e+01 -1.76302e+01 0.00000e+00 0.00000e+00 4.82615e+02 202.541 1.45830e+02 202.541 0.9891 
1 1 1 17 2  17 o 11 1.92105e+02 5.11240e+00 2.93743e+02 1.076   2.72920e+01  5.12608e-01  0.00000e+00 0.00000e+00 1.91128e+02 1.076   1.02615e+02 181.076 0.9815 
1 1 1 17 2  18 f 0  1.50617e+02 5.91574e+00 1.99362e+02 56.616  7.85076e+00  1.19134e+01  0.00000e+00 0.00000e+00 1.73560e+02 56.616  2.58022e+01 236.616 0.9643 
1 1 1 17 2  19 o 9  1.92725e+02 5.19735e+00 1.96768e+02 265.332 -1.45770e+00 -1.78518e+01 0.00000e+00 0.00000e+00 2.83297e+02 265.332 8.65288e+01 265.332 0.9717 
1 1 1 17 2  20 o 2  2.55864e+02 4.45333e+00 2.34548e+02 16.993  2.68325e+01  8.19983e+00  0.00000e+00 0.00000e+00 4.08495e+02 16.993  1.73947e+02 16.993  0.9820 
1 1 1 17 2  21 o 11 1.70812e+02 5.27062e+00 8.96311e+01 210.458 -6.16138e+00 -3.62321e+00 0.00000e+00 0.00000e+00 3.14955e+02 210.458 2.25324e+02 210.458 0.9271 
1 1 1 17 2  22 o 2  1.56086e+02 5.74710e+00 2.36702e+02 294.549 7.03288e+00  -1.53973e+01 0.00000e+00 0.00000e+00 1.49374e+02 294.549 8.73280e+01 114.549 0.9700 
1 1 1 17 2  23 o 10 9.63708e+01 8.39250e+00 1.70527e+02 103.990 -1.98067e+00 7.95014e+00  0.00000e+00 0.00000e+00 5.92464e+01 103.990 1.11280e+02 283.990 0.9368 
1 1 1 17 2  24 o 5  2.37273e+02 5.07975e+00 2.45028e+02 120.328 -1.72154e+01 2.94271e+01  0.00000e+00 0.00000e+00 3.48715e+02 120.328 1.03686e+02 120.328 0.9852 
1 1 1 17 2  25 o 8  1.07068e+02 8.42049e+00 1.12553e+02 83.197  7.97278e-01  6.68274e+00  0.00000e+00 0.00000e+00 1.37754e+02 83.197  2.52012e+01 83.197  0.9224 
1 1 1 17 2  26 o 16 1.95971e+02 5.47309e+00 1.73421e+02 26.535  1.61283e+01  8.05367e+00  0.00000e+00 0.00000e+00 3.08235e+02 26.535  1.34814e+02 26.535  0.9719 
1 1 1 17 2  27 o 2  1.10749e+02 8.64422e+00 1.79761e+02 351.248 1.33834e+01  -2.06033e+00 0.00000e+00 0.00000e+00 8.91543e+01 351.248 9.06066e+01 171.248 0.9623 
1 1 1 17 2  28 o 13 1.34762e+02 6.64741e+00 1.92922e+02 213.677 -1.56152e+01 -1.04052e+01 0.00000e+00 0.00000e+00 1.37136e+02 213.677 5.57862e+01 33.678  0.9730 
1 1 1 17 2  29 o 2  5.69799e+01 1.20956e+01 6.56168e+01 311.526 1.64302e+00  -1.85539e+00 0.00000e+00 0.00000e+00 4.34967e+01 311.526 2.21201e+01 131.526 0.7626 
1 1 1 17 2  30 o 2  1.10600e+02 7.40053e+00 1.00947e+02 9.588   7.96200e+00  1.34499e+00  0.00000e+00 0.00000e+00 1.58299e+02 9.588   5.73519e+01 9.588   0.9359 
1 1 1 17 2  31 o 14 9.03961e+01 8.78784e+00 8.34480e+01 258.597 -1.03894e+00 -5.15137e+00 0.00000e+00 0.00000e+00 1.19555e+02 258.597 3.61072e+01 258.597 0.8990 
1 1 1 17 2  32 o 7  1.45637e+02 5.60649e+00 1.57620e+02 30.177  1.56146e+01  9.07959e+00  0.00000e+00 0.00000e+00 1.95011e+02 30.177  3.73906e+01 30.177  0.9719 
1 1 1 17 2  33 o 9  1.07953e+02 6.88955e+00 8.08628e+01 45.405  4.54541e+00  4.61016e+00  0.00000e+00 0.00000e+00 1.65641e+02 45.405  8.47780e+01 45.405  0.9191 
1 1 1 17 2  34 o 16 1.68845e+02 5.15239e+00 1.97953e+02 131.953 -2.12112e+01 2.35966e+01  0.00000e+00 0.00000e+00 2.13655e+02 131.953 1.57015e+01 131.953 0.9841 
1 1 1 17 2  35 o 4  2.75169e+01 9.15179e+00 3.92351e+01 264.788 -7.76232e-02 -8.50943e-01 0.00000e+00 0.00000e+00 1.25631e+01 84.788  5.17982e+01 84.788  0.3925 
1 1 1 17 2  36 o 11 1.03338e+02 8.14117e+00 1.16261e+02 137.624 -8.77338e+00 8.00438e+00  0.00000e+00 0.00000e+00 1.27219e+02 137.624 1.09585e+01 137.624 0.9569 
1 1 1 17 2  37 o 11 1.66683e+02 5.94550e+00 2.18304e+02 119.427 -1.82184e+01 3.22974e+01  0.00000e+00 0.00000e+00 1.85262e+02 119.427 3.30423e+01 299.427 0.9864 
1 1 1 17 2  38 o 4  4.48782e+01 1.21099e+01 9.17436e+01 103.205 -9.65312e-01 4.11392e+00  0.00000e+00 0.00000e+00 3.96305e+00 103.205 8.77805e+01 283.205 0.8717 
1 1 1 17 2  39 o 14 1.59514e+02 6.00282e+00 1.56535e+02 86.654  1.83931e+00  3.14591e+01  0.00000e+00 0.00000e+00 2.26206e+02 86.654  6.96711e+01 86.654  0.9840 
1 1 1 17 2  41 o 4  3.96216e+01 1.15762e+01 3.87401e+01 92.743  -8.88199e-02 1.85387e+00  0.00000e+00 0.00000e+00 2.58008e+01 92.743  1.29393e+01 272.743 0.6726 
1 1 1 17 2  42 f 0  3.35634e+01 1.06265e+01 4.62753e+01 60.087  9.77328e-01  1.69872e+00  0.00000e+00 0.00000e+00 9.69289e+00 60.087  3.65824e+01 240.087 0.6911 
1 1 1 17 2  43 o 3  1.60137e+02 5.92701e+00 1.74879e+02 210.682 -3.48789e+01 -2.06945e+01 0.00000e+00 0.00000e+00 2.05343e+02 210.682 3.04636e+01 210.682 0.9876 
1 1 1 17 2  44 o 4  3.24953e+01 1.00219e+01 5.35167e+01 16.406  2.22458e+00  6.54975e-01  0.00000e+00 0.00000e+00 4.37381e+00 16.406  4.91429e+01 196.406 0.7438 
1 1 1 17 2  45 o 7  3.37714e+01 1.01659e+01 6.11236e+00 339.263 2.83281e-01  -1.07251e-01 0.00000e+00 0.00000e+00 5.95357e+00 339.263 1.58789e-01 159.263 0.1497 
1 1 1 17 2  46 o 11 1.23719e+02 5.60739e+00 1.31198e+02 294.219 1.09552e+01  -2.43543e+01 0.00000e+00 0.00000e+00 1.57279e+02 294.219 2.60817e+01 294.219 0.9811 
1 1 1 17 2  47 o 17 1.65305e+02 4.73356e+00 1.57283e+02 240.175 -2.48063e+01 -4.32704e+01 0.00000e+00 0.00000e+00 2.30073e+02 240.175 7.27902e+01 240.175 0.9899 
1 1 1 17 2  48 o 1  3.87338e+01 1.06388e+01 3.68075e+01 194.278 -2.15430e+00 -5.48229e-01 0.00000e+00 0.00000e+00 2.99600e+01 194.278 6.84751e+00 14.278  0.7312 
1 1 1 17 2  49 o 11 7.83984e+01 8.51943e+00 1.10070e+02 117.042 -7.20916e+00 1.41229e+01  0.00000e+00 0.00000e+00 6.80771e+01 117.042 4.19930e+01 297.042 0.9679 
1 1 1 17 2  50 o 2  6.55474e+01 9.80102e+00 9.53095e+01 5.667   1.15858e+01  1.14969e+00  0.00000e+00 0.00000e+00 5.11787e+01 5.667   4.41308e+01 185.667 0.9560 
1 1 1 17 2  51 o 6  4.80427e+01 1.12487e+01 3.14617e+01 76.974  6.58830e-01  2.84785e+00  0.00000e+00 0.00000e+00 5.84535e+01 76.974  2.69919e+01 76.974  0.8041 
1 1 1 17 2  52 o 14 8.65947e+01 8.10366e+00 5.53820e+01 106.464 -3.00131e+00 1.01558e+01  0.00000e+00 0.00000e+00 1.35546e+02 106.464 8.01642e+01 106.464 0.9515 
1 1 1 17 2  53 o 6  4.72419e+01 1.14354e+01 5.26985e+01 345.360 5.06399e+00  -1.32288e+00 0.00000e+00 0.00000e+00 4.52159e+01 345.360 7.48267e+00 165.360 0.8985 
1 1 1 17 2  54 o 9  4.71548e+01 1.14891e+01 5.88312e+01 125.992 -3.68264e+00 5.07014e+00  0.00000e+00 0.00000e+00 4.03767e+01 125.992 1.84545e+01 305.992 0.9163 
1 1 1 17 3  0  o 17 4.82175e+02 6.09789e+00 5.26016e+02 180.000 -4.82902e+01 0.00000e+00  0.00000e+00 0.00000e+00 7.30362e+02 180.000 2.04347e+02 180.000 1.0000 
1 1 1 17 3  1  o 4  2.57384e+02 4.44520e+00 2.32541e+02 98.489  -3.36104e+00 2.25189e+01  0.00000e+00 0.00000e+00 4.23184e+02 98.489  1.90643e+02 98.489  0.9778 
1 1 1 17 3  2  o 4  1.77188e+02 5.40911e+00 2.05147e+02 204.884 -1.24696e+01 -5.78387e+00 0.00000e+00 0.00000e+00 2.39341e+02 204.884 3.41944e+01 204.884 0.9629 
1 1 1 17 3  3  o 14 1.67469e+02 5.55792e+00 2.64173e+02 203.366 -1.53134e+01 -6.61588e+00 0.00000e+00 0.00000e+00 1.58739e+02 203.366 1.05434e+02 23.366  0.9695 
1 1 1 17 3  4  o 18 2.70439e+02 4.59415e+00 2.50268e+02 305.355 1.47948e+01  -2.08532e+01 0.00000e+00 0.00000e+00 4.40004e+02 305.355 1.89736e+02 305.355 0.9802 
1 1 1 17 3  5  o 8  2.94421e+02 4.45690e+00 2.35047e+02 112.347 -9.90841e+00 2.41034e+01  0.00000e+00 0.00000e+00 5.16432e+02 112.347 2.81385e+02 112.347 0.9806 
1 1 1 17 3  6  o 13 3.09840e+02 4.18336e+00 3.04486e+02 13.165  3.44754e+01  8.06366e+00  0.00000e+00 0.00000e+00 4.90129e+02 13.165  1.85642e+02 13.165  0.9858 
1 1 1 17 3  7  o 13 3.40060e+02 4.38052e+00 3.60177e+02 58.056  2.41692e+01  3.87637e+01  0.00000e+00 0.00000e+00 5.14295e+02 58.056  1.54119e+02 58.056  0.9890 
1 1 1 17 3  8  o 15 2.88225e+02 4.45690e+00 3.59615e+02 226.262 -2.54709e+01 -2.66185e+01 0.00000e+00 0.00000e+00 3.79090e+02 226.262 1.94753e+01 226.262 0.9863 
1 1 1 17 3  9  o 18 3.21268e+02 4.18924e+00 3.32297e+02 201.932 -3.49854e+01 -1.40865e+01 0.00000e+00 0.00000e+00 4.90758e+02 201.932 1.58461e+02 201.932 0.9867 
1 1 1 17 3  10 o 4  1.21817e+02 7.06453e+00 1.99130e+02 56.574  4.61536e+00  6.99256e+00  0.00000e+00 0.00000e+00 9.74083e+01 56.574  1.01722e+02 236.574 0.9383 
1 1 1 17 3  11 o 3  3.83392e+02 5.86971e+00 4.46168e+02 313.366 4.04991e+01  -4.28770e+01 0.00000e+00 0.00000e+00 5.39154e+02 313.366 9.29860e+01 313.366 0.9915 
1 1 1 17 3  14 o 5  2.03603e+02 5.55245e+00 2.75926e+02 161.821 -2.28015e+01 7.48747e+00  0.00000e+00 0.00000e+00 2.39044e+02 161.821 3.68823e+01 341.821 0.9789 
1 1 1 17 3  15 o 4  5.20387e+01 1.23678e+01 1.11896e+02 1.072   2.30586e+00  4.31532e-02  0.00000e+00 0.00000e+00 1.22335e+01 181.072 1.24130e+02 181.072 0.7422 
1 1 1 17 3  16 o 14 2.28048e+02 4.75692e+00 1.57768e+02 183.957 -1.74369e+01 -1.20632e+00 0.00000e+00 0.00000e+00 4.12851e+02 183.957 2.55083e+02 183.957 0.9710 
1 1 1 17 3  17 o 18 2.26561e+02 4.65118e+00 3.20080e+02 82.940  4.28165e+00  3.45736e+01  0.00000e+00 0.00000e+00 2.54514e+02 82.940  6.55655e+01 262.940 0.9855 
1 1 1 17 3  18 o 11 2.53156e+02 4.38172e+00 2.97215e+02 151.161 -3.13912e+01 1.72851e+01  0.00000e+00 0.00000e+00 3.44123e+02 151.161 4.69078e+01 151.161 0.9859 
1 1 1 17 3  19 o 15 7.55742e+01 1.07161e+01 6.67863e+01 169.408 -2.20353e+00 4.12073e-01  0.00000e+00 0.00000e+00 7.54673e+01 169.408 8.68095e+00 169.408 0.7337 
1 1 1 17 3  20 o 1  3.39353e+02 4.11372e+00 3.54410e+02 145.255 -4.66748e+01 3.23740e+01  0.00000e+00 0.00000e+00 5.07014e+02 145.255 1.52604e+02 145.255 0.9912 
1 1 1 17 3  21 o 13 2.12281e+02 4.75043e+00 2.10127e+02 291.322 7.51979e+00  -1.92658e+01 0.00000e+00 0.00000e+00 3.19291e+02 291.322 1.09164e+02 291.322 0.9755 
1 1 1 17 3  22 o 12 5.83544e+01 1.22363e+01 8.56050e+01 141.642 -1.86972e+00 1.47969e+00  0.00000e+00 0.00000e+00 2.63470e+01 141.642 5.92580e+01 321.642 0.7518 
1 1 1 17 3  23 o 2  4.69149e+01 1.23658e+01 1.23910e+02 286.824 9.06706e-01  -2.99861e+00 0.00000e+00 0.00000e+00 2.60116e+01 106.824 1.49922e+02 106.824 0.8193 
1 1 1 17 3  24 o 7  2.37334e+02 4.95799e+00 3.28047e+02 331.236 3.97011e+01  -2.17932e+01 0.00000e+00 0.00000e+00 2.68488e+02 331.236 5.95591e+01 151.236 0.9889 
1 1 1 17 3  25 o 15 1.01446e+02 8.85648e+00 1.18447e+02 160.898 -5.87918e+00 2.03608e+00  0.00000e+00 0.00000e+00 1.17158e+02 160.898 1.28875e+00 340.898 0.9157 
1 1 1 17 3  26 o 8  1.78953e+02 5.63671e+00 2.20197e+02 252.762 -8.31493e+00 -2.67991e+01 0.00000e+00 0.00000e+00 2.24546e+02 252.762 4.34959e+00 252.762 0.9820 
1 1 1 17 3  27 o 10 4.53612e+01 1.19514e+01 1.17176e+02 172.637 -3.51912e+00 4.54752e-01  0.00000e+00 0.00000e+00 2.05545e+01 352.637 1.37731e+02 352.637 0.8436 
1 1 1 17 3  28 o 7  2.10124e+02 4.86846e+00 1.63220e+02 17.870  2.38061e+01  7.67533e+00  0.00000e+00 0.00000e+00 3.55390e+02 17.870  1.92170e+02 17.870  0.9798 
1 1 1 17 3  29 o 12 9.57342e+01 7.91807e+00 1.36092e+02 187.580 -9.12946e+00 -1.21494e+00 0.00000e+00 0.00000e+00 9.10088e+01 187.580 4.50828e+01 7.580   0.9440 
1 1 1 17 3  30 o 8  1.42924e+02 6.14293e+00 2.18346e+02 32.049  1.92795e+01  1.20701e+01  0.00000e+00 0.00000e+00 1.31917e+02 32.049  8.64285e+01 212.049 0.9778 
1 1 1 17 3  31 o 5  1.07238e+02 7.45513e+00 6.80872e+01 287.596 1.71476e+00  -5.40686e+00 0.00000e+00 0.00000e+00 1.75044e+02 287.596 1.06957e+02 287.596 0.9069 
1 1 1 17 3  32 o 10 1.24051e+02 6.94181e+00 9.92178e+01 339.142 8.62064e+00  -3.28462e+00 0.00000e+00 0.00000e+00 1.92771e+02 339.142 9.35534e+01 339.142 0.9441 
1 1 1 17 3  33 o 12 9.25993e+01 1.00454e+01 1.31406e+02 300.647 5.47033e+00  -9.23268e+00 0.00000e+00 0.00000e+00 8.77992e+01 300.647 4.36070e+01 120.647 0.9522 
1 1 1 17 3  34 o 4  1.95684e+02 5.20091e+00 2.33490e+02 191.610 -3.79640e+01 -7.79974e+00 0.00000e+00 0.00000e+00 2.45291e+02 191.610 1.18010e+01 191.610 0.9870 
1 1 1 17 3  35 o 13 3.96968e+01 1.14155e+01 2.59659e+01 234.955 -5.48449e-01 -7.81961e-01 0.00000e+00 0.00000e+00 1.62480e+01 234.955 9.71791e+00 54.955  0.4303 
1 1 1 17 3  36 o 7  1.23972e+02 6.47809e+00 1.61576e+02 167.202 -2.07104e+01 4.70440e+00  0.00000e+00 0.00000e+00 1.36606e+02 167.202 2.49706e+01 347.202 0.9762 
1 1 1 17 3  37 o 5  1.02292e+02 8.30907e+00 1.13470e+02 145.419 -9.28229e+00 6.39892e+00  0.00000e+00 0.00000e+00 1.26366e+02 145.419 1.28967e+01 145.419 0.9546 
1 1 1 17 3  38 o 13 1.03283e+02 8.39605e+00 1.15423e+02 21.790  1.24842e+01  4.99088e+00  0.00000e+00 0.00000e+00 1.27851e+02 21.790  1.24277e+01 21.790  0.9621 
1 1 1 17 3  39 o 17 1.17866e+02 1.04937e+01 9.27956e+01 296.427 5.48285e+00  -1.10319e+01 0.00000e+00 0.00000e+00 1.82885e+02 296.427 9.00893e+01 296.427 0.9585 
1 1 1 17 3  40 o 3  1.42687e+02 5.56143e+00 2.11628e+02 221.917 -2.22178e+01 -1.99466e+01 0.00000e+00 0.00000e+00 1.29506e+02 221.917 8.21222e+01 41.917  0.9831 
1 1 1 17 3  41 o 12 9.30934e+01 7.64200e+00 1.18685e+02 165.511 -1.49155e+01 3.85437e+00  0.00000e+00 0.00000e+00 9.94665e+01 165.511 1.92187e+01 345.511 0.9670 
1 1 1 17 3  42 o 9  9.55488e+01 7.71702e+00 1.18880e+02 290.507 5.23672e+00  -1.40011e+01 0.00000e+00 0.00000e+00 1.03988e+02 290.507 1.48914e+01 110.507 0.9660 
1 1 1 17 3  43 o 8  7.41047e+01 1.03682e+01 8.73431e+01 300.433 4.19415e+00  -7.13929e+00 0.00000e+00 0.00000e+00 7.98040e+01 300.433 7.53912e+00 120.433 0.9375 
1 1 1 17 3  44 o 11 7.80770e+01 9.60906e+00 1.39932e+02 344.883 1.41718e+01  -3.82847e+00 0.00000e+00 0.00000e+00 4.07176e+01 344.883 9.92148e+01 164.883 0.9653 
1 1 1 17 3  45 o 13 4.49423e+01 1.15093e+01 5.85854e+01 186.164 -3.68330e+00 -3.97779e-01 0.00000e+00 0.00000e+00 3.27472e+01 186.164 2.58382e+01 6.164   0.8511 
1 1 1 17 3  46 o 7  1.01487e+02 6.67948e+00 8.47535e+01 116.978 -6.22352e+00 1.22262e+01  0.00000e+00 0.00000e+00 1.47645e+02 116.978 6.28918e+01 116.978 0.9628 
1 1 1 17 3  47 o 8  8.26509e+01 7.82500e+00 8.26255e+01 168.212 -1.16898e+01 2.43955e+00  0.00000e+00 0.00000e+00 1.04773e+02 168.212 2.21478e+01 168.212 0.9572 
1 1 1 17 3  48 o 16 4.99407e+01 1.13395e+01 7.37352e+01 155.719 -5.11805e+00 2.30882e+00  0.00000e+00 0.00000e+00 3.29977e+01 155.719 4.07375e+01 335.719 0.9059 
1 1 1 17 3  49 o 6  3.91430e+01 1.08387e+01 5.70654e+01 201.894 -3.45697e+00 -1.38924e+00 0.00000e+00 0.00000e+00 2.12898e+01 201.894 3.57756e+01 21.894  0.8521 
1 1 1 17 3  50 o 8  6.73303e+01 1.00711e+01 1.14940e+02 312.837 1.01561e+01  -1.09533e+01 0.00000e+00 0.00000e+00 3.71966e+01 312.837 7.77432e+01 132.837 0.9659 
1 1 1 17 3  51 o 19 7.81172e+01 9.02973e+00 7.65543e+01 164.202 -1.23280e+01 3.48796e+00  0.00000e+00 0.00000e+00 9.81367e+01 164.202 2.15824e+01 164.202 0.9601 
1 1 1 17 3  52 o 5  7.97641e+01 9.20112e+00 8.28854e+01 325.707 1.25490e+01  -8.55815e+00 0.00000e+00 0.00000e+00 9.58734e+01 325.707 1.29879e+01 325.707 0.9665 
1 1 1 17 3  53 o 3  3.13026e+01 9.82799e+00 2.15041e+01 51.217  9.62732e-01  1.19813e+00  0.00000e+00 0.00000e+00 2.22211e+01 51.217  7.16924e-01 51.217  0.6051 
1 1 1 17 3  54 o 16 3.83800e+01 1.09658e+01 6.01199e+01 85.561  4.14540e-01  5.34048e+00  0.00000e+00 0.00000e+00 1.93379e+01 85.561  4.07820e+01 265.561 0.9010 
1 1 1 17 4  0  o 3  2.25626e+02 6.74456e+00 1.54243e+02 180.000 -6.50526e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.34242e+02 180.000 2.79999e+02 180.000 1.0000 
1 1 1 17 4  1  o 15 1.55098e+02 5.99204e+00 1.82137e+02 206.797 -9.36288e+00 -4.72891e+00 0.00000e+00 0.00000e+00 2.02585e+02 206.797 2.04480e+01 206.797 0.9511 
1 1 1 17 4  2  o 2  1.98761e+02 5.06869e+00 2.83067e+02 222.484 -1.54640e+01 -1.41621e+01 0.00000e+00 0.00000e+00 2.22744e+02 222.484 6.03228e+01 42.484  0.9759 
1 1 1 17 4  3  o 6  3.01790e+02 4.49047e+00 4.38502e+02 315.556 3.38024e+01  -3.31524e+01 0.00000e+00 0.00000e+00 3.39978e+02 315.556 9.85243e+01 135.556 0.9894 
1 1 1 17 4  4  o 15 1.80377e+02 5.44699e+00 1.63069e+02 304.193 5.87062e+00  -8.64065e+00 0.00000e+00 0.00000e+00 2.83971e+02 304.193 1.20903e+02 304.193 0.9509 
1 1 1 17 4  5  o 18 1.12899e+02 7.53396e+00 7.72034e+01 209.218 -2.65831e+00 -1.48676e+00 0.00000e+00 0.00000e+00 1.62034e+02 209.218 8.48305e+01 209.218 0.8133 
1 1 1 17 4  6  o 17 3.33280e+02 4.14276e+00 4.53627e+02 263.641 -5.93125e+00 -5.32221e+01 0.00000e+00 0.00000e+00 4.06156e+02 263.641 4.74715e+01 83.641  0.9906 
1 1 1 17 4  7  o 11 2.23226e+02 4.64072e+00 2.36600e+02 219.290 -1.43713e+01 -1.17587e+01 0.00000e+00 0.00000e+00 3.28531e+02 219.290 9.19303e+01 219.290 0.9727 
1 1 1 17 4  8  o 8  5.95628e+01 1.26544e+01 4.32011e+01 130.330 -5.47369e-01 6.44761e-01  0.00000e+00 0.00000e+00 1.70787e+01 130.330 2.61224e+01 310.330 0.3891 
1 1 1 17 4  12 o 8  2.53140e+02 5.13024e+00 1.98138e+02 265.922 -1.53537e+00 -2.15369e+01 0.00000e+00 0.00000e+00 4.42643e+02 265.922 2.44505e+02 265.922 0.9766 
1 1 1 17 4  13 o 5  1.54653e+02 5.80314e+00 1.47635e+02 192.589 -9.46148e+00 -2.11294e+00 0.00000e+00 0.00000e+00 2.31554e+02 192.589 8.39186e+01 192.589 0.9469 
1 1 1 17 4  14 o 4  8.84108e+01 9.52345e+00 7.19526e+01 196.685 -2.48368e+00 -7.44438e-01 0.00000e+00 0.00000e+00 1.05193e+02 196.685 3.32408e+01 196.685 0.7747 
1 1 1 17 4  15 o 15 8.33007e+01 9.87321e+00 1.15110e+02 20.638  4.15376e+00  1.56441e+00  0.00000e+00 0.00000e+00 7.39160e+01 20.638  4.11940e+01 200.638 0.8785 
1 1 1 17 4  16 o 9  3.25989e+02 4.15110e+00 3.96438e+02 145.932 -5.14788e+01 3.48115e+01  0.00000e+00 0.00000e+00 4.37688e+02 145.932 4.12503e+01 145.932 0.9919 
1 1 1 17 4  17 o 1  1.98599e+02 4.80056e+00 1.63697e+02 69.676  5.35843e+00  1.44674e+01  0.00000e+00 0.00000e+00 3.31010e+02 69.676  1.67313e+02 69.676  0.9670 
1 1 1 17 4  18 f 0  1.60887e+02 5.65455e+00 2.20961e+02 116.675 -7.43564e+00 1.48003e+01  0.00000e+00 0.00000e+00 1.80153e+02 116.675 4.08080e+01 296.675 0.9693 
1 1 1 17 4  19 o 12 4.08012e+01 1.10743e+01 9.62326e+01 202.692 -1.60823e+00 -6.72467e-01 0.00000e+00 0.00000e+00 2.80496e+01 22.692  1.24282e+02 22.692  0.6508 
1 1 1 17 4  20 o 17 6.88936e+01 1.09528e+01 1.15352e+02 0.130   3.48635e+00  7.90398e-03  0.00000e+00 0.00000e+00 3.30751e+01 0.130   8.22765e+01 180.130 0.8404 
1 1 1 17 4  21 o 3  1.17373e+02 7.58439e+00 2.05890e+02 191.860 -1.19805e+01 -2.51605e+00 0.00000e+00 0.00000e+00 8.19368e+01 191.860 1.23953e+02 11.860  0.9582 
1 1 1 17 4  22 o 3  2.70189e+02 4.88432e+00 3.13322e+02 229.541 -3.25608e+01 -3.81788e+01 0.00000e+00 0.00000e+00 3.69922e+02 229.541 5.66006e+01 229.541 0.9900 
1 1 1 17 4  23 o 5  1.27749e+02 7.14327e+00 1.23170e+02 274.254 6.67935e-01  -8.98001e+00 0.00000e+00 0.00000e+00 1.83859e+02 274.254 6.06897e+01 274.254 0.9427 
1 1 1 17 4  24 o 18 1.38878e+02 7.20501e+00 2.33402e+02 169.584 -1.68628e+01 3.09986e+00  0.00000e+00 0.00000e+00 1.09470e+02 169.584 1.23932e+02 349.584 0.9704 
1 1 1 17 4  25 o 18 1.46951e+02 6.05074e+00 1.33664e+02 166.602 -1.36055e+01 3.24072e+00  0.00000e+00 0.00000e+00 2.25828e+02 166.602 9.21639e+01 166.602 0.9636 
1 1 1 17 4  26 o 14 4.96396e+01 1.20653e+01 5.70483e+01 77.354  3.96188e-01  1.76573e+00  0.00000e+00 0.00000e+00 2.64377e+01 77.354  3.06106e+01 257.354 0.6639 
1 1 1 17 4  27 o 8  2.24589e+02 4.92088e+00 2.17488e+02 113.046 -1.40180e+01 3.29503e+01  0.00000e+00 0.00000e+00 3.42176e+02 113.046 1.24688e+02 113.046 0.9859 
1 1 1 17 4  28 o 9  1.50187e+02 6.60225e+00 1.52474e+02 1.178   1.65627e+01  3.40587e-01  0.00000e+00 0.00000e+00 2.14609e+02 1.178   6.21354e+01 1.178   0.9693 
1 1 1 17 4  29 o 10 2.42732e+02 5.13485e+00 2.16267e+02 265.201 -3.25634e+00 -3.87872e+01 0.00000e+00 0.00000e+00 3.86384e+02 265.201 1.70117e+02 265.201 0.9871 
1 1 1 17 4  30 o 3  1.92920e+02 5.97906e+00 2.14852e+02 37.589  2.62043e+01  2.01720e+01  0.00000e+00 0.00000e+00 2.61793e+02 37.589  4.69415e+01 37.589  0.9848 
1 1 1 17 4  31 o 1  1.14084e+02 7.24194e+00 1.60513e+02 240.669 -6.74768e+00 -1.20089e+01 0.00000e+00 0.00000e+00 1.14396e+02 240.669 4.61170e+01 60.669  0.9630 
1 1 1 17 4  32 o 6  1.23698e+02 7.10040e+00 1.36896e+02 235.402 -9.04655e+00 -1.31147e+01 0.00000e+00 0.00000e+00 1.61948e+02 235.402 2.50522e+01 235.402 0.9681 
1 1 1 17 4  33 o 6  6.44140e+01 1.17322e+01 1.13665e+02 102.403 -1.20397e+00 5.47448e+00  0.00000e+00 0.00000e+00 3.15253e+01 102.403 8.21393e+01 282.403 0.9058 
1 1 1 17 4  34 o 2  1.90564e+02 5.41113e+00 2.39492e+02 237.698 -2.57847e+01 -4.07839e+01 0.00000e+00 0.00000e+00 2.28440e+02 237.698 1.10516e+01 57.698  0.9896 
1 1 1 17 4  35 o 19 1.22507e+02 6.49360e+00 1.45000e+02 241.456 -9.08123e+00 -1.66953e+01 0.00000e+00 0.00000e+00 1.49998e+02 241.456 4.99748e+00 241.456 0.9733 
1 1 1 17 4  36 o 15 4.28747e+01 1.12824e+01 1.50182e+01 69.284  2.08631e-01  5.51670e-01  0.00000e+00 0.00000e+00 1.48849e+01 69.284  1.33319e-01 249.284 0.2828 
1 1 1 17 4  37 o 15 4.38639e+01 1.10213e+01 3.84789e+01 347.363 1.75002e+00  -3.92348e-01 0.00000e+00 0.00000e+00 3.27827e+01 347.363 5.69622e+00 167.363 0.6608 
1 1 1 17 4  38 o 4  5.78062e+01 1.18442e+01 5.76436e+01 220.382 -2.76821e+00 -2.35443e+00 0.00000e+00 0.00000e+00 6.24634e+01 220.382 4.81984e+00 220.382 0.8478 
1 1 1 17 4  40 o 14 3.88088e+01 1.11202e+01 8.97033e+01 31.160  3.67081e+00  2.21963e+00  0.00000e+00 0.00000e+00 7.15331e+00 211.160 9.68566e+01 211.160 0.8738 
1 1 1 17 4  41 o 6  1.21459e+02 5.94244e+00 1.64922e+02 239.887 -1.44583e+01 -2.49288e+01 0.00000e+00 0.00000e+00 1.24554e+02 239.887 4.03681e+01 59.887  0.9825 
1 1 1 17 4  42 o 15 4.07725e+01 1.10837e+01 4.23538e+01 130.008 -1.40092e+00 1.66909e+00  0.00000e+00 0.00000e+00 2.91063e+01 130.008 1.32476e+01 310.008 0.7251 
1 1 1 17 4  43 o 15 8.23939e+01 8.40440e+00 1.16873e+02 281.875 2.79016e+00  -1.32689e+01 0.00000e+00 0.00000e+00 7.40916e+01 281.875 4.27812e+01 101.875 0.9624 
1 1 1 17 4  44 o 7  3.61401e+01 1.05403e+01 2.96898e+01 319.738 1.19139e+00  -1.00902e+00 0.00000e+00 0.00000e+00 2.32824e+01 319.738 6.40740e+00 139.738 0.6109 
1 1 1 17 4  45 o 19 5.05985e+01 1.11402e+01 1.12054e+01 244.929 -3.40495e-01 -7.27836e-01 0.00000e+00 0.00000e+00 3.38407e+01 244.929 2.26353e+01 244.929 0.3725 
1 1 1 17 4  46 o 2  3.02474e+01 9.70213e+00 1.02630e+01 266.451 -3.18858e-02 -5.14133e-01 0.00000e+00 0.00000e+00 7.69482e+00 266.451 2.56817e+00 86.451  0.2494 
1 1 1 17 4  47 o 15 3.83415e+01 1.10031e+01 4.39126e+01 316.105 1.87536e+00  -1.80439e+00 0.00000e+00 0.00000e+00 2.66094e+01 316.105 1.73031e+01 136.105 0.7757 
1 1 1 17 4  48 o 19 3.93382e+01 1.11307e+01 8.10897e+00 164.916 -5.12429e-01 1.38108e-01  0.00000e+00 0.00000e+00 1.57127e+01 164.916 7.60372e+00 164.916 0.2564 
1 1 1 17 4  49 o 6  1.03900e+02 7.05639e+00 7.41378e+01 74.856  4.20330e+00  1.55310e+01  0.00000e+00 0.00000e+00 1.62475e+02 74.856  8.83376e+01 74.856  0.9684 
1 1 1 17 4  50 o 12 5.21802e+01 1.13147e+01 6.15774e+01 220.356 -4.74496e+00 -4.03194e+00 0.00000e+00 0.00000e+00 5.03126e+01 220.356 1.12648e+01 40.356  0.9157 
1 1 1 17 4  51 o 2  7.28187e+01 9.27409e+00 7.89745e+01 137.521 -8.96476e+00 8.20851e+00  0.00000e+00 0.00000e+00 8.36554e+01 137.521 4.68084e+00 137.521 0.9579 
1 1 1 17 4  52 o 11 4.91133e+01 1.12195e+01 4.61547e+01 134.548 -3.40177e+00 3.45592e+00  0.00000e+00 0.00000e+00 5.52749e+01 134.548 9.12028e+00 134.548 0.8898 
1 1 1 17 4  53 o 7  7.81469e+01 9.31413e+00 8.89401e+01 222.518 -1.17891e+01 -1.08094e+01 0.00000e+00 0.00000e+00 8.58863e+01 222.518 3.05373e+00 42.518  0.9682 
1 1 1 17 5  0  o 1  1.93435e+02 6.97768e+00 1.58153e+02 180.000 -5.36798e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.46996e+02 180.000 1.88843e+02 180.000 1.0000 
1 1 1 17 5  1  o 10 3.23814e+02 4.21151e+00 2.71541e+02 317.959 2.29768e+01  -2.07180e+01 0.00000e+00 0.00000e+00 5.60308e+02 317.959 2.88767e+02 317.959 0.9837 
1 1 1 17 5  2  f 0  3.99736e+02 4.26184e+00 4.39341e+02 77.419  1.34400e+01  6.02220e+01  0.00000e+00 0.00000e+00 5.95928e+02 77.419  1.56587e+02 77.419  0.9919 
1 1 1 17 5  3  o 6  8.11799e+01 1.05340e+01 1.41731e+02 285.510 1.03479e+00  -3.72880e+00 0.00000e+00 0.00000e+00 4.01688e+01 285.510 1.01562e+02 105.510 0.8583 
1 1 1 17 5  4  o 2  2.27190e+02 6.31088e+00 2.81690e+02 228.563 -1.70237e+01 -1.92844e+01 0.00000e+00 0.00000e+00 2.99584e+02 228.563 1.78932e+01 228.563 0.9804 
1 1 1 17 5  9  o 18 9.35593e+01 1.43049e+01 7.50555e+01 341.028 2.40122e+00  -8.25505e-01 0.00000e+00 0.00000e+00 1.12231e+02 341.028 3.71754e+01 341.028 0.7692 
1 1 1 17 5  10 o 5  1.02171e+02 9.12111e+00 1.26396e+02 116.259 -2.37855e+00 4.82132e+00  0.00000e+00 0.00000e+00 1.13095e+02 116.259 1.33014e+01 296.259 0.9014 
1 1 1 17 5  11 o 8  2.34349e+02 4.81764e+00 2.44909e+02 195.241 -2.36332e+01 -6.43932e+00 0.00000e+00 0.00000e+00 3.51365e+02 195.241 1.06457e+02 195.241 0.9794 
1 1 1 17 5  12 o 14 2.91693e+02 4.39862e+00 3.88477e+02 32.438  4.05412e+01  2.57662e+01  0.00000e+00 0.00000e+00 3.60663e+02 32.438  2.78144e+01 212.438 0.9895 
1 1 1 17 5  13 o 19 1.83836e+02 5.40412e+00 2.11804e+02 194.340 -1.82513e+01 -4.66581e+00 0.00000e+00 0.00000e+00 2.51983e+02 194.340 4.01798e+01 194.340 0.9731 
1 1 1 17 5  14 o 17 1.86245e+02 5.18831e+00 2.23650e+02 310.847 1.30737e+01  -1.51208e+01 0.00000e+00 0.00000e+00 2.46424e+02 310.847 2.27739e+01 310.847 0.9747 
1 1 1 17 5  15 o 13 1.85689e+02 5.21921e+00 2.63825e+02 293.684 9.36584e+00  -2.13516e+01 0.00000e+00 0.00000e+00 2.06019e+02 293.684 5.78055e+01 113.685 0.9783 
1 1 1 17 5  16 f 0  1.70289e+02 5.49047e+00 2.37375e+02 260.030 -3.28673e+00 -1.86979e+01 0.00000e+00 0.00000e+00 1.90719e+02 260.030 4.66553e+01 80.030  0.9733 
1 1 1 17 5  17 o 18 4.80457e+02 4.56964e+00 5.14924e+02 337.967 1.08998e+02  -4.41101e+01 0.00000e+00 0.00000e+00 7.19001e+02 337.967 2.04077e+02 337.967 0.9957 
1 1 1 17 5  18 o 13 1.95664e+02 5.09405e+00 3.57891e+02 205.352 -2.96007e+01 -1.40252e+01 0.00000e+00 0.00000e+00 1.38255e+02 205.352 2.19636e+02 25.352  0.9846 
1 1 1 17 5  19 o 18 2.10723e+02 5.30035e+00 1.99786e+02 66.776  8.66639e+00  2.01970e+01  0.00000e+00 0.00000e+00 3.29556e+02 66.776  1.29770e+02 66.776  0.9770 
1 1 1 17 5  20 o 7  1.17256e+02 7.86098e+00 2.64186e+02 120.991 -8.03685e+00 1.33801e+01  0.00000e+00 0.00000e+00 2.69910e+01 120.991 2.37195e+02 300.991 0.9674 
1 1 1 17 5  21 o 9  3.16060e+02 4.72799e+00 3.96502e+02 196.378 -7.12199e+01 -2.09314e+01 0.00000e+00 0.00000e+00 4.07886e+02 196.378 1.13839e+01 196.378 0.9932 
1 1 1 17 5  22 o 10 2.03942e+02 5.32955e+00 1.84934e+02 352.875 2.17534e+01  -2.71923e+00 0.00000e+00 0.00000e+00 3.24633e+02 352.875 1.39699e+02 352.875 0.9769 
1 1 1 17 5  23 o 7  1.71337e+02 5.58885e+00 1.88475e+02 171.230 -1.71103e+01 2.63974e+00  0.00000e+00 0.00000e+00 2.36066e+02 171.230 4.75912e+01 171.230 0.9707 
1 1 1 17 5  24 o 13 1.43295e+02 6.37110e+00 9.14298e+01 311.634 6.17774e+00  -6.94979e+00 0.00000e+00 0.00000e+00 2.53385e+02 311.634 1.61956e+02 311.634 0.9446 
1 1 1 17 5  25 o 5  1.88498e+02 5.54739e+00 2.14250e+02 111.918 -1.11803e+01 2.77863e+01  0.00000e+00 0.00000e+00 2.56864e+02 111.918 4.26137e+01 111.918 0.9832 
1 1 1 17 5  26 o 10 2.56586e+02 4.63647e+00 2.98579e+02 355.463 5.62235e+01  -4.46119e+00 0.00000e+00 0.00000e+00 3.46460e+02 355.463 4.78807e+01 355.463 0.9911 
1 1 1 17 5  27 o 9  1.03843e+02 7.98465e+00 1.82770e+02 266.965 -7.15352e-01 -1.34921e+01 0.00000e+00 0.00000e+00 7.01085e+01 266.965 1.12661e+02 86.965  0.9623 
1 1 1 17 5  28 o 3  2.43928e+02 4.70985e+00 2.93980e+02 229.197 -3.49852e+01 -4.05268e+01 0.00000e+00 0.00000e+00 3.16096e+02 229.197 2.21163e+01 229.197 0.9906 
1 1 1 17 5  29 o 6  3.43929e+01 1.08694e+01 3.21222e+01 263.144 -9.74863e-02 -8.10802e-01 0.00000e+00 0.00000e+00 5.91964e-01 263.144 3.15303e+01 83.144  0.3777 
1 1 1 17 5  30 o 9  3.16368e+02 4.55433e+00 4.67589e+02 147.948 -9.76233e+01 6.11255e+01  0.00000e+00 0.00000e+00 3.23711e+02 147.948 1.43878e+02 327.948 0.9956 
1 1 1 17 5  31 o 12 9.42801e+01 9.04392e+00 1.18031e+02 202.149 -9.39086e+00 -3.82257e+00 0.00000e+00 0.00000e+00 1.06220e+02 202.149 1.18106e+01 22.149  0.9493 
1 1 1 17 5  32 o 13 1.93710e+02 5.21794e+00 2.30586e+02 110.277 -1.47807e+01 4.00060e+01  0.00000e+00 0.00000e+00 2.47735e+02 110.277 1.71491e+01 110.277 0.9882 
1 1 1 17 5  33 o 14 2.02239e+02 4.87563e+00 2.07209e+02 269.222 -4.81928e-01 -3.55053e+01 0.00000e+00 0.00000e+00 2.89568e+02 269.222 8.23586e+01 269.222 0.9858 
1 1 1 17 5  34 o 9  1.19444e+02 6.27938e+00 1.00757e+02 232.477 -7.55447e+00 -9.83702e+00 0.00000e+00 0.00000e+00 1.83780e+02 232.477 8.30233e+01 232.477 0.9588 
1 1 1 17 5  35 o 4  8.62617e+01 8.09887e+00 1.04007e+02 41.342  6.90588e+00  6.07598e+00  0.00000e+00 0.00000e+00 9.77032e+01 41.342  6.30412e+00 221.342 0.9440 
1 1 1 17 5  36 o 9  9.08449e+01 7.82594e+00 1.49699e+02 26.339  1.41478e+01  7.00418e+00  0.00000e+00 0.00000e+00 6.74242e+01 26.339  8.22745e+01 206.339 0.9678 
1 1 1 17 5  37 o 17 1.02079e+02 7.18917e+00 1.35223e+02 43.658  1.24417e+01  1.18721e+01  0.00000e+00 0.00000e+00 1.08657e+02 43.658  2.65663e+01 223.658 0.9705 
1 1 1 17 5  39 o 12 3.74222e+01 1.08716e+01 2.07764e+01 214.909 -7.97380e-01 -5.56443e-01 0.00000e+00 0.00000e+00 1.91743e+01 214.909 1.60206e+00 34.909  0.4365 
1 1 1 17 5  40 o 17 6.00234e+01 1.08347e+01 8.66554e+01 162.339 -6.28010e+00 1.99955e+00  0.00000e+00 0.00000e+00 4.80383e+01 162.339 3.86171e+01 342.339 0.9207 
1 1 1 17 5  41 o 4  4.00397e+01 1.19969e+01 2.52261e+01 248.560 -4.28280e-01 -1.09059e+00 0.00000e+00 0.00000e+00 2.37813e+01 248.560 1.44482e+00 68.560  0.5039 
1 1 1 17 5  42 o 11 6.80571e+01 1.19714e+01 5.30521e+01 194.246 -4.24311e+00 -1.07734e+00 0.00000e+00 0.00000e+00 9.13398e+01 194.246 3.82877e+01 194.246 0.8766 
1 1 1 17 5  43 o 16 6.78595e+01 9.66375e+00 6.92644e+01 70.779  2.34204e+00  6.71750e+00  0.00000e+00 0.00000e+00 8.23893e+01 70.779  1.31249e+01 70.779  0.9268 
1 1 1 17 5  44 o 18 4.44264e+01 1.11815e+01 6.51793e+01 327.976 3.50097e+00  -2.18970e+00 0.00000e+00 0.00000e+00 2.74937e+01 327.976 3.76856e+01 147.976 0.8683 
1 1 1 17 5  45 o 16 5.03309e+01 1.09172e+01 6.85576e+01 295.811 2.10221e+00  -4.34657e+00 0.00000e+00 0.00000e+00 3.85500e+01 295.811 3.00076e+01 115.811 0.8892 
1 1 1 17 5  46 o 2  6.12332e+01 1.03922e+01 3.49866e+01 39.198  2.65145e+00  2.16229e+00  0.00000e+00 0.00000e+00 8.71696e+01 39.198  5.21830e+01 39.198  0.8369 
1 1 1 17 5  47 o 11 7.22777e+01 9.43865e+00 6.99604e+01 85.649  6.31147e-01  8.29610e+00  0.00000e+00 0.00000e+00 9.09728e+01 85.649  2.10125e+01 85.649  0.9378 
1 1 1 17 5  48 o 11 9.84060e+01 7.15251e+00 8.56921e+01 284.681 4.49548e+00  -1.71583e+01 0.00000e+00 0.00000e+00 1.40332e+02 284.681 5.46396e+01 284.681 0.9714 
1 1 1 17 5  49 o 18 3.77362e+01 1.06903e+01 3.66926e+01 238.811 -1.34816e+00 -2.22702e+00 0.00000e+00 0.00000e+00 3.22391e+01 238.811 4.45345e+00 58.811  0.7758 
1 1 1 17 5  50 o 16 1.17642e+02 8.33935e+00 1.27909e+02 259.704 -5.96089e+00 -3.28140e+01 0.00000e+00 0.00000e+00 1.43746e+02 259.704 1.58363e+01 259.704 0.9849 
1 1 1 17 5  51 o 9  4.34447e+01 1.12920e+01 5.42421e+01 345.634 4.71838e+00  -1.20850e+00 0.00000e+00 0.00000e+00 3.60494e+01 345.634 1.81927e+01 165.634 0.8903 
1 1 1 17 5  52 o 13 3.17380e+01 1.02210e+01 1.66794e+01 292.169 4.48191e-01  -1.09996e+00 0.00000e+00 0.00000e+00 2.08631e+01 292.169 4.18375e+00 292.169 0.5090 
1 1 1 17 5  53 o 9  6.97730e+01 1.19750e+01 7.59598e+01 77.886  2.43700e+00  1.13536e+01  0.00000e+00 0.00000e+00 7.83481e+01 77.886  2.38833e+00 77.886  0.9559 
1 1 1 17 6  1  o 9  2.91996e+02 1.36923e+01 1.72358e+02 313.385 1.26842e+01  -1.34200e+01 0.00000e+00 0.00000e+00 5.70396e+02 313.385 3.98038e+02 313.385 0.9725 
1 1 1 17 6  2  f 0  3.40344e+02 9.31796e+00 2.81799e+02 90.829  -5.34511e-01 3.69305e+01  0.00000e+00 0.00000e+00 5.96141e+02 90.829  3.14343e+02 90.829  0.9864 
1 1 1 17 6  3  o 16 1.08732e+02 9.57017e+00 1.40726e+02 97.206  -7.36013e-01 5.82121e+00  0.00000e+00 0.00000e+00 1.18053e+02 97.206  2.26730e+01 277.206 0.9103 
1 1 1 17 6  4  o 3  1.08087e+02 8.29706e+00 1.90320e+02 76.554  2.02447e+00  8.46741e+00  0.00000e+00 0.00000e+00 7.54458e+01 76.554  1.14874e+02 256.554 0.9407 
1 1 1 17 6  5  o 18 3.45651e+02 4.75132e+00 3.93644e+02 63.707  2.60860e+01  5.27974e+01  0.00000e+00 0.00000e+00 5.01787e+02 63.707  1.08143e+02 63.707  0.9915 
1 1 1 17 6  6  o 5  1.82076e+02 6.16593e+00 2.52350e+02 44.783  1.39337e+01  1.38287e+01  0.00000e+00 0.00000e+00 2.10887e+02 44.783  4.14638e+01 224.783 0.9742 
1 1 1 17 6  7  o 12 9.39473e+01 9.70210e+00 8.05250e+01 353.841 3.10106e+00  -3.34616e-01 0.00000e+00 0.00000e+00 1.20164e+02 353.841 3.96385e+01 353.841 0.8184 
1 1 1 17 6  8  o 14 1.49054e+02 6.04427e+00 2.37079e+02 191.669 -1.46405e+01 -3.02353e+00 0.00000e+00 0.00000e+00 1.38485e+02 191.669 9.85940e+01 11.669  0.9660 
1 1 1 17 6  9  o 13 2.01171e+02 5.16481e+00 2.18235e+02 309.435 1.36502e+01  -1.65972e+01 0.00000e+00 0.00000e+00 2.93777e+02 309.435 7.55419e+01 309.435 0.9764 
1 1 1 17 6  10 o 12 3.17097e+02 4.09291e+00 3.78396e+02 110.216 -2.02856e+01 5.50878e+01  0.00000e+00 0.00000e+00 4.40388e+02 110.216 6.19911e+01 110.216 0.9914 
1 1 1 17 6  11 o 19 1.23111e+02 6.52391e+00 1.67475e+02 41.663  7.35956e+00  6.54859e+00  0.00000e+00 0.00000e+00 1.36143e+02 41.663  3.13316e+01 221.663 0.9478 
1 1 1 17 6  12 o 8  2.04158e+02 4.67290e+00 1.98648e+02 59.917  9.75981e+00  1.68482e+01  0.00000e+00 0.00000e+00 3.18241e+02 59.917  1.19593e+02 59.917  0.9740 
1 1 1 17 6  13 o 4  3.83241e+02 4.11073e+00 4.62280e+02 197.116 -8.09708e+01 -2.49344e+01 0.00000e+00 0.00000e+00 5.26978e+02 197.116 6.46983e+01 197.116 0.9941 
1 1 1 17 6  14 f 0  3.34648e+02 4.05963e+00 4.40436e+02 282.608 1.52359e+01  -6.81145e+01 0.00000e+00 0.00000e+00 4.21282e+02 282.608 1.91531e+01 102.608 0.9928 
1 1 1 17 6  15 o 16 1.15029e+02 6.69773e+00 1.02960e+02 24.909  5.03821e+00  2.33962e+00  0.00000e+00 0.00000e+00 1.66656e+02 24.909  6.36954e+01 24.909  0.9048 
1 1 1 17 6  16 o 7  1.89093e+02 4.95857e+00 2.49269e+02 277.808 3.00652e+00  -2.19248e+01 0.00000e+00 0.00000e+00 2.28720e+02 277.808 2.05492e+01 97.808  0.9771 
1 1 1 17 6  17 f 0  2.86141e+02 4.49749e+00 2.49355e+02 351.306 3.71787e+01  -5.68525e+00 0.00000e+00 0.00000e+00 4.79929e+02 351.306 2.30573e+02 351.306 0.9866 
1 1 1 17 6  18 o 1  2.15930e+02 4.80550e+00 1.58620e+02 331.703 1.56755e+01  -8.43924e+00 0.00000e+00 0.00000e+00 3.82466e+02 331.703 2.23845e+02 331.703 0.9715 
1 1 1 17 6  19 o 17 8.36187e+01 1.06655e+01 1.06995e+02 45.747  3.48006e+00  3.57202e+00  0.00000e+00 0.00000e+00 8.53197e+01 45.747  2.16756e+01 225.747 0.8931 
1 1 1 17 6  20 o 13 1.88542e+02 5.16974e+00 1.23011e+02 286.343 3.82976e+00  -1.30607e+01 0.00000e+00 0.00000e+00 3.43555e+02 286.343 2.20545e+02 286.343 0.9625 
1 1 1 17 6  21 o 18 1.89039e+02 5.10383e+00 1.98384e+02 20.580  1.90764e+01  7.16266e+00  0.00000e+00 0.00000e+00 2.74702e+02 20.580  7.63180e+01 20.580  0.9751 
1 1 1 17 6  22 o 19 4.90838e+01 1.26442e+01 7.56413e+01 172.168 -2.37734e+00 3.26989e-01  0.00000e+00 0.00000e+00 1.91162e+01 172.168 5.65250e+01 352.168 0.7536 
1 1 1 17 6  23 o 14 3.79745e+01 1.12618e+01 7.10869e+01 244.398 -7.65296e-01 -1.59718e+00 0.00000e+00 0.00000e+00 7.36253e+00 64.398  7.84495e+01 64.398  0.6564 
1 1 1 17 6  24 o 4  1.03565e+02 7.99500e+00 1.38068e+02 27.854  9.06476e+00  4.79016e+00  0.00000e+00 0.00000e+00 1.12939e+02 27.854  2.51290e+01 207.854 0.9499 
1 1 1 17 6  25 o 7  2.46579e+02 4.51814e+00 2.42492e+02 189.731 -4.42810e+01 -7.59385e+00 0.00000e+00 0.00000e+00 3.78292e+02 189.731 1.35801e+02 189.731 0.9888 
1 1 1 17 6  26 o 7  1.06862e+02 7.30105e+00 1.34108e+02 15.032  9.93129e+00  2.66711e+00  0.00000e+00 0.00000e+00 1.23815e+02 15.032  1.02930e+01 195.032 0.9501 
1 1 1 17 6  27 o 7  3.81997e+01 1.12417e+01 1.11735e+02 212.662 -2.44032e+00 -1.56436e+00 0.00000e+00 0.00000e+00 3.40622e+01 32.662  1.45798e+02 32.662  0.8022 
1 1 1 17 6  28 o 8  1.43112e+02 5.72153e+00 1.32361e+02 115.006 -6.42853e+00 1.37823e+01  0.00000e+00 0.00000e+00 2.17417e+02 115.006 8.50565e+01 115.006 0.9665 
1 1 1 17 6  29 o 3  6.06989e+01 1.12725e+01 7.78224e+01 251.124 -1.07785e+00 -3.15245e+00 0.00000e+00 0.00000e+00 4.95357e+01 251.124 2.82867e+01 71.124  0.8318 
1 1 1 17 6  30 o 1  1.38784e+02 5.88176e+00 1.81817e+02 225.839 -1.69485e+01 -1.74520e+01 0.00000e+00 0.00000e+00 1.60118e+02 225.839 2.16984e+01 45.839  0.9792 
1 1 1 17 6  31 o 10 6.85315e+01 1.09868e+01 7.23949e+01 315.387 2.76350e+00  -2.72643e+00 0.00000e+00 0.00000e+00 7.53036e+01 315.387 2.90865e+00 315.387 0.8588 
1 1 1 17 6  32 o 3  6.01220e+01 1.18358e+01 9.47309e+01 226.683 -3.62774e+00 -3.84737e+00 0.00000e+00 0.00000e+00 4.06351e+01 226.683 5.40958e+01 46.683  0.8997 
1 1 1 17 6  33 o 12 2.88825e+01 9.56057e+00 1.50779e+02 7.530   4.36968e+00  5.77582e-01  0.00000e+00 0.00000e+00 8.75243e+01 187.530 2.38303e+02 187.530 0.8776 
1 1 1 17 6  34 o 1  2.36383e+02 4.50027e+00 2.92663e+02 89.113  1.12744e+00  7.28248e+01  0.00000e+00 0.00000e+00 2.91509e+02 89.113  1.15380e+00 269.113 0.9931 
1 1 1 17 6  35 o 12 1.40792e+02 5.67796e+00 1.73971e+02 264.274 -2.97123e+00 -2.96326e+01 0.00000e+00 0.00000e+00 1.69422e+02 264.274 4.54899e+00 84.274  0.9831 
1 1 1 17 6  36 o 4  1.22593e+02 6.16058e+00 1.59070e+02 142.530 -1.97811e+01 1.51623e+01  0.00000e+00 0.00000e+00 1.38009e+02 142.530 2.10612e+01 322.530 0.9797 
1 1 1 17 6  38 o 10 1.16349e+02 6.34813e+00 1.57068e+02 281.343 5.12915e+00  -2.55687e+01 0.00000e+00 0.00000e+00 1.23345e+02 281.343 3.37230e+01 101.343 0.9806 
1 1 1 17 6  39 o 9  1.34625e+02 5.88201e+00 1.33402e+02 40.137  2.00614e+01  1.69154e+01  0.00000e+00 0.00000e+00 1.90022e+02 40.137  5.66202e+01 40.137  0.9808 
1 1 1 17 6  40 o 10 1.79022e+02 5.92608e+00 1.20592e+02 217.314 -2.36692e+01 -1.80399e+01 0.00000e+00 0.00000e+00 3.09033e+02 217.314 1.88441e+02 217.314 0.9831 
1 1 1 17 6  41 o 18 4.13787e+01 1.10739e+01 6.94743e+01 345.205 3.49304e+00  -9.22550e-01 0.00000e+00 0.00000e+00 1.57652e+01 345.205 5.37091e+01 165.205 0.8468 
1 1 1 17 6  42 o 18 1.71482e+02 8.03362e+00 2.25335e+02 32.260  5.25282e+01  3.31551e+01  0.00000e+00 0.00000e+00 1.86981e+02 32.260  3.83535e+01 212.260 0.9919 
1 1 1 17 6  43 f 0  1.13238e+02 9.88932e+00 1.49829e+02 192.737 -2.49003e+01 -5.62836e+00 0.00000e+00 0.00000e+00 1.18244e+02 192.737 3.15852e+01 12.737  0.9802 
1 1 1 17 6  44 o 7  5.57938e+01 1.32487e+01 8.07596e+01 314.154 4.03325e+00  -4.15412e+00 0.00000e+00 0.00000e+00 4.12648e+01 314.154 3.94948e+01 134.154 0.9090 
1 1 1 17 6  45 o 12 5.88882e+01 1.13147e+01 5.30655e+01 11.322  4.75312e+00  9.51626e-01  0.00000e+00 0.00000e+00 7.25164e+01 11.322  1.94508e+01 11.322  0.8897 
1 1 1 17 6  46 o 9  8.75551e+01 8.37824e+00 9.10217e+01 290.374 4.77552e+00  -1.28587e+01 0.00000e+00 0.00000e+00 1.10245e+02 290.374 1.92230e+01 290.374 0.9628 
1 1 1 17 6  47 o 13 4.38572e+01 1.13670e+01 5.63772e+01 138.379 -3.03799e+00 2.69928e+00  0.00000e+00 0.00000e+00 3.39306e+01 138.379 2.24466e+01 318.379 0.8659 
1 1 1 17 6  48 o 4  4.70907e+01 1.14918e+01 2.38009e+01 226.264 -1.40974e+00 -1.47337e+00 0.00000e+00 0.00000e+00 5.47208e+01 226.264 3.09199e+01 226.264 0.7041 
1 1 1 17 6  49 o 4  4.38278e+01 1.11047e+01 4.23227e+01 149.772 -3.13550e+00 1.82698e+00  0.00000e+00 0.00000e+00 4.52813e+01 149.772 2.95858e+00 149.772 0.8476 
1 1 1 17 6  50 o 5  5.38773e+01 1.12769e+01 6.08548e+01 212.712 -5.73955e+00 -3.68650e+00 0.00000e+00 0.00000e+00 5.59825e+01 212.712 4.87232e+00 32.712  0.9235 
1 1 1 17 6  51 o 11 6.56626e+01 9.81257e+00 5.57687e+01 77.315  1.85625e+00  8.24674e+00  0.00000e+00 0.00000e+00 8.83646e+01 77.315  3.25958e+01 77.315  0.9388 
1 1 1 17 6  52 o 19 5.53074e+01 1.12476e+01 5.04124e+01 295.150 2.72789e+00  -5.81008e+00 0.00000e+00 0.00000e+00 6.78221e+01 295.150 1.74097e+01 295.150 0.9184 
1 1 1 17 7  0  o 1  5.06199e+02 6.93012e+00 4.61283e+02 0.000   5.74561e+01  0.00000e+00  0.00000e+00 0.00000e+00 8.65213e+02 0.000   4.03930e+02 0.000   1.0000 
1 1 1 17 7  1  o 3  1.24841e+02 7.79344e+00 2.49095e+02 118.593 -7.15224e+00 1.31219e+01  0.00000e+00 0.00000e+00 6.68947e+01 118.593 1.82200e+02 298.593 0.9659 
1 1 1 17 7  2  o 9  1.83661e+02 5.70115e+00 1.15105e+02 26.989  9.20710e+00  4.68905e+00  0.00000e+00 0.00000e+00 3.42182e+02 26.989  2.27077e+02 26.989  0.9503 
1 1 1 17 7  3  o 1  6.90933e+01 1.27850e+01 9.94160e+01 343.687 2.96800e+00  -8.68636e-01 0.00000e+00 0.00000e+00 4.83792e+01 343.687 5.10368e+01 163.687 0.8166 
1 1 1 17 7  4  o 12 3.08588e+02 4.32544e+00 3.39633e+02 133.354 -3.53272e+01 3.74174e+01  0.00000e+00 0.00000e+00 4.60575e+02 133.354 1.20942e+02 133.354 0.9902 
1 1 1 17 7  5  o 9  2.73068e+02 4.42412e+00 2.74529e+02 20.935  3.42484e+01  1.31019e+01  0.00000e+00 0.00000e+00 4.30460e+02 20.935  1.55931e+02 20.935  0.9863 
1 1 1 17 7  6  o 14 1.44899e+02 6.41143e+00 2.55914e+02 109.147 -5.84576e+00 1.68369e+01  0.00000e+00 0.00000e+00 1.12411e+02 109.147 1.43503e+02 289.147 0.9715 
1 1 1 17 7  7  o 6  1.73125e+02 5.04254e+00 1.92793e+02 316.884 1.17728e+01  -1.10229e+01 0.00000e+00 0.00000e+00 2.45656e+02 316.884 5.28632e+01 316.884 0.9685 
1 1 1 17 7  8  o 5  1.55353e+02 5.40106e+00 2.29750e+02 116.325 -7.60679e+00 1.53740e+01  0.00000e+00 0.00000e+00 1.64213e+02 116.325 6.55372e+01 296.325 0.9704 
1 1 1 17 7  9  o 10 2.74087e+02 4.14865e+00 2.80956e+02 103.878 -8.88700e+00 3.59693e+01  0.00000e+00 0.00000e+00 4.25058e+02 103.878 1.44102e+02 103.878 0.9864 
1 1 1 17 7  10 o 2  2.30190e+02 4.34381e+00 2.30385e+02 82.131  3.46505e+00  2.50714e+01  0.00000e+00 0.00000e+00 3.58245e+02 82.131  1.27860e+02 82.131  0.9800 
1 1 1 17 7  11 o 15 8.44372e+01 9.08451e+00 1.05929e+02 341.789 3.87135e+00  -1.27362e+00 0.00000e+00 0.00000e+00 8.47717e+01 341.789 2.11569e+01 161.790 0.8664 
1 1 1 17 7  12 o 10 4.56453e+01 1.21234e+01 1.83169e+01 11.733  3.62618e-01  7.53148e-02  0.00000e+00 0.00000e+00 3.32685e+00 11.733  1.49900e+01 191.733 0.1821 
1 1 1 17 7  13 o 1  2.52412e+02 4.48657e+00 3.53776e+02 300.210 2.12775e+01  -3.65443e+01 0.00000e+00 0.00000e+00 2.95054e+02 300.210 5.87222e+01 120.210 0.9881 
1 1 1 17 7  14 o 18 1.89265e+02 5.35146e+00 1.88352e+02 340.568 1.77589e+01  -6.26500e+00 0.00000e+00 0.00000e+00 2.90201e+02 340.568 1.01849e+02 340.568 0.9731 
1 1 1 17 7  15 o 14 2.22615e+02 5.38259e+00 1.85337e+02 240.663 -1.05699e+01 -1.88068e+01 0.00000e+00 0.00000e+00 3.78838e+02 240.663 1.93501e+02 240.663 0.9765 
1 1 1 17 7  16 o 19 2.12232e+02 5.12146e+00 1.96718e+02 308.002 1.33232e+01  -1.70519e+01 0.00000e+00 0.00000e+00 3.40466e+02 308.002 1.43748e+02 308.002 0.9766 
1 1 1 17 7  17 o 17 1.28203e+02 6.73968e+00 1.92326e+02 128.958 -9.09302e+00 1.12458e+01  0.00000e+00 0.00000e+00 1.27783e+02 128.958 6.45422e+01 308.958 0.9648 
1 1 1 17 7  18 o 6  9.22214e+01 8.74526e+00 1.07214e+02 157.502 -5.17639e+00 2.14394e+00  0.00000e+00 0.00000e+00 1.08628e+02 157.502 1.41465e+00 157.502 0.9057 
1 1 1 17 7  19 o 6  1.99632e+02 4.81219e+00 2.12066e+02 183.578 -2.30828e+01 -1.44318e+00 0.00000e+00 0.00000e+00 2.91725e+02 183.578 7.96591e+01 183.578 0.9781 
1 1 1 17 7  20 o 10 1.11271e+02 6.66401e+00 1.69065e+02 91.041  -2.45268e-01 1.35035e+01  0.00000e+00 0.00000e+00 1.06709e+02 91.041  6.23564e+01 271.041 0.9622 
1 1 1 17 7  21 o 8  1.63730e+02 4.97199e+00 2.06693e+02 166.158 -2.37193e+01 5.84444e+00  0.00000e+00 0.00000e+00 2.05569e+02 166.158 1.12400e+00 346.158 0.9793 
1 1 1 17 7  22 o 8  1.48802e+02 5.35161e+00 1.78157e+02 9.091   1.95359e+01  3.12605e+00  0.00000e+00 0.00000e+00 1.93942e+02 9.091   1.57845e+01 9.091   0.9744 
1 1 1 17 7  23 o 14 3.54668e+02 4.01296e+00 4.05291e+02 113.631 -4.29067e+01 9.80625e+01  0.00000e+00 0.00000e+00 4.98895e+02 113.631 9.36042e+01 113.631 0.9953 
1 1 1 17 7  24 o 9  1.23473e+02 6.18710e+00 2.09305e+02 7.394   1.88219e+01  2.44264e+00  0.00000e+00 0.00000e+00 9.78854e+01 7.394   1.11419e+02 187.394 0.9733 
1 1 1 17 7  25 o 14 1.89225e+02 4.59778e+00 1.39896e+02 316.054 1.43880e+01  -1.38681e+01 0.00000e+00 0.00000e+00 3.30542e+02 316.054 1.90646e+02 316.054 0.9746 
1 1 1 17 7  26 o 9  9.13115e+01 7.63452e+00 1.21919e+02 129.500 -5.60464e+00 6.79903e+00  0.00000e+00 0.00000e+00 9.68712e+01 129.500 2.50480e+01 309.500 0.9414 
1 1 1 17 7  27 o 6  1.37629e+02 5.51984e+00 2.07602e+02 285.600 6.15876e+00  -2.20580e+01 0.00000e+00 0.00000e+00 1.34173e+02 285.600 7.34293e+01 105.600 0.9779 
1 1 1 17 7  28 o 1  1.47724e+02 5.48674e+00 1.81452e+02 355.190 2.05500e+01  -1.72933e+00 0.00000e+00 0.00000e+00 1.83598e+02 355.190 2.14620e+00 355.190 0.9754 
1 1 1 17 7  29 o 16 7.02554e+01 9.35025e+00 9.08836e+01 255.772 -1.41852e+00 -5.59441e+00 0.00000e+00 0.00000e+00 7.04438e+01 255.772 2.04399e+01 75.772  0.9087 
1 1 1 17 7  30 o 6  1.25098e+02 5.74020e+00 1.50364e+02 343.225 1.53920e+01  -4.63980e+00 0.00000e+00 0.00000e+00 1.55001e+02 343.225 4.63656e+00 343.225 0.9684 
1 1 1 17 7  31 o 17 1.28928e+02 5.65314e+00 1.69646e+02 165.996 -2.25118e+01 5.61427e+00  0.00000e+00 0.00000e+00 1.47426e+02 165.996 2.22204e+01 345.996 0.9782 
1 1 1 17 7  32 o 3  3.95729e+01 1.07093e+01 3.69725e+01 215.358 -1.17206e+00 -8.31641e-01 0.00000e+00 0.00000e+00 2.05953e+01 215.358 1.63773e+01 35.358  0.5802 
1 1 1 17 7  33 o 16 1.43052e+02 5.13055e+00 1.73337e+02 317.878 1.92110e+01  -1.73720e+01 0.00000e+00 0.00000e+00 1.77353e+02 317.878 4.01590e+00 317.878 0.9805 
1 1 1 17 7  34 o 14 9.16879e+01 7.73862e+00 1.03189e+02 211.683 -9.40208e+00 -5.80293e+00 0.00000e+00 0.00000e+00 1.14788e+02 211.683 1.15991e+01 211.683 0.9536 
1 1 1 17 7  35 o 4  7.64343e+01 9.84817e+00 1.11887e+02 323.756 8.06835e+00  -5.91462e+00 0.00000e+00 0.00000e+00 6.83383e+01 323.756 4.35489e+01 143.756 0.9486 
1 1 1 17 7  37 o 1  4.64942e+01 1.14311e+01 1.69458e+01 126.467 -5.77507e-01 7.81404e-01  0.00000e+00 0.00000e+00 3.31587e+01 126.467 1.62128e+01 126.467 0.4363 
1 1 1 17 7  38 o 16 8.62971e+01 7.45761e+00 9.78863e+01 293.861 4.82383e+00  -1.09056e+01 0.00000e+00 0.00000e+00 1.05485e+02 293.861 7.59850e+00 293.861 0.9571 
1 1 1 17 7  39 o 19 3.94857e+01 1.02649e+01 9.08096e+01 242.321 -2.05824e+00 -3.92385e+00 0.00000e+00 0.00000e+00 5.70461e+00 62.321  9.65142e+01 62.321  0.8783 
1 1 1 17 7  40 o 1  4.25755e+01 1.10698e+01 5.23755e+01 327.826 2.37839e+00  -1.49624e+00 0.00000e+00 0.00000e+00 3.03949e+01 327.826 2.19806e+01 147.826 0.7949 
1 1 1 17 7  41 o 8  5.20101e+01 1.08484e+01 4.95844e+01 261.678 -5.45195e-01 -3.72723e+00 0.00000e+00 0.00000e+00 5.86581e+01 261.678 9.07375e+00 261.678 0.8539 
1 1 1 17 7  42 o 10 4.36999e+01 1.12685e+01 1.14420e+02 188.106 -7.09442e+00 -1.01048e+00 0.00000e+00 0.00000e+00 1.60062e+01 8.106   1.30427e+02 8.106   0.9273 
1 1 1 17 7  43 o 6  4.14480e+01 1.02190e+01 3.40877e+01 347.485 1.99877e+00  -4.43656e-01 0.00000e+00 0.00000e+00 3.66563e+01 347.485 2.56864e+00 347.485 0.7054 
1 1 1 17 7  44 o 18 8.84165e+01 7.52373e+00 9.52918e+01 7.519   1.50138e+01  1.98172e+00  0.00000e+00 0.00000e+00 1.10679e+02 7.519   1.53867e+01 7.519   0.9664 
1 1 1 17 7  45 o 3  1.14250e+02 8.36249e+00 1.28470e+02 178.038 -2.53885e+01 8.69648e-01  0.00000e+00 0.00000e+00 1.40423e+02 178.038 1.19529e+01 178.038 0.9801 
1 1 1 17 7  46 o 18 5.75925e+01 1.19386e+01 8.62727e+01 26.138  7.17171e+00  3.51923e+00  0.00000e+00 0.00000e+00 4.25480e+01 26.138  4.37247e+01 206.138 0.9351 
1 1 1 17 7  47 o 5  4.76570e+01 1.20078e+01 5.16190e+01 333.697 3.74712e+00  -1.85215e+00 0.00000e+00 0.00000e+00 4.71671e+01 333.697 4.45185e+00 153.697 0.8701 
1 1 1 17 7  48 o 7  6.51661e+01 1.09052e+01 9.89034e+01 266.301 -8.25130e-01 -1.27648e+01 0.00000e+00 0.00000e+00 4.95362e+01 266.301 4.93672e+01 86.301  0.9601 
1 1 1 17 7  49 o 4  8.55336e+01 9.46356e+00 1.04819e+02 61.417  9.03238e+00  1.65783e+01  0.00000e+00 0.00000e+00 9.18424e+01 61.417  1.29761e+01 241.417 0.9731 
1 1 1 17 7  50 f 0  1.18749e+02 7.00061e+00 1.42667e+02 128.973 -2.83796e+01 3.50801e+01  0.00000e+00 0.00000e+00 1.33589e+02 128.973 9.07885e+00 308.973 0.9889 
1 1 1 17 7  51 o 12 6.83858e+01 1.07582e+01 6.21240e+01 303.283 5.00431e+00  -7.62330e+00 0.00000e+00 0.00000e+00 8.90053e+01 303.283 2.68813e+01 303.283 0.9435 
1 1 1 17 8  0  o 19 8.90728e+01 1.42835e+01 6.59992e+01 0.000   1.34182e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.38000e+02 0.000   7.20004e+01 0.000   0.8721 
1 1 1 17 8  1  o 2  1.50512e+02 6.23631e+00 2.32284e+02 133.960 -1.15101e+01 1.19357e+01  0.00000e+00 0.00000e+00 1.50848e+02 133.960 8.14364e+01 313.960 0.9694 
1 1 1 17 8  2  o 4  7.58075e+01 1.11972e+01 5.73331e+01 88.051  6.64639e-02  1.95284e+00  0.00000e+00 0.00000e+00 8.00207e+01 88.051  2.26877e+01 88.051  0.6901 
1 1 1 17 8  3  o 13 2.32807e+02 4.77955e+00 2.44638e+02 181.062 -2.71991e+01 -5.04190e-01 0.00000e+00 0.00000e+00 3.55159e+02 181.062 1.10521e+02 181.062 0.9814 
1 1 1 17 8  4  o 11 1.33789e+02 6.35404e+00 2.45868e+02 39.665  1.19330e+01  9.89458e+00  0.00000e+00 0.00000e+00 9.37128e+01 39.665  1.52155e+02 219.665 0.9672 
1 1 1 17 8  5  o 5  1.83564e+02 5.16375e+00 2.45929e+02 303.381 1.17660e+01  -1.78572e+01 0.00000e+00 0.00000e+00 2.24211e+02 303.381 2.17177e+01 123.381 0.9763 
1 1 1 17 8  6  o 18 2.02737e+02 4.86285e+00 1.61217e+02 251.681 -4.94641e+00 -1.49396e+01 0.00000e+00 0.00000e+00 3.53188e+02 251.681 1.91971e+02 251.681 0.9677 
1 1 1 17 8  7  o 5  3.69555e+02 4.26723e+00 4.16486e+02 338.546 6.88774e+01  -2.70680e+01 0.00000e+00 0.00000e+00 5.45388e+02 338.546 1.28902e+02 338.546 0.9932 
1 1 1 17 8  8  o 9  2.67948e+02 4.45127e+00 2.60208e+02 189.613 -3.28378e+01 -5.56190e+00 0.00000e+00 0.00000e+00 4.30893e+02 189.613 1.70685e+02 189.613 0.9849 
1 1 1 17 8  9  f 0  1.21787e+02 7.29388e+00 2.35305e+02 318.481 9.97888e+00  -8.83442e+00 0.00000e+00 0.00000e+00 7.12038e+01 318.481 1.64101e+02 138.481 0.9617 
1 1 1 17 8  10 o 1  2.14437e+02 5.17036e+00 2.48927e+02 307.609 1.73202e+01  -2.24832e+01 0.00000e+00 0.00000e+00 3.01813e+02 307.609 5.28868e+01 307.609 0.9822 
1 1 1 17 8  11 o 16 1.79311e+02 6.33401e+00 1.78065e+02 109.886 -5.68029e+00 1.57038e+01  0.00000e+00 0.00000e+00 2.76122e+02 109.886 9.80576e+01 109.886 0.9696 
1 1 1 17 8  12 o 7  6.20125e+01 1.22916e+01 1.05506e+02 304.043 1.76790e+00  -2.61678e+00 0.00000e+00 0.00000e+00 2.73698e+01 304.043 7.81362e+01 124.043 0.8210 
1 1 1 17 8  13 f 0  2.09927e+02 5.18057e+00 1.83406e+02 19.888  2.18260e+01  7.89557e+00  0.00000e+00 0.00000e+00 3.51955e+02 19.888  1.68549e+02 19.888  0.9782 
1 1 1 17 8  14 o 5  2.12406e+02 4.86032e+00 2.35186e+02 124.762 -1.70586e+01 2.45789e+01  0.00000e+00 0.00000e+00 3.08593e+02 124.762 7.34069e+01 124.762 0.9831 
1 1 1 17 8  15 o 14 9.94807e+01 7.61484e+00 1.46986e+02 356.840 8.43636e+00  -4.65771e-01 0.00000e+00 0.00000e+00 9.59059e+01 356.840 5.10802e+01 176.840 0.9388 
1 1 1 17 8  16 o 11 1.14770e+02 6.61684e+00 1.98419e+02 150.541 -1.07636e+01 6.07973e+00  0.00000e+00 0.00000e+00 8.73450e+01 150.541 1.11074e+02 330.540 0.9587 
1 1 1 17 8  17 o 4  1.75475e+02 4.89770e+00 2.60786e+02 160.099 -2.34220e+01 8.47910e+00  0.00000e+00 0.00000e+00 1.85089e+02 160.099 7.56973e+01 340.099 0.9797 
1 1 1 17 8  18 o 15 2.17282e+02 4.43938e+00 2.05745e+02 341.189 3.10566e+01  -1.05789e+01 0.00000e+00 0.00000e+00 3.48297e+02 341.189 1.42552e+02 341.189 0.9846 
1 1 1 17 8  19 o 16 4.88615e+01 1.10496e+01 7.33228e+01 252.267 -7.22189e-01 -2.25845e+00 0.00000e+00 0.00000e+00 2.14540e+01 252.267 5.18688e+01 72.267  0.7502 
1 1 1 17 8  20 o 8  1.23044e+02 6.28628e+00 2.27144e+02 36.904  1.65285e+01  1.24119e+01  0.00000e+00 0.00000e+00 8.26738e+01 36.904  1.44470e+02 216.904 0.9755 
1 1 1 17 8  21 o 18 1.55054e+02 5.18857e+00 1.75492e+02 241.197 -9.89968e+00 -1.80049e+01 0.00000e+00 0.00000e+00 2.14175e+02 241.197 3.86831e+01 241.197 0.9754 
1 1 1 17 8  22 o 8  1.60501e+02 5.05525e+00 2.29646e+02 70.470  9.19513e+00  2.59238e+01  0.00000e+00 0.00000e+00 1.75562e+02 70.470  5.40837e+01 250.470 0.9817 
1 1 1 17 8  23 o 19 1.40133e+02 5.49237e+00 1.39361e+02 232.337 -8.97664e+00 -1.16298e+01 0.00000e+00 0.00000e+00 2.07874e+02 232.337 6.85131e+01 232.337 0.9653 
1 1 1 17 8  24 o 14 1.23749e+02 5.92418e+00 1.52902e+02 253.318 -4.42945e+00 -1.47813e+01 0.00000e+00 0.00000e+00 1.53650e+02 253.318 7.47890e-01 253.318 0.9670 
1 1 1 17 8  25 o 9  1.97624e+02 4.49064e+00 2.09811e+02 11.482  3.31682e+01  6.73724e+00  0.00000e+00 0.00000e+00 2.87844e+02 11.482  7.80334e+01 11.482  0.9851 
1 1 1 17 8  26 o 1  7.08441e+01 9.51412e+00 6.85393e+01 229.693 -2.30018e+00 -2.71161e+00 0.00000e+00 0.00000e+00 8.39626e+01 229.693 1.54233e+01 229.693 0.8440 
1 1 1 17 8  27 o 7  5.58128e+01 1.10536e+01 4.68342e+01 83.424  2.62294e-01  2.27540e+00  0.00000e+00 0.00000e+00 5.82913e+01 83.424  1.14571e+01 83.424  0.7402 
1 1 1 17 8  28 o 18 1.09992e+02 6.31700e+00 1.21395e+02 120.402 -5.79347e+00 9.87406e+00  0.00000e+00 0.00000e+00 1.45359e+02 120.402 2.39635e+01 120.402 0.9553 
1 1 1 17 8  29 o 2  8.23159e+01 8.19862e+00 1.33154e+02 180.622 -1.12232e+01 -1.21810e-01 0.00000e+00 0.00000e+00 6.57981e+01 180.622 6.73563e+01 0.622   0.9544 
1 1 1 17 8  30 o 13 6.02347e+01 1.04897e+01 9.13517e+01 91.882  -1.72864e-01 5.26088e+00  0.00000e+00 0.00000e+00 4.54634e+01 91.882  4.58883e+01 271.882 0.8992 
1 1 1 17 8  31 o 9  9.11984e+01 7.35743e+00 3.37967e+01 247.795 -1.23153e+00 -3.01699e+00 0.00000e+00 0.00000e+00 1.56322e+02 247.795 1.22525e+02 247.795 0.8274 
1 1 1 17 8  32 o 17 3.88428e+01 1.08909e+01 4.13587e+01 237.967 -7.91584e-01 -1.26517e+00 0.00000e+00 0.00000e+00 1.66385e+01 237.967 2.47202e+01 57.967  0.5942 
1 1 1 17 8  33 o 19 3.23591e+01 9.95997e+00 8.02728e+01 243.772 -1.26470e+00 -2.56706e+00 0.00000e+00 0.00000e+00 1.54736e+01 63.772  9.57463e+01 63.772  0.7992 
1 1 1 17 8  34 o 10 8.92636e+01 1.26257e+01 7.76562e+01 226.270 -5.12679e+00 -5.35921e+00 0.00000e+00 0.00000e+00 1.29725e+02 226.270 5.20689e+01 226.270 0.9299 
1 1 1 17 8  35 o 18 4.32427e+01 1.20349e+01 6.52338e+01 104.932 -6.44217e-01 2.41570e+00  0.00000e+00 0.00000e+00 1.71690e+01 104.932 4.80647e+01 284.932 0.7650 
1 1 1 17 8  36 o 9  1.18093e+02 5.81089e+00 1.41826e+02 6.105   2.40772e+01  2.57510e+00  0.00000e+00 0.00000e+00 1.45314e+02 6.105   3.48796e+00 6.105   0.9791 
1 1 1 17 8  37 o 4  6.16567e+01 1.01487e+01 7.69834e+01 111.532 -2.27060e+00 5.75470e+00  0.00000e+00 0.00000e+00 6.26992e+01 111.532 1.42843e+01 291.532 0.9152 
1 1 1 17 8  38 o 19 8.56154e+01 8.02194e+00 1.07160e+02 243.448 -5.77821e+00 -1.15628e+01 0.00000e+00 0.00000e+00 9.57530e+01 243.448 1.14070e+01 63.448  0.9605 
1 1 1 17 8  39 o 15 3.32938e+01 1.01739e+01 2.69708e+01 172.952 -1.20766e+00 1.49318e-01  0.00000e+00 0.00000e+00 1.54408e+01 172.952 1.15300e+01 352.952 0.5180 
1 1 1 17 8  40 o 5  1.08329e+02 7.13676e+00 8.26776e+01 248.019 -5.56355e+00 -1.37836e+01 0.00000e+00 0.00000e+00 1.73740e+02 248.019 9.10626e+01 248.019 0.9658 
1 1 1 17 8  41 o 2  5.94365e+01 1.07205e+01 9.55238e+01 200.001 -7.81587e+00 -2.84484e+00 0.00000e+00 0.00000e+00 4.06158e+01 200.001 5.49080e+01 20.001  0.9378 
1 1 1 17 8  42 o 11 7.45594e+01 9.24254e+00 8.38971e+01 101.803 -1.92108e+00 9.19361e+00  0.00000e+00 0.00000e+00 8.76063e+01 101.803 3.70913e+00 101.803 0.9452 
1 1 1 17 8  43 o 1  4.67366e+01 1.11384e+01 6.75617e+01 356.209 4.93466e+00  -3.26990e-01 0.00000e+00 0.00000e+00 3.35365e+01 356.209 3.40252e+01 176.209 0.8921 
1 1 1 17 8  44 o 9  3.09317e+01 9.65291e+00 3.22923e+01 161.455 -1.56687e+00 5.25636e-01  0.00000e+00 0.00000e+00 1.49074e+01 161.455 1.73849e+01 341.455 0.6317 
1 1 1 17 8  45 o 18 4.16796e+01 1.06911e+01 3.60360e+01 195.543 -2.46525e+00 -6.85677e-01 0.00000e+00 0.00000e+00 4.13195e+01 195.543 5.28353e+00 195.543 0.7712 
1 1 1 17 8  46 o 19 1.25294e+02 6.31010e+00 1.57354e+02 255.211 -1.15426e+01 -4.37198e+01 0.00000e+00 0.00000e+00 1.39636e+02 255.211 1.77175e+01 75.211  0.9889 
1 1 1 17 8  47 o 6  5.15049e+01 1.02952e+01 6.90358e+01 273.155 4.01563e-01  -7.28551e+00 0.00000e+00 0.00000e+00 4.51605e+01 273.155 2.38753e+01 93.155  0.9287 
1 1 1 17 8  48 o 17 6.68653e+01 1.15415e+01 4.78666e+01 174.507 -6.06556e+00 5.83245e-01  0.00000e+00 0.00000e+00 9.74095e+01 174.507 4.95429e+01 174.507 0.9138 
1 1 1 17 8  49 o 5  1.31136e+02 6.34531e+00 1.58171e+02 13.357  5.55272e+01  1.31839e+01  0.00000e+00 0.00000e+00 1.49590e+02 13.357  8.58096e+00 193.357 0.9912 
1 1 1 17 8  50 o 12 5.34241e+01 1.22694e+01 6.99282e+01 90.416  -5.36788e-02 7.38984e+00  0.00000e+00 0.00000e+00 4.71647e+01 90.416  2.27635e+01 270.416 0.9296 
1 1 1 17 9  0  o 4  2.29115e+01 1.56760e+01 1.22035e+00 180.000 -6.98285e-03 0.00000e+00  0.00000e+00 0.00000e+00 7.99196e-01 0.000   2.01954e+00 0.000   0.0070 
1 1 1 17 9  1  o 2  3.33828e+02 4.28336e+00 3.99043e+02 43.715  5.16236e+01  4.93578e+01  0.00000e+00 0.00000e+00 4.73532e+02 43.715  7.44896e+01 43.715  0.9930 
1 1 1 17 9  2  o 14 7.09540e+01 1.11815e+01 1.01900e+02 6.277   3.58011e+00  3.93777e-01  0.00000e+00 0.00000e+00 5.61365e+01 6.277   4.57638e+01 186.277 0.8462 
1 1 1 17 9  3  o 12 1.22042e+02 7.93995e+00 1.02410e+02 75.994  1.56808e+00  6.28620e+00  0.00000e+00 0.00000e+00 1.92791e+02 75.994  9.03806e+01 75.994  0.9192 
1 1 1 17 9  4  o 14 8.85598e+01 1.09047e+01 5.28287e+01 328.969 1.99738e+00  -1.20160e+00 0.00000e+00 0.00000e+00 1.20800e+02 328.969 6.79716e+01 328.969 0.7453 
1 1 1 17 9  5  o 17 2.86204e+02 5.14052e+00 3.55673e+02 186.778 -5.34467e+01 -6.35202e+00 0.00000e+00 0.00000e+00 3.89909e+02 186.778 3.42359e+01 186.778 0.9907 
1 1 1 17 9  6  o 1  1.69391e+02 7.19111e+00 1.64319e+02 122.662 -7.77638e+00 1.21308e+01  0.00000e+00 0.00000e+00 2.65165e+02 122.662 1.00846e+02 122.662 0.9647 
1 1 1 17 9  7  o 19 1.50838e+02 6.89489e+00 1.57102e+02 176.965 -1.22316e+01 6.48548e-01  0.00000e+00 0.00000e+00 2.22597e+02 176.965 6.54954e+01 176.965 0.9583 
1 1 1 17 9  8  o 10 1.46571e+02 6.94578e+00 1.87583e+02 261.719 -2.35808e+00 -1.62013e+01 0.00000e+00 0.00000e+00 1.85252e+02 261.719 2.33057e+00 81.719  0.9690 
1 1 1 17 9  9  o 3  1.63694e+02 5.94811e+00 1.94228e+02 301.905 1.00508e+01  -1.61441e+01 0.00000e+00 0.00000e+00 2.23739e+02 301.905 2.95107e+01 301.905 0.9733 
1 1 1 17 9  10 o 4  3.95065e+01 1.17756e+01 3.95364e+01 77.664  1.83584e-01  8.39430e-01  0.00000e+00 0.00000e+00 1.29521e+00 77.664  3.82412e+01 257.664 0.3943 
1 1 1 17 9  11 o 9  1.21714e+02 6.63878e+00 1.64000e+02 271.064 2.04051e-01  -1.09908e+01 0.00000e+00 0.00000e+00 1.39876e+02 271.064 2.41241e+01 91.064  0.9534 
1 1 1 17 9  12 o 5  1.22640e+02 6.64761e+00 2.21516e+02 270.426 1.10328e-01  -1.48429e+01 0.00000e+00 0.00000e+00 8.83246e+01 270.426 1.33191e+02 90.426  0.9657 
1 1 1 17 9  13 o 3  1.83139e+02 5.04789e+00 1.56948e+02 63.657  7.00315e+00  1.41430e+01  0.00000e+00 0.00000e+00 3.06235e+02 63.657  1.49287e+02 63.657  0.9678 
1 1 1 17 9  14 o 16 1.08082e+02 7.40767e+00 1.23608e+02 291.197 3.46982e+00  -8.94714e+00 0.00000e+00 0.00000e+00 1.43387e+02 291.197 1.97789e+01 291.197 0.9464 
1 1 1 17 9  15 o 12 1.45090e+02 5.50120e+00 1.87779e+02 1.745   1.98418e+01  6.04475e-01  0.00000e+00 0.00000e+00 1.80821e+02 1.745   6.95865e+00 181.745 0.9745 
1 1 1 17 9  16 o 16 1.67776e+02 5.20234e+00 1.38872e+02 318.028 1.31865e+01  -1.18614e+01 0.00000e+00 0.00000e+00 2.85441e+02 318.028 1.46569e+02 318.028 0.9714 
1 1 1 17 9  17 o 17 1.64330e+02 5.06673e+00 1.12166e+02 260.104 -2.38979e+00 -1.36985e+01 0.00000e+00 0.00000e+00 2.99405e+02 260.104 1.87239e+02 260.104 0.9633 
1 1 1 17 9  18 o 9  1.19678e+02 6.20080e+00 1.86204e+02 50.749  1.06154e+01  1.29922e+01  0.00000e+00 0.00000e+00 1.15064e+02 50.749  7.11402e+01 230.749 0.9697 
1 1 1 17 9  19 o 5  7.67466e+01 9.43506e+00 8.10230e+01 332.636 3.92048e+00  -2.02903e+00 0.00000e+00 0.00000e+00 9.35725e+01 332.636 1.25495e+01 332.636 0.8778 
1 1 1 17 9  20 o 3  1.73924e+02 4.79227e+00 1.58060e+02 223.215 -1.53606e+01 -1.44320e+01 0.00000e+00 0.00000e+00 2.81146e+02 223.215 1.23087e+02 223.215 0.9760 
1 1 1 17 9  21 o 13 7.02879e+01 9.92740e+00 9.68876e+01 154.745 -4.34334e+00 2.04895e+00  0.00000e+00 0.00000e+00 6.44294e+01 154.745 3.24582e+01 334.745 0.8886 
1 1 1 17 9  22 o 1  1.64006e+02 4.95872e+00 1.53954e+02 229.996 -1.33949e+01 -1.59613e+01 0.00000e+00 0.00000e+00 2.58589e+02 229.996 1.04635e+02 229.996 0.9757 
1 1 1 17 9  23 o 3  8.77976e+01 7.72860e+00 9.54040e+01 12.985  6.25580e+00  1.44259e+00  0.00000e+00 0.00000e+00 1.12077e+02 12.985  1.66726e+01 12.985  0.9184 
1 1 1 17 9  24 o 9  4.15108e+01 1.11769e+01 4.88982e+01 287.106 4.24618e-01  -1.37976e+00 0.00000e+00 0.00000e+00 1.31269e+01 287.106 3.57712e+01 107.106 0.5819 
1 1 1 17 9  25 o 8  3.43484e+01 1.01970e+01 3.67912e+01 41.222  8.53154e-01  7.47448e-01  0.00000e+00 0.00000e+00 6.50746e+00 41.222  3.02838e+01 221.222 0.4919 
1 1 1 17 9  26 o 18 7.84131e+01 8.29945e+00 8.55028e+01 19.877  5.26741e+00  1.90435e+00  0.00000e+00 0.00000e+00 9.60735e+01 19.877  1.05707e+01 19.877  0.9057 
1 1 1 17 9  27 o 12 1.07438e+02 6.43495e+00 8.57006e+01 255.890 -2.39337e+00 -9.52166e+00 0.00000e+00 0.00000e+00 1.74013e+02 255.890 8.83120e+01 255.890 0.9476 
1 1 1 17 9  28 o 19 7.04019e+01 1.00477e+01 6.77865e+01 10.504  4.56758e+00  8.46870e-01  0.00000e+00 0.00000e+00 9.06783e+01 10.504  2.28918e+01 10.504  0.8845 
1 1 1 17 9  29 o 3  1.25866e+02 5.94669e+00 9.27402e+01 354.707 1.27134e+01  -1.17791e+00 0.00000e+00 0.00000e+00 2.14011e+02 354.707 1.21271e+02 354.707 0.9600 
1 1 1 17 9  30 o 6  2.27952e+02 4.13133e+00 2.57092e+02 159.537 -5.84595e+01 2.18135e+01  0.00000e+00 0.00000e+00 3.15487e+02 159.537 5.83953e+01 159.537 0.9920 
1 1 1 17 9  31 o 11 7.93122e+01 8.09799e+00 7.60410e+01 11.081  6.90433e+00  1.35226e+00  0.00000e+00 0.00000e+00 1.09429e+02 11.081  3.33880e+01 11.081  0.9259 
1 1 1 17 9  32 o 5  4.12543e+01 1.09498e+01 6.31690e+01 348.686 2.91275e+00  -5.82786e-01 0.00000e+00 0.00000e+00 2.07651e+01 348.686 4.24039e+01 168.686 0.8078 
1 1 1 17 9  34 o 4  6.80835e+01 9.44065e+00 1.12550e+02 17.574  9.71528e+00  3.07694e+00  0.00000e+00 0.00000e+00 4.93634e+01 17.574  6.31865e+01 197.574 0.9496 
1 1 1 17 9  35 o 14 1.15910e+02 6.48832e+00 6.93153e+01 150.411 -1.02372e+01 5.81283e+00  0.00000e+00 0.00000e+00 2.07528e+02 150.411 1.38213e+02 150.411 0.9565 
1 1 1 17 9  36 f 0  8.66148e+01 7.46084e+00 7.53283e+01 267.359 -4.07545e-01 -8.83645e+00 0.00000e+00 0.00000e+00 1.27704e+02 267.359 5.23757e+01 267.359 0.9417 
1 1 1 17 9  37 o 11 7.92896e+01 8.65554e+00 1.06509e+02 162.453 -1.11105e+01 3.51315e+00  0.00000e+00 0.00000e+00 8.16061e+01 162.453 2.49028e+01 342.453 0.9561 
1 1 1 17 9  38 o 16 9.53513e+01 7.11415e+00 1.25387e+02 62.519  8.18190e+00  1.57300e+01  0.00000e+00 0.00000e+00 1.03712e+02 62.519  2.16745e+01 242.519 0.9714 
1 1 1 17 9  39 o 7  8.18104e+01 8.87426e+00 3.13313e+01 268.059 -1.36130e-01 -4.01718e+00 0.00000e+00 0.00000e+00 1.42979e+02 268.059 1.11648e+02 268.059 0.8643 
1 1 1 17 9  40 o 2  9.49730e+01 7.06804e+00 1.06390e+02 339.606 1.54694e+01  -5.75128e+00 0.00000e+00 0.00000e+00 1.19765e+02 339.606 1.33753e+01 339.606 0.9692 
1 1 1 17 9  41 o 19 3.80742e+01 9.65354e+00 7.13828e+01 18.269  4.37067e+00  1.44282e+00  0.00000e+00 0.00000e+00 1.09540e+01 18.269  6.04288e+01 198.269 0.8833 
1 1 1 17 9  42 o 8  9.99360e+01 9.28744e+00 1.02169e+02 275.556 1.66728e+00  -1.71394e+01 0.00000e+00 0.00000e+00 1.34444e+02 275.556 3.22743e+01 275.556 0.9705 
1 1 1 17 9  43 o 9  3.13953e+01 1.00794e+01 1.51868e+01 313.120 5.30188e-01  -5.66180e-01 0.00000e+00 0.00000e+00 1.23855e+01 313.120 2.80136e+00 133.120 0.3613 
1 1 1 17 9  44 o 15 6.69134e+01 1.11257e+01 6.86221e+01 355.872 8.25026e+00  -5.95363e-01 0.00000e+00 0.00000e+00 8.32757e+01 355.872 1.46536e+01 355.872 0.9374 
1 1 1 17 9  45 o 13 3.00069e+01 9.78010e+00 1.42252e+01 17.715  8.08838e-01  2.58370e-01  0.00000e+00 0.00000e+00 1.40322e+01 17.715  1.92997e-01 197.715 0.3904 
1 1 1 17 9  46 o 8  3.65667e+01 1.08523e+01 2.62947e+01 179.940 -1.91835e+00 1.99204e-03  0.00000e+00 0.00000e+00 3.37947e+01 179.940 7.50000e+00 179.940 0.6839 
1 1 1 17 9  47 f 0  2.89118e+01 9.47271e+00 5.32777e+01 91.327  -8.24389e-02 3.55803e+00  0.00000e+00 0.00000e+00 5.12859e+00 91.327  4.81491e+01 271.327 0.8441 
1 1 1 17 9  48 o 17 3.46559e+01 1.01807e+01 3.77825e+01 24.057  2.72957e+00  1.21852e+00  0.00000e+00 0.00000e+00 2.90553e+01 24.057  8.72725e+00 204.057 0.8092 
1 1 1 17 9  49 o 14 4.56993e+01 1.08847e+01 7.70276e+01 214.324 -6.22220e+00 -4.24834e+00 0.00000e+00 0.00000e+00 2.39590e+01 214.324 5.30685e+01 34.324  0.9311 
1 1 1 17 10 0  o 17 2.78834e+01 1.85292e+01 1.63291e+02 180.000 -1.15378e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.03013e+02 0.000   2.66304e+02 0.000   0.8190 
1 1 1 17 10 1  o 15 1.89606e+02 6.09188e+00 1.87967e+02 22.245  1.83655e+01  7.51176e+00  0.00000e+00 0.00000e+00 2.99713e+02 22.245  1.11745e+02 22.245  0.9745 
1 1 1 17 10 2  o 11 7.36550e+01 1.43911e+01 7.96731e+01 102.012 -6.03897e-01 2.83826e+00  0.00000e+00 0.00000e+00 7.63113e+01 102.012 3.36178e+00 282.012 0.8025 
1 1 1 17 10 3  o 18 1.54631e+02 7.01530e+00 1.86918e+02 92.237  -6.20799e-01 1.58948e+01  0.00000e+00 0.00000e+00 2.08043e+02 92.237  2.11257e+01 92.237  0.9680 
1 1 1 17 10 4  o 13 5.22253e+02 4.68435e+00 5.33446e+02 54.493  9.06303e+01  1.27027e+02  0.00000e+00 0.00000e+00 8.39707e+02 54.493  3.06261e+02 54.493  0.9968 
1 1 1 17 10 5  o 12 1.76261e+02 5.72376e+00 2.06434e+02 211.547 -1.71780e+01 -1.05459e+01 0.00000e+00 0.00000e+00 2.46639e+02 211.547 4.02054e+01 211.547 0.9749 
1 1 1 17 10 6  o 5  2.40688e+02 4.60725e+00 2.61247e+02 60.523  1.72206e+01  3.04664e+01  0.00000e+00 0.00000e+00 3.63952e+02 60.523  1.02705e+02 60.523  0.9856 
1 1 1 17 10 7  o 17 5.76404e+01 1.17706e+01 9.65291e+01 281.691 5.75451e-01  -2.78091e+00 0.00000e+00 0.00000e+00 2.45374e+01 281.691 7.19917e+01 101.691 0.7974 
1 1 1 17 10 8  o 10 3.57831e+01 1.09713e+01 2.04707e+01 182.045 -4.99533e-01 -1.78332e-02 0.00000e+00 0.00000e+00 2.36432e+00 182.045 1.81064e+01 2.045   0.2424 
1 1 1 17 10 9  o 6  1.25859e+02 8.98213e+00 9.19688e+01 239.105 -4.18440e+00 -6.99311e+00 0.00000e+00 0.00000e+00 2.18056e+02 239.105 1.26087e+02 239.105 0.9365 
1 1 1 17 10 10 o 4  1.82948e+02 5.08929e+00 2.68854e+02 267.580 -1.53115e+00 -3.62301e+01 0.00000e+00 0.00000e+00 2.05295e+02 267.580 6.35586e+01 87.580  0.9861 
1 1 1 17 10 11 o 18 1.10469e+02 7.13926e+00 1.78472e+02 228.723 -9.30178e+00 -1.05966e+01 0.00000e+00 0.00000e+00 1.01118e+02 228.723 7.73532e+01 48.723  0.9639 
1 1 1 17 10 12 o 13 1.18629e+02 6.48547e+00 1.67199e+02 121.948 -7.89883e+00 1.26664e+01  0.00000e+00 0.00000e+00 1.33382e+02 121.948 3.38163e+01 301.948 0.9659 
1 1 1 17 10 13 o 5  8.79808e+01 8.24214e+00 1.55739e+02 72.319  3.03109e+00  9.50873e+00  0.00000e+00 0.00000e+00 6.29313e+01 72.319  9.28081e+01 252.319 0.9485 
1 1 1 17 10 14 o 18 1.10227e+02 6.61837e+00 1.37074e+02 269.056 -1.88032e-01 -1.14083e+01 0.00000e+00 0.00000e+00 1.38481e+02 269.056 1.40752e+00 269.056 0.9551 
1 1 1 17 10 15 o 11 2.00214e+02 4.58392e+00 2.69756e+02 187.671 -4.09853e+01 -5.52040e+00 0.00000e+00 0.00000e+00 2.47251e+02 187.671 2.25049e+01 7.671   0.9878 
1 1 1 17 10 16 o 3  4.20673e+01 1.16156e+01 8.02077e+01 154.571 -2.07708e+00 9.87565e-01  0.00000e+00 0.00000e+00 1.20909e+00 154.571 7.89986e+01 334.571 0.7414 
1 1 1 17 10 17 o 12 4.47332e+01 1.15692e+01 8.77571e+01 233.007 -1.63546e+00 -2.17087e+00 0.00000e+00 0.00000e+00 3.99042e+00 233.007 8.37667e+01 53.007  0.7868 
1 1 1 17 10 18 o 11 1.10834e+02 6.82576e+00 1.66504e+02 99.564  -2.28090e+00 1.35376e+01  0.00000e+00 0.00000e+00 1.11276e+02 99.564  5.52276e+01 279.564 0.9629 
1 1 1 17 10 19 o 9  1.30678e+02 6.06596e+00 1.61106e+02 269.046 -2.87581e-01 -1.72661e+01 0.00000e+00 0.00000e+00 1.68513e+02 269.046 7.40685e+00 269.046 0.9706 
1 1 1 17 10 20 o 2  5.58344e+01 1.08538e+01 8.45139e+01 67.217  1.33441e+00  3.17710e+00  0.00000e+00 0.00000e+00 3.69105e+01 67.217  4.76034e+01 247.217 0.8382 
1 1 1 17 10 21 o 16 1.47179e+02 5.57527e+00 1.28382e+02 203.459 -1.36250e+01 -5.91261e+00 0.00000e+00 0.00000e+00 2.39723e+02 203.459 1.11341e+02 203.459 0.9657 
1 1 1 17 10 22 o 19 5.52836e+01 1.14811e+01 1.01296e+02 27.687  4.35378e+00  2.28452e+00  0.00000e+00 0.00000e+00 2.60968e+01 27.687  7.51987e+01 207.687 0.8914 
1 1 1 17 10 23 o 3  1.57063e+02 5.17509e+00 1.12132e+02 92.916  -8.82076e-01 1.73161e+01  0.00000e+00 0.00000e+00 2.81230e+02 92.916  1.69098e+02 92.916  0.9707 
1 1 1 17 10 24 o 6  9.81619e+01 7.04657e+00 1.23760e+02 301.285 5.38213e+00  -8.85732e+00 0.00000e+00 0.00000e+00 1.16466e+02 301.285 7.29466e+00 121.285 0.9505 
1 1 1 17 10 25 o 17 1.17329e+02 6.39220e+00 1.37642e+02 27.046  1.53726e+01  7.84831e+00  0.00000e+00 0.00000e+00 1.54952e+02 27.046  1.73097e+01 27.046  0.9706 
1 1 1 17 10 26 o 18 1.00609e+02 6.82398e+00 1.20610e+02 240.942 -6.46036e+00 -1.16271e+01 0.00000e+00 0.00000e+00 1.27430e+02 240.942 6.81954e+00 240.942 0.9616 
1 1 1 17 10 27 o 9  6.22060e+01 1.03761e+01 5.60401e+01 340.558 3.27650e+00  -1.15655e+00 0.00000e+00 0.00000e+00 7.75788e+01 340.558 2.15387e+01 340.558 0.8398 
1 1 1 17 10 28 o 4  8.84629e+01 8.30620e+00 8.84468e+01 275.647 7.69414e-01  -7.78142e+00 0.00000e+00 0.00000e+00 1.22321e+02 275.647 3.38737e+01 275.647 0.9337 
1 1 1 17 10 29 o 2  3.55282e+01 1.06092e+01 7.37123e+01 74.845  7.50284e-01  2.77015e+00  0.00000e+00 0.00000e+00 1.37158e+00 254.845 7.50838e+01 254.845 0.7999 
1 1 1 17 10 30 o 4  4.23948e+01 1.08918e+01 2.68787e+01 21.700  1.21517e+00  4.83571e-01  0.00000e+00 0.00000e+00 3.17786e+01 21.700  4.89985e+00 21.700  0.5449 
1 1 1 17 10 32 o 4  5.31677e+01 1.10885e+01 5.21738e+01 172.865 -3.48732e+00 4.36535e-01  0.00000e+00 0.00000e+00 6.08674e+01 172.865 8.69358e+00 172.865 0.8419 
1 1 1 17 10 33 o 2  4.10764e+01 1.09672e+01 6.17493e+01 24.176  2.98750e+00  1.34116e+00  0.00000e+00 0.00000e+00 2.39486e+01 24.176  3.78007e+01 204.176 0.8284 
1 1 1 17 10 34 o 6  7.58310e+01 9.23121e+00 7.60472e+01 122.359 -4.02212e+00 6.34794e+00  0.00000e+00 0.00000e+00 1.01213e+02 122.359 2.51660e+01 122.359 0.9309 
1 1 1 17 10 35 o 5  1.15849e+02 6.49091e+00 1.30833e+02 196.868 -2.14435e+01 -6.50191e+00 0.00000e+00 0.00000e+00 1.52672e+02 196.868 2.18391e+01 196.868 0.9774 
1 1 1 17 10 36 f 0  7.62227e+01 9.18777e+00 7.30143e+01 141.292 -6.12882e+00 4.91148e+00  0.00000e+00 0.00000e+00 1.04681e+02 141.292 3.16668e+01 141.292 0.9340 
1 1 1 17 10 37 o 17 4.97541e+01 1.12601e+01 5.19739e+01 206.199 -3.36037e+00 -1.65345e+00 0.00000e+00 0.00000e+00 5.36205e+01 206.199 1.64659e+00 206.199 0.8530 
1 1 1 17 10 38 o 11 1.81184e+02 5.02469e+00 1.97921e+02 323.052 5.06930e+01  -3.81272e+01 0.00000e+00 0.00000e+00 2.47889e+02 323.052 4.99682e+01 323.052 0.9921 
1 1 1 17 10 39 o 13 9.65094e+01 7.87570e+00 1.11111e+02 14.044  1.65285e+01  4.13445e+00  0.00000e+00 0.00000e+00 1.20344e+02 14.044  9.23323e+00 14.044  0.9702 
1 1 1 17 10 40 o 10 7.00704e+01 1.01759e+01 5.78839e+01 293.941 2.71966e+00  -6.12534e+00 0.00000e+00 0.00000e+00 1.01280e+02 293.941 4.33966e+01 293.941 0.9220 
1 1 1 17 10 41 o 8  6.79105e+01 1.16485e+01 6.36336e+01 304.062 3.73027e+00  -5.51752e+00 0.00000e+00 0.00000e+00 9.00005e+01 304.062 2.63670e+01 304.062 0.9215 
1 1 1 17 10 42 o 7  2.53059e+01 8.57424e+00 3.03396e+01 234.640 -8.38203e-01 -1.18120e+00 0.00000e+00 0.00000e+00 5.75649e+00 234.640 2.45831e+01 54.640  0.5831 
1 1 1 17 10 43 o 14 5.75454e+01 1.11550e+01 4.55737e+01 269.264 -6.04210e-02 -4.70625e+00 0.00000e+00 0.00000e+00 7.87029e+01 269.264 3.31292e+01 269.264 0.8861 
1 1 1 17 10 44 o 4  4.85366e+01 1.10452e+01 5.85197e+01 206.087 -4.76359e+00 -2.33234e+00 0.00000e+00 0.00000e+00 4.75445e+01 206.087 1.09751e+01 26.087  0.9000 
1 1 1 17 10 45 o 14 4.14221e+01 1.14158e+01 2.48602e+01 26.252  1.79138e+00  8.83479e-01  0.00000e+00 0.00000e+00 4.50076e+01 26.252  2.01475e+01 26.252  0.6973 
1 1 1 17 10 46 o 12 6.72128e+01 1.24957e+01 1.04262e+02 51.007  8.59184e+00  1.06127e+01  0.00000e+00 0.00000e+00 5.16271e+01 51.007  5.26346e+01 231.007 0.9627 
1 1 1 17 10 47 o 8  9.73713e+01 9.46208e+00 9.33839e+01 208.011 -1.90476e+01 -1.01324e+01 0.00000e+00 0.00000e+00 1.34793e+02 208.011 4.14093e+01 208.011 0.9765 
1 1 1 17 10 48 o 8  6.73263e+01 1.16575e+01 7.38807e+01 196.794 -1.07463e+01 -3.24321e+00 0.00000e+00 0.00000e+00 7.96756e+01 196.794 5.79493e+00 196.794 0.9544 
1 1 1 17 11 0  o 16 1.71484e+02 8.26610e+00 2.57571e+02 0.000   1.69212e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.96427e+02 0.000   6.11445e+01 180.000 1.0000 
1 1 1 17 11 1  o 18 1.24938e+02 6.63625e+00 2.07660e+02 172.969 -1.95275e+01 2.40855e+00  0.00000e+00 0.00000e+00 1.14577e+02 172.969 9.30828e+01 352.969 0.9742 
1 1 1 17 11 2  o 4  9.53958e+01 8.66173e+00 1.14968e+02 19.483  7.59774e+00  2.68799e+00  0.00000e+00 0.00000e+00 1.21317e+02 19.483  6.34845e+00 19.483  0.9357 
1 1 1 17 11 3  o 9  1.26401e+02 6.56192e+00 1.56202e+02 218.620 -1.16812e+01 -9.33177e+00 0.00000e+00 0.00000e+00 1.66922e+02 218.620 1.07200e+01 218.620 0.9660 
1 1 1 17 11 4  f 0  1.15216e+02 7.10041e+00 1.32342e+02 71.915  3.55049e+00  1.08723e+01  0.00000e+00 0.00000e+00 1.58830e+02 71.915  2.64878e+01 71.915  0.9552 
1 1 1 17 11 5  o 15 5.57791e+01 1.25889e+01 5.47999e+01 269.205 -2.86455e-02 -2.06549e+00 0.00000e+00 0.00000e+00 4.96803e+01 269.205 5.11963e+00 89.205  0.7083 
1 1 1 17 11 6  o 11 2.84602e+02 4.39967e+00 3.13583e+02 149.226 -5.89711e+01 3.51177e+01  0.00000e+00 0.00000e+00 4.33222e+02 149.226 1.19640e+02 149.226 0.9927 
1 1 1 17 11 7  o 19 8.03795e+01 9.95349e+00 1.68784e+02 284.177 2.35494e+00  -9.32263e+00 0.00000e+00 0.00000e+00 3.22030e+01 284.177 1.36581e+02 104.177 0.9465 
1 1 1 17 11 8  o 13 5.56526e+01 1.21994e+01 5.15106e+01 268.302 -5.83920e-02 -1.96990e+00 0.00000e+00 0.00000e+00 5.03008e+01 268.302 1.20976e+00 88.302  0.6929 
1 1 1 17 11 9  o 9  5.31836e+01 1.20498e+01 7.19982e+01 86.304  1.69478e-01  2.62366e+00  0.00000e+00 0.00000e+00 3.72116e+01 86.304  3.47866e+01 266.304 0.7783 
1 1 1 17 11 10 o 12 8.64930e+01 8.28425e+00 9.75796e+01 165.723 -6.00139e+00 1.52720e+00  0.00000e+00 0.00000e+00 1.11100e+02 165.723 1.35201e+01 165.723 0.9153 
1 1 1 17 11 11 o 10 7.48619e+01 9.76670e+00 1.39253e+02 141.765 -5.82215e+00 4.58736e+00  0.00000e+00 0.00000e+00 4.40816e+01 141.765 9.51716e+01 321.765 0.9299 
1 1 1 17 11 12 o 5  2.16941e+02 4.38911e+00 2.20421e+02 178.083 -3.72985e+01 1.24825e+00  0.00000e+00 0.00000e+00 3.42667e+02 178.083 1.22245e+02 178.083 0.9865 
1 1 1 17 11 13 f 0  3.30028e+01 1.03495e+01 4.19513e+01 280.356 1.76962e-01  -9.68360e-01 0.00000e+00 0.00000e+00 3.71376e+00 100.356 4.56651e+01 100.356 0.4408 
1 1 1 17 11 14 o 15 9.46254e+01 7.76183e+00 1.31832e+02 183.250 -1.01220e+01 -5.74792e-01 0.00000e+00 0.00000e+00 1.03987e+02 183.250 2.78448e+01 3.250   0.9493 
1 1 1 17 11 15 o 1  8.30242e+01 8.97481e+00 1.31484e+02 118.204 -4.07080e+00 7.59080e+00  0.00000e+00 0.00000e+00 7.31411e+01 118.204 5.83426e+01 298.204 0.9400 
1 1 1 17 11 16 o 18 1.62537e+02 5.15522e+00 1.90263e+02 121.072 -1.32157e+01 2.19320e+01  0.00000e+00 0.00000e+00 2.26928e+02 121.072 3.66647e+01 121.072 0.9803 
1 1 1 17 11 17 o 16 5.87561e+01 1.08656e+01 5.95534e+01 272.207 9.83427e-02  -2.55179e+00 0.00000e+00 0.00000e+00 5.88492e+01 272.207 7.04248e-01 92.207  0.7707 
1 1 1 17 11 18 o 14 1.99595e+02 4.44229e+00 2.41513e+02 24.684  3.49090e+01  1.60443e+01  0.00000e+00 0.00000e+00 2.72748e+02 24.684  3.12349e+01 24.684  0.9869 
1 1 1 17 11 19 o 4  6.35691e+01 1.05416e+01 7.96815e+01 56.562  2.51669e+00  3.81126e+00  0.00000e+00 0.00000e+00 6.65081e+01 56.562  1.31733e+01 236.562 0.8823 
1 1 1 17 11 20 o 4  3.12906e+01 9.74715e+00 7.32529e+01 66.934  7.42278e-01  1.74313e+00  0.00000e+00 0.00000e+00 1.79108e+01 246.934 9.11636e+01 246.934 0.6797 
1 1 1 17 11 21 o 15 5.51788e+01 1.13506e+01 1.20300e+02 183.133 -5.23224e+00 -2.86353e-01 0.00000e+00 0.00000e+00 8.50706e+00 183.133 1.11793e+02 3.133   0.8987 
1 1 1 17 11 22 o 9  5.90316e+01 1.09377e+01 8.73692e+01 195.553 -4.82520e+00 -1.34298e+00 0.00000e+00 0.00000e+00 4.93980e+01 195.553 3.79712e+01 15.553  0.8936 
1 1 1 17 11 23 o 1  1.41970e+02 5.49416e+00 1.11619e+02 208.309 -1.58185e+01 -8.52060e+00 0.00000e+00 0.00000e+00 2.45389e+02 208.309 1.33770e+02 208.309 0.9718 
1 1 1 17 11 24 o 14 6.61546e+01 1.01168e+01 8.60878e+01 340.408 5.43896e+00  -1.93583e+00 0.00000e+00 0.00000e+00 6.91552e+01 340.408 1.69326e+01 160.408 0.9087 
1 1 1 17 11 25 o 9  1.19452e+02 6.27240e+00 1.06496e+02 96.586  -1.53601e+00 1.33039e+01  0.00000e+00 0.00000e+00 1.89612e+02 96.586  8.31159e+01 96.586  0.9619 
1 1 1 17 11 26 o 3  3.44762e+01 1.04019e+01 5.98749e+01 316.631 1.67471e+00  -1.58200e+00 0.00000e+00 0.00000e+00 5.89179e+00 316.631 5.39831e+01 136.631 0.7419 
1 1 1 17 11 27 o 6  5.26556e+01 1.14333e+01 2.37922e+01 3.364   1.42816e+00  8.39358e-02  0.00000e+00 0.00000e+00 5.43577e+01 3.364   3.05655e+01 3.364   0.5785 
1 1 1 17 11 28 o 12 8.50293e+01 3.45033e+01 1.50669e+02 302.562 3.07543e+00  -4.81589e+00 0.00000e+00 0.00000e+00 4.68653e+01 302.562 1.03803e+02 122.562 0.9077 
1 1 1 17 11 30 o 8  1.00757e+02 7.68671e+00 9.90389e+01 219.154 -1.09605e+01 -8.92455e+00 0.00000e+00 0.00000e+00 1.48304e+02 219.154 4.92650e+01 219.154 0.9639 
1 1 1 17 11 31 o 1  3.92803e+01 1.08413e+01 5.83832e+01 88.456  8.03847e-02  2.98317e+00  0.00000e+00 0.00000e+00 2.23126e+01 88.456  3.60706e+01 268.456 0.8088 
1 1 1 17 11 32 o 1  1.04634e+02 7.47457e+00 1.37809e+02 143.878 -1.60359e+01 1.17031e+01  0.00000e+00 0.00000e+00 1.20470e+02 143.878 1.73387e+01 323.878 0.9745 
1 1 1 17 11 33 o 17 2.17233e+02 4.98297e+00 2.30688e+02 82.973  9.43363e+00  7.65344e+01  0.00000e+00 0.00000e+00 3.14468e+02 82.973  8.37801e+01 82.973  0.9935 
1 1 1 17 11 34 o 4  8.17595e+01 8.91630e+00 1.03210e+02 265.053 -1.04289e+00 -1.20487e+01 0.00000e+00 0.00000e+00 9.40101e+01 265.053 9.19941e+00 85.053  0.9577 
1 1 1 17 11 35 o 17 7.73136e+01 9.52836e+00 6.50914e+01 61.688  3.72201e+00  6.90909e+00  0.00000e+00 0.00000e+00 1.16230e+02 61.688  5.11388e+01 61.688  0.9339 
1 1 1 17 11 36 f 0  7.03481e+01 1.05855e+01 1.06138e+02 153.954 -1.00384e+01 4.90602e+00  0.00000e+00 0.00000e+00 6.19033e+01 153.954 4.42349e+01 333.954 0.9541 
1 1 1 17 11 37 o 13 3.24387e+01 1.03713e+01 5.24752e+01 126.300 -1.48158e+00 2.01696e+00  0.00000e+00 0.00000e+00 9.47873e+00 126.300 4.29965e+01 306.300 0.7653 
1 1 1 17 11 38 o 16 1.15760e+02 6.56150e+00 1.11560e+02 4.229   2.45348e+01  1.81442e+00  0.00000e+00 0.00000e+00 1.70490e+02 4.229   5.89300e+01 4.229   0.9795 
1 1 1 17 11 39 o 7  1.09134e+02 6.80222e+00 1.14713e+02 255.663 -5.74926e+00 -2.24946e+01 0.00000e+00 0.00000e+00 1.49975e+02 255.663 3.52628e+01 255.663 0.9782 
1 1 1 17 11 40 o 1  4.65851e+01 1.16231e+01 7.46523e+01 163.692 -5.12313e+00 1.49892e+00  0.00000e+00 0.00000e+00 2.90214e+01 163.692 4.56309e+01 343.692 0.9007 
1 1 1 17 11 41 o 3  7.44893e+01 1.07848e+01 1.14076e+02 317.503 1.15512e+01  -1.05838e+01 0.00000e+00 0.00000e+00 6.33836e+01 317.503 5.06928e+01 137.503 0.9675 
1 1 1 17 11 42 o 19 4.43725e+01 1.08311e+01 2.06538e+01 98.605  -2.61216e-01 1.72619e+00  0.00000e+00 0.00000e+00 5.02516e+01 98.605  2.95978e+01 98.605  0.6513 
1 1 1 17 11 43 o 2  5.95280e+01 1.05454e+01 1.03435e+02 2.021   1.25762e+01  4.43841e-01  0.00000e+00 0.00000e+00 3.61740e+01 2.021   6.72613e+01 182.021 0.9594 
1 1 1 17 11 44 o 15 3.19812e+01 1.03077e+01 1.48508e+01 84.935  8.59136e-02  9.69310e-01  0.00000e+00 0.00000e+00 1.91680e+01 84.935  4.31724e+00 84.935  0.4368 
1 1 1 17 11 45 o 12 4.33652e+01 1.15220e+01 6.21608e+01 117.045 -2.61225e+00 5.11681e+00  0.00000e+00 0.00000e+00 3.33867e+01 117.045 2.87741e+01 297.045 0.9082 
1 1 1 17 11 46 f 0  4.27642e+01 1.16635e+01 6.72682e+01 245.240 -2.48935e+00 -5.39733e+00 0.00000e+00 0.00000e+00 2.69237e+01 245.240 4.03445e+01 65.240  0.9115 
1 1 1 17 12 0  o 17 1.36577e+02 7.89991e+00 1.16215e+02 180.000 -6.16116e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.46548e+02 180.000 1.30333e+02 180.000 1.0000 
1 1 1 17 12 1  o 4  1.17745e+02 6.21679e+00 6.89020e+01 345.319 6.04454e+00  -1.58362e+00 0.00000e+00 0.00000e+00 2.17579e+02 345.319 1.48677e+02 345.319 0.9161 
1 1 1 17 12 2  o 19 1.34172e+02 6.02168e+00 1.33083e+02 126.081 -8.11209e+00 1.11320e+01  0.00000e+00 0.00000e+00 2.10047e+02 126.081 7.69640e+01 126.081 0.9630 
1 1 1 17 12 3  o 1  1.69092e+02 4.74775e+00 1.89238e+02 276.127 2.66806e+00  -2.48555e+01 0.00000e+00 0.00000e+00 2.50646e+02 276.127 6.14077e+01 276.127 0.9798 
1 1 1 17 12 4  o 17 1.76118e+02 5.02070e+00 1.96635e+02 39.080  2.08999e+01  1.69731e+01  0.00000e+00 0.00000e+00 2.62069e+02 39.080  6.54341e+01 39.080  0.9812 
1 1 1 17 12 5  o 6  1.04741e+02 7.54788e+00 1.58376e+02 226.902 -8.50997e+00 -9.09466e+00 0.00000e+00 0.00000e+00 1.08131e+02 226.902 5.02448e+01 46.902  0.9590 
1 1 1 17 12 6  o 17 1.52422e+02 5.29536e+00 2.42166e+02 45.923  1.97861e+01  2.04340e+01  0.00000e+00 0.00000e+00 1.54889e+02 45.923  8.72767e+01 225.923 0.9823 
1 1 1 17 12 7  o 7  3.02764e+02 4.40688e+00 3.29860e+02 56.380  4.73632e+01  7.12328e+01  0.00000e+00 0.00000e+00 4.67921e+02 56.380  1.38061e+02 56.380  0.9941 
1 1 1 17 12 8  o 2  1.04630e+02 8.00618e+00 1.23778e+02 201.660 -9.77004e+00 -3.88009e+00 0.00000e+00 0.00000e+00 1.39837e+02 201.660 1.60594e+01 201.660 0.9512 
1 1 1 17 12 9  o 11 1.08417e+02 7.30963e+00 8.62868e+01 100.224 -1.35673e+00 7.52256e+00  0.00000e+00 0.00000e+00 1.81191e+02 100.224 9.49040e+01 100.224 0.9321 
1 1 1 17 12 10 o 6  1.87859e+02 4.87374e+00 2.71159e+02 252.332 -1.29775e+01 -4.07422e+01 0.00000e+00 0.00000e+00 2.19827e+02 252.332 5.13324e+01 72.332  0.9882 
1 1 1 17 12 11 o 1  6.28586e+01 1.11710e+01 6.88558e+01 190.839 -3.11917e+00 -5.97231e-01 0.00000e+00 0.00000e+00 6.77028e+01 190.839 1.15302e+00 10.839  0.8222 
1 1 1 17 12 12 o 15 1.75548e+02 4.99276e+00 1.40687e+02 178.607 -1.99217e+01 4.84496e-01  0.00000e+00 0.00000e+00 3.10924e+02 178.607 1.70237e+02 178.607 0.9746 
1 1 1 17 12 13 o 14 1.21660e+02 6.41307e+00 1.07359e+02 152.206 -9.09864e+00 4.79595e+00  0.00000e+00 0.00000e+00 1.97422e+02 152.206 9.00633e+01 152.206 0.9501 
1 1 1 17 12 14 o 7  1.56198e+02 5.61100e+00 1.77083e+02 204.473 -2.53627e+01 -1.15441e+01 0.00000e+00 0.00000e+00 2.26857e+02 204.473 4.97737e+01 204.473 0.9819 
1 1 1 17 12 15 o 8  2.22161e+02 4.58624e+00 2.04479e+02 2.093   4.60053e+01  1.68144e+00  0.00000e+00 0.00000e+00 3.73528e+02 2.093   1.69049e+02 2.093   0.9891 
1 1 1 17 12 16 o 15 1.65865e+02 5.03055e+00 2.12401e+02 294.848 1.33218e+01  -2.87673e+01 0.00000e+00 0.00000e+00 2.16391e+02 294.848 3.99051e+00 294.848 0.9841 
1 1 1 17 12 17 o 14 2.34026e+02 4.31309e+00 2.64348e+02 42.023  4.12919e+01  3.72094e+01  0.00000e+00 0.00000e+00 3.44010e+02 42.023  7.96622e+01 42.023  0.9910 
1 1 1 17 12 18 o 17 7.38396e+01 9.41267e+00 5.02934e+01 55.715  2.13442e+00  3.13074e+00  0.00000e+00 0.00000e+00 1.15048e+02 55.715  6.47546e+01 55.715  0.8549 
1 1 1 17 12 19 o 7  6.78303e+01 1.09776e+01 9.30119e+01 232.021 -3.76678e+00 -4.82497e+00 0.00000e+00 0.00000e+00 6.91518e+01 232.021 2.38601e+01 52.021  0.9142 
1 1 1 17 12 20 o 16 4.09442e+01 1.15538e+01 1.96945e+01 16.208  7.63368e-01  2.21897e-01  0.00000e+00 0.00000e+00 1.97560e+01 16.208  6.15429e-02 16.208  0.3691 
1 1 1 17 12 21 o 10 6.53370e+01 1.06372e+01 8.77658e+01 290.503 2.01372e+00  -5.38499e+00 0.00000e+00 0.00000e+00 6.68899e+01 290.503 2.08759e+01 110.503 0.9083 
1 1 1 17 12 22 o 1  1.24546e+02 6.39339e+00 1.65315e+02 318.672 1.63394e+01  -1.43687e+01 0.00000e+00 0.00000e+00 1.51128e+02 318.672 1.41865e+01 138.672 0.9767 
1 1 1 17 12 23 o 3  1.06463e+02 6.85455e+00 1.17013e+02 257.455 -3.33462e+00 -1.49855e+01 0.00000e+00 0.00000e+00 1.50228e+02 257.455 3.32150e+01 257.455 0.9669 
1 1 1 17 12 24 o 13 5.01657e+01 1.12343e+01 4.82790e+01 19.866  2.46631e+00  8.91145e-01  0.00000e+00 0.00000e+00 5.28012e+01 19.866  4.52215e+00 19.866  0.7777 
1 1 1 17 12 25 o 11 3.53755e+01 1.10139e+01 2.17881e+01 161.927 -8.45175e-01 2.75812e-01  0.00000e+00 0.00000e+00 1.53180e+01 161.927 6.47008e+00 341.927 0.4057 
1 1 1 17 12 27 o 19 7.33455e+01 9.34766e+00 1.59441e+02 46.173  1.10349e+01  1.14962e+01  0.00000e+00 0.00000e+00 2.33203e+01 46.173  1.36121e+02 226.173 0.9681 
1 1 1 17 12 28 o 5  1.84996e+02 4.82091e+00 2.27454e+02 114.154 -2.69468e+01 6.00870e+01  0.00000e+00 0.00000e+00 2.43958e+02 114.154 1.65039e+01 114.154 0.9924 
1 1 1 17 12 29 o 1  6.12880e+01 1.07667e+01 4.60880e+01 123.714 -2.04496e+00 3.06472e+00  0.00000e+00 0.00000e+00 8.73818e+01 123.714 4.12938e+01 123.714 0.8502 
1 1 1 17 12 30 o 4  8.71172e+01 9.98504e+00 7.02538e+01 316.076 5.64292e+00  -5.43488e+00 0.00000e+00 0.00000e+00 1.37597e+02 316.076 6.73434e+01 316.076 0.9338 
1 1 1 17 12 31 o 2  1.16653e+02 6.96957e+00 1.45061e+02 190.893 -2.45066e+01 -4.71612e+00 0.00000e+00 0.00000e+00 1.46186e+02 190.893 1.12508e+00 190.893 0.9798 
1 1 1 17 12 32 o 7  4.97053e+01 1.07766e+01 4.39091e+01 323.566 2.36539e+00  -1.74608e+00 0.00000e+00 0.00000e+00 5.78349e+01 323.566 1.39258e+01 323.566 0.8055 
1 1 1 17 12 33 o 1  4.53650e+01 1.19025e+01 4.31349e+01 297.783 1.29627e+00  -2.46041e+00 0.00000e+00 0.00000e+00 4.79635e+01 297.783 4.82861e+00 297.783 0.7924 
1 1 1 17 12 34 o 9  3.36887e+01 1.02450e+01 2.94219e+01 87.604  6.30741e-02  1.50738e+00  0.00000e+00 0.00000e+00 2.15088e+01 87.604  7.91311e+00 267.604 0.5983 
1 1 1 17 12 35 o 1  6.83416e+01 1.03733e+01 9.53381e+01 355.067 9.58576e+00  -8.27429e-01 0.00000e+00 0.00000e+00 6.76336e+01 355.067 2.77045e+01 175.067 0.9465 
1 1 1 17 12 36 o 15 5.74106e+01 1.11034e+01 5.78597e+01 31.389  4.55879e+00  2.78148e+00  0.00000e+00 0.00000e+00 7.20234e+01 31.389  1.41637e+01 31.389  0.9007 
1 1 1 17 12 37 o 11 3.06918e+01 9.74640e+00 4.94097e+01 329.323 2.18827e+00  -1.29812e+00 0.00000e+00 0.00000e+00 9.74201e+00 329.323 3.96676e+01 149.323 0.7697 
1 1 1 17 12 38 o 10 4.34646e+01 1.20023e+01 8.63438e+01 341.287 5.39272e+00  -1.82672e+00 0.00000e+00 0.00000e+00 1.20786e+01 341.287 7.42652e+01 161.287 0.9073 
1 1 1 17 12 39 o 16 9.97136e+01 7.53220e+00 9.54118e+01 128.441 -1.27179e+01 1.60222e+01  0.00000e+00 0.00000e+00 1.46481e+02 128.441 5.10691e+01 128.441 0.9752 
1 1 1 17 12 40 o 11 3.54626e+01 1.04750e+01 5.63011e+00 259.481 -7.11585e-02 -3.83223e-01 0.00000e+00 0.00000e+00 1.11854e+01 259.481 5.55525e+00 259.481 0.1913 
1 1 1 17 12 41 o 12 7.42060e+01 1.05579e+01 9.39899e+01 272.674 6.69090e-01  -1.43262e+01 0.00000e+00 0.00000e+00 8.28136e+01 272.674 1.11763e+01 92.674  0.9645 
1 1 1 17 12 42 o 5  4.66991e+01 1.10784e+01 1.09065e+02 224.711 -7.17275e+00 -7.10072e+00 0.00000e+00 0.00000e+00 3.30182e-02 224.711 1.09032e+02 44.711  0.9491 
1 1 1 17 12 43 o 18 9.21971e+01 1.01817e+01 1.06452e+02 272.705 1.03421e+00  -2.18920e+01 0.00000e+00 0.00000e+00 1.14442e+02 272.705 7.99095e+00 272.705 0.9769 
1 1 1 17 12 44 o 19 4.70855e+01 1.19515e+01 3.76386e+01 300.501 1.83927e+00  -3.12235e+00 0.00000e+00 0.00000e+00 5.98412e+01 300.501 2.22026e+01 300.501 0.8473 
1 1 1 17 12 45 o 11 4.60593e+01 1.18897e+01 5.47492e+01 54.570  3.26150e+00  4.58432e+00  0.00000e+00 0.00000e+00 4.68336e+01 54.570  7.91561e+00 234.570 0.9061 
1 1 1 17 13 0  o 6  1.49009e+02 7.31795e+00 1.01907e+02 0.000   6.13822e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.95287e+02 0.000   1.93380e+02 0.000   1.0000 
1 1 1 17 13 1  o 1  1.04103e+02 6.84230e+00 1.41207e+02 11.542  1.13946e+01  2.32701e+00  0.00000e+00 0.00000e+00 1.24064e+02 11.542  1.71433e+01 191.542 0.9560 
1 1 1 17 13 2  o 17 1.37524e+02 5.51527e+00 1.70443e+02 261.633 -2.74335e+00 -1.86532e+01 0.00000e+00 0.00000e+00 1.86220e+02 261.633 1.57775e+01 261.633 0.9731 
1 1 1 17 13 3  o 1  9.65682e+01 7.13237e+00 8.03704e+01 2.625   7.73143e+00  3.54494e-01  0.00000e+00 0.00000e+00 1.59692e+02 2.625   7.93214e+01 2.625   0.9330 
1 1 1 17 13 4  o 7  2.01216e+02 4.63394e+00 2.12506e+02 203.894 -4.04911e+01 -1.79383e+01 0.00000e+00 0.00000e+00 3.17398e+02 203.894 1.04891e+02 203.894 0.9886 
1 1 1 17 13 5  o 8  1.22342e+02 5.82991e+00 1.52504e+02 270.386 1.27765e-01  -1.89488e+01 0.00000e+00 0.00000e+00 1.64542e+02 270.386 1.20378e+01 270.386 0.9732 
1 1 1 17 13 6  o 4  1.82879e+02 4.48569e+00 2.37862e+02 3.841   4.47852e+01  3.00713e+00  0.00000e+00 0.00000e+00 2.43411e+02 3.841   5.54885e+00 3.841   0.9888 
1 1 1 17 13 7  o 4  6.29240e+01 1.03586e+01 8.54818e+01 117.027 -2.24530e+00 4.40151e+00  0.00000e+00 0.00000e+00 6.38173e+01 117.027 2.16645e+01 297.027 0.8920 
1 1 1 17 13 8  o 6  1.10599e+02 6.23855e+00 1.52832e+02 114.600 -7.02446e+00 1.53429e+01  0.00000e+00 0.00000e+00 1.32319e+02 114.600 2.05138e+01 294.600 0.9699 
1 1 1 17 13 9  o 16 6.55679e+01 9.87756e+00 6.66292e+01 61.382  1.75404e+00  3.21470e+00  0.00000e+00 0.00000e+00 8.12640e+01 61.382  1.46348e+01 61.382  0.8491 
1 1 1 17 13 10 o 2  1.29079e+02 5.49621e+00 1.39726e+02 121.254 -8.43435e+00 1.38969e+01  0.00000e+00 0.00000e+00 1.92156e+02 121.254 5.24303e+01 121.254 0.9687 
1 1 1 17 13 11 o 19 1.43612e+02 5.47585e+00 1.52162e+02 74.594  5.20277e+00  1.88811e+01  0.00000e+00 0.00000e+00 2.18804e+02 74.594  6.66422e+01 74.594  0.9741 
1 1 1 17 13 12 f 0  7.20996e+01 9.57318e+00 1.44668e+02 291.481 3.92710e+00  -9.97937e+00 0.00000e+00 0.00000e+00 3.71942e+01 291.481 1.07474e+02 111.481 0.9522 
1 1 1 17 13 13 o 10 3.81683e+01 1.10214e+01 3.29160e+01 131.167 -8.12399e-01 9.29065e-01  0.00000e+00 0.00000e+00 1.99319e+01 131.167 1.29842e+01 311.167 0.5232 
1 1 1 17 13 14 o 14 1.33297e+02 6.11686e+00 1.24935e+02 238.102 -9.63580e+00 -1.54815e+01 0.00000e+00 0.00000e+00 2.17587e+02 238.102 9.26521e+01 238.102 0.9722 
1 1 1 17 13 15 o 14 9.25233e+01 8.15014e+00 8.96606e+01 223.255 -6.59277e+00 -6.20284e+00 0.00000e+00 0.00000e+00 1.40672e+02 223.255 5.10118e+01 223.255 0.9430 
1 1 1 17 13 16 o 2  1.03660e+02 6.99090e+00 1.57920e+02 257.988 -3.78291e+00 -1.77794e+01 0.00000e+00 0.00000e+00 1.07733e+02 257.988 5.01872e+01 77.988  0.9721 
1 1 1 17 13 17 o 8  6.60439e+01 1.04631e+01 3.82432e+01 79.107  4.67855e-01  2.43119e+00  0.00000e+00 0.00000e+00 9.43007e+01 79.107  5.60576e+01 79.107  0.7623 
1 1 1 17 13 18 o 7  9.96575e+01 7.40832e+00 1.87250e+02 266.178 -1.29977e+00 -1.94568e+01 0.00000e+00 0.00000e+00 6.79018e+01 266.178 1.19348e+02 86.178  0.9740 
1 1 1 17 13 19 o 4  9.82152e+01 7.78290e+00 1.14869e+02 251.707 -4.31144e+00 -1.30417e+01 0.00000e+00 0.00000e+00 1.33320e+02 251.707 1.84512e+01 251.707 0.9629 
1 1 1 17 13 20 o 11 1.48554e+02 5.52225e+00 1.72481e+02 29.811  2.81532e+01  1.61305e+01  0.00000e+00 0.00000e+00 2.10685e+02 29.811  3.82045e+01 29.811  0.9845 
1 1 1 17 13 21 o 2  3.08851e+01 9.90236e+00 7.10836e+01 321.203 2.06843e+00  -1.66290e+00 0.00000e+00 0.00000e+00 8.01733e+00 141.203 7.91009e+01 141.203 0.7808 
1 1 1 17 13 23 o 14 1.51839e+02 1.94984e+01 1.85126e+02 349.854 1.97542e+01  -3.53506e+00 0.00000e+00 0.00000e+00 2.00496e+02 349.854 1.53701e+01 349.854 0.9748 
1 1 1 17 13 24 o 1  5.27054e+01 1.08741e+01 4.93067e+01 206.955 -3.00648e+00 -1.52891e+00 0.00000e+00 0.00000e+00 6.50120e+01 206.955 1.57054e+01 206.955 0.8342 
1 1 1 17 13 25 f 0  6.51384e+01 1.08217e+01 8.24336e+01 227.492 -4.80232e+00 -5.23933e+00 0.00000e+00 0.00000e+00 7.41934e+01 227.492 8.24028e+00 47.492  0.9267 
1 1 1 17 13 26 f 0  1.36049e+02 6.61286e+00 1.34649e+02 223.291 -1.99547e+01 -1.87982e+01 0.00000e+00 0.00000e+00 2.11094e+02 223.291 7.64456e+01 223.291 0.9816 
1 1 1 17 13 27 o 3  4.84041e+01 1.26408e+01 5.23182e+01 267.822 -1.12928e-01 -2.96938e+00 0.00000e+00 0.00000e+00 4.86895e+01 267.822 3.62873e+00 87.822  0.8079 
1 1 1 17 13 28 o 6  6.51971e+01 1.24605e+01 8.95437e+01 120.847 -3.70567e+00 6.20479e+00  0.00000e+00 0.00000e+00 6.63670e+01 120.847 2.31767e+01 300.847 0.9280 
1 1 1 17 13 29 o 12 3.59556e+01 1.13538e+01 2.55305e+01 265.846 -8.84951e-02 -1.21844e+00 0.00000e+00 0.00000e+00 2.24803e+01 265.846 3.05017e+00 85.846  0.5194 
1 1 1 17 13 30 o 3  9.21685e+01 8.86483e+00 1.11952e+02 93.613  -1.05532e+00 1.67114e+01  0.00000e+00 0.00000e+00 1.17207e+02 93.613  5.25534e+00 93.613  0.9697 
1 1 1 17 13 31 o 19 3.61023e+01 1.05530e+01 1.31996e+01 222.940 -5.30744e-01 -4.93881e-01 0.00000e+00 0.00000e+00 1.82459e+01 222.940 5.04628e+00 222.940 0.3406 
1 1 1 17 13 32 o 4  9.28534e+01 7.91276e+00 1.28308e+02 333.599 1.74668e+01  -8.67093e+00 0.00000e+00 0.00000e+00 1.02352e+02 333.599 2.59556e+01 153.599 0.9740 
1 1 1 17 13 33 o 4  6.24634e+01 1.15456e+01 5.30588e+01 345.903 5.12628e+00  -1.28734e+00 0.00000e+00 0.00000e+00 8.98538e+01 345.903 3.67949e+01 345.903 0.8996 
1 1 1 17 13 34 o 4  5.54722e+01 1.10913e+01 7.76524e+01 178.349 -6.91608e+00 1.99285e-01  0.00000e+00 0.00000e+00 5.24165e+01 178.349 2.52360e+01 358.349 0.9246 
1 1 1 17 13 35 o 4  7.96478e+01 9.16308e+00 5.73211e+01 326.563 6.63384e+00  -4.38029e+00 0.00000e+00 0.00000e+00 1.30931e+02 326.563 7.36100e+01 326.563 0.9348 
1 1 1 17 13 36 o 19 1.33934e+02 6.27775e+00 1.77390e+02 213.466 -4.16582e+01 -2.75379e+01 0.00000e+00 0.00000e+00 1.56816e+02 213.466 2.05735e+01 33.466  0.9899 
1 1 1 17 13 37 o 14 3.31261e+01 1.05024e+01 4.95146e+01 351.014 3.05631e+00  -4.83320e-01 0.00000e+00 0.00000e+00 1.84670e+01 351.014 3.10476e+01 171.014 0.8167 
1 1 1 17 13 38 o 11 4.03306e+01 1.14972e+01 6.49629e+01 72.148  1.49144e+00  4.63080e+00  0.00000e+00 0.00000e+00 2.49542e+01 72.148  4.00087e+01 252.148 0.8902 
1 1 1 17 13 39 o 2  8.43528e+01 1.01066e+01 1.12358e+02 139.918 -1.53378e+01 1.29072e+01  0.00000e+00 0.00000e+00 9.28914e+01 139.918 1.94670e+01 319.918 0.9747 
1 1 1 17 13 40 o 9  5.00605e+01 1.30904e+01 4.03887e+01 41.239  2.70030e+00  2.36716e+00  0.00000e+00 0.00000e+00 6.49382e+01 41.239  2.45496e+01 41.239  0.8457 
1 1 1 17 13 41 o 7  4.52406e+01 1.16797e+01 6.30270e+01 227.943 -3.92884e+00 -4.35467e+00 0.00000e+00 0.00000e+00 3.90603e+01 227.943 2.39667e+01 47.943  0.9102 
1 1 1 17 13 42 o 12 3.49697e+01 1.07408e+01 5.14811e+01 65.641  1.63832e+00  3.61858e+00  0.00000e+00 0.00000e+00 2.30211e+01 65.641  2.84600e+01 245.641 0.8624 
1 1 1 17 13 43 o 7  5.71591e+01 1.17574e+01 5.46269e+01 280.823 1.32442e+00  -6.92760e+00 0.00000e+00 0.00000e+00 7.56618e+01 280.823 2.10349e+01 280.823 0.9261 
1 1 1 17 14 0  o 4  8.61981e+01 1.14300e+01 8.05285e+01 180.000 -3.70412e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.49845e+02 180.000 6.93162e+01 180.000 0.9988 
1 1 1 17 14 1  o 19 4.69988e+01 1.18027e+01 8.18775e+01 185.798 -3.69472e+00 -3.75197e-01 0.00000e+00 0.00000e+00 2.52081e+01 185.798 5.66694e+01 5.798   0.8515 
1 1 1 17 14 2  o 4  4.82140e+01 1.07831e+01 8.18231e+01 158.866 -3.65742e+00 1.41377e+00  0.00000e+00 0.00000e+00 2.91634e+01 158.866 5.26597e+01 338.866 0.8604 
1 1 1 17 14 3  f 0  6.15437e+01 1.09819e+01 4.61698e+01 24.281  2.55677e+00  1.15340e+00  0.00000e+00 0.00000e+00 8.46120e+01 24.281  3.84421e+01 24.281  0.7945 
1 1 1 17 14 4  o 16 6.60887e+01 1.05981e+01 1.18127e+02 68.763  2.81774e+00  7.25063e+00  0.00000e+00 0.00000e+00 4.68095e+01 68.763  7.13177e+01 248.763 0.9333 
1 1 1 17 14 5  o 9  4.70290e+01 1.08266e+01 4.56095e+01 67.830  7.99640e-01  1.96236e+00  0.00000e+00 0.00000e+00 4.44447e+01 67.830  1.16485e+00 247.830 0.7164 
1 1 1 17 14 6  o 16 7.73428e+01 9.27086e+00 7.40446e+01 222.442 -4.53693e+00 -4.14888e+00 0.00000e+00 0.00000e+00 1.14945e+02 222.442 4.09001e+01 222.442 0.9146 
1 1 1 17 14 7  o 15 4.61797e+01 1.13426e+01 5.52727e+01 248.858 -9.28536e-01 -2.40106e+00 0.00000e+00 0.00000e+00 4.00264e+01 248.858 1.52464e+01 68.858  0.7728 
1 1 1 17 14 8  o 2  5.52470e+01 1.05151e+01 8.02350e+01 185.201 -4.54734e+00 -4.13911e-01 0.00000e+00 0.00000e+00 4.98297e+01 185.201 3.04053e+01 5.201   0.8822 
1 1 1 17 14 9  o 2  1.73975e+02 4.54086e+00 2.46849e+02 52.002  3.09315e+01  3.95930e+01  0.00000e+00 0.00000e+00 2.12418e+02 52.002  3.44317e+01 232.002 0.9900 
1 1 1 17 14 10 o 16 1.65835e+02 4.79499e+00 2.19041e+02 58.969  2.09470e+01  3.48190e+01  0.00000e+00 0.00000e+00 2.17328e+02 58.969  1.71266e+00 238.969 0.9876 
1 1 1 17 14 11 o 18 7.94087e+01 8.16145e+00 1.21280e+02 207.672 -8.91094e+00 -4.67289e+00 0.00000e+00 0.00000e+00 7.93026e+01 207.672 4.19778e+01 27.672  0.9489 
1 1 1 17 14 12 o 2  4.26204e+01 1.08790e+01 1.08945e+01 115.058 -1.90643e-01 4.07757e-01  0.00000e+00 0.00000e+00 1.39888e+01 115.058 3.09430e+00 115.058 0.2195 
1 1 1 17 14 13 o 14 5.59036e+01 1.07157e+01 6.09165e+01 264.353 -3.79469e-01 -3.83758e+00 0.00000e+00 0.00000e+00 6.64632e+01 264.353 5.54666e+00 264.353 0.8578 
1 1 1 17 14 14 o 3  3.03396e+01 9.64826e+00 5.93698e+01 315.765 1.50162e+00  -1.46207e+00 0.00000e+00 0.00000e+00 1.98088e+00 135.765 6.13507e+01 135.765 0.7129 
1 1 1 17 14 15 f 0  7.70303e+01 8.66120e+00 9.99789e+01 109.497 -3.05584e+00 8.63088e+00  0.00000e+00 0.00000e+00 9.26588e+01 109.497 7.32011e+00 289.497 0.9437 
1 1 1 17 14 16 f 0  4.99044e+01 1.08968e+01 5.70817e+01 170.845 -3.32112e+00 5.35222e-01  0.00000e+00 0.00000e+00 5.30210e+01 170.845 4.06069e+00 350.845 0.8337 
1 1 1 17 14 17 o 10 6.49337e+01 2.92195e+01 6.96919e+01 139.853 -1.89651e+00 1.59965e+00  0.00000e+00 0.00000e+00 6.12251e+01 139.853 8.46681e+00 319.853 0.7629 
1 1 1 17 14 19 o 16 6.80482e+01 1.14476e+01 8.91362e+01 113.559 -2.26552e+00 5.19562e+00  0.00000e+00 0.00000e+00 7.34414e+01 113.559 1.56947e+01 293.559 0.9069 
1 1 1 17 14 20 f 0  4.50438e+01 1.25324e+01 1.14599e+02 306.346 3.74668e+00  -5.09189e+00 0.00000e+00 0.00000e+00 5.95332e+00 126.346 1.20552e+02 126.346 0.9171 
1 1 1 17 14 21 o 16 1.46581e+02 6.98382e+00 2.23070e+02 264.634 -4.63437e+00 -4.93430e+01 0.00000e+00 0.00000e+00 1.57863e+02 264.634 6.52069e+01 84.634  0.9899 
1 1 1 17 14 22 o 18 3.84401e+01 1.17577e+01 1.13428e+01 47.309  3.77308e-01  4.09016e-01  0.00000e+00 0.00000e+00 1.56532e+01 47.309  4.31035e+00 47.309  0.2680 
1 1 1 17 14 23 o 3  5.46406e+01 1.27554e+01 6.20236e+01 162.688 -3.81722e+00 1.18977e+00  0.00000e+00 0.00000e+00 6.13741e+01 162.688 6.49502e-01 342.688 0.8635 
1 1 1 17 14 24 o 2  7.13064e+01 1.12419e+01 1.07530e+02 210.226 -8.70460e+00 -5.07145e+00 0.00000e+00 0.00000e+00 6.90979e+01 210.226 3.84326e+01 30.226  0.9490 
1 1 1 17 14 25 o 14 4.36584e+01 1.16189e+01 3.81118e+01 154.696 -1.92977e+00 9.12357e-01  0.00000e+00 0.00000e+00 4.36133e+01 154.696 5.50150e+00 154.696 0.7187 
1 1 1 17 14 26 o 18 5.13775e+01 1.21467e+01 1.71894e+01 326.577 9.53962e-01  -6.29569e-01 0.00000e+00 0.00000e+00 4.88748e+01 326.577 3.16855e+01 326.577 0.4948 
1 1 1 17 14 27 o 4  3.61045e+01 1.09968e+01 3.97377e+01 42.867  1.57599e+00  1.46279e+00  0.00000e+00 0.00000e+00 2.77585e+01 42.867  1.19792e+01 222.867 0.7210 
1 1 1 17 14 28 o 11 8.27595e+01 9.37782e+00 7.58367e+01 155.682 -9.18211e+00 4.14933e+00  0.00000e+00 0.00000e+00 1.27332e+02 155.682 5.14955e+01 155.682 0.9490 
1 1 1 17 14 29 o 4  5.68134e+01 1.15437e+01 8.70832e+01 237.762 -3.79026e+00 -6.01009e+00 0.00000e+00 0.00000e+00 4.87769e+01 237.762 3.83063e+01 57.762  0.9267 
1 1 1 17 14 30 o 2  5.10369e+01 1.10953e+01 6.30526e+01 86.850  2.56104e-01  4.65317e+00  0.00000e+00 0.00000e+00 5.31880e+01 86.850  9.86454e+00 266.850 0.8849 
1 1 1 17 14 31 o 4  4.41498e+01 1.15114e+01 4.16058e+01 262.794 -3.66969e-01 -2.90242e+00 0.00000e+00 0.00000e+00 4.95569e+01 262.794 7.95111e+00 262.794 0.8043 
1 1 1 17 14 32 o 11 3.79541e+01 1.13030e+01 2.94135e+01 139.881 -1.35522e+00 1.14198e+00  0.00000e+00 0.00000e+00 3.43878e+01 139.881 4.97427e+00 139.881 0.6566 
1 1 1 17 14 33 f 0  5.59070e+01 1.21929e+01 4.70901e+01 345.182 3.87230e+00  -1.02439e+00 0.00000e+00 0.00000e+00 7.61936e+01 345.182 2.91035e+01 345.182 0.8637 
1 1 1 17 14 34 o 13 4.03935e+01 1.20222e+01 3.28251e+01 255.586 -5.42030e-01 -2.10898e+00 0.00000e+00 0.00000e+00 4.17129e+01 255.586 8.88775e+00 255.586 0.7249 
1 1 1 17 14 35 o 1  1.01223e+02 8.57748e+00 1.03733e+02 120.555 -1.10411e+01 1.87027e+01  0.00000e+00 0.00000e+00 1.47196e+02 120.555 4.34633e+01 120.555 0.9767 
1 1 1 17 14 36 o 6  7.64473e+01 1.15794e+01 1.30442e+02 38.083  1.45113e+01  1.13715e+01  0.00000e+00 0.00000e+00 5.76750e+01 38.083  7.27673e+01 218.083 0.9725 
1 1 1 17 14 37 o 5  6.19539e+01 1.15489e+01 9.15596e+01 73.445  3.15944e+00  1.06286e+01  0.00000e+00 0.00000e+00 5.74904e+01 73.445  3.40693e+01 253.445 0.9538 
1 1 1 17 14 38 o 3  4.38569e+01 1.09705e+01 3.62447e+01 102.684 -6.99610e-01 3.10854e+00  0.00000e+00 0.00000e+00 5.44907e+01 102.684 1.82460e+01 102.684 0.8229 
1 1 1 17 14 39 o 8  8.10731e+01 9.95827e+00 7.38908e+01 349.960 1.39751e+01  -2.47423e+00 0.00000e+00 0.00000e+00 1.21978e+02 349.960 4.80870e+01 349.960 0.9641 
1 1 1 17 14 40 o 11 4.54840e+01 1.23502e+01 3.70336e+01 158.131 -3.13542e+00 1.25847e+00  0.00000e+00 0.00000e+00 5.77583e+01 158.131 2.07247e+01 158.131 0.8345 
1 1 1 17 14 41 f 0  3.38669e+01 1.07668e+01 2.79464e+01 63.158  1.03153e+00  2.03836e+00  0.00000e+00 0.00000e+00 3.43713e+01 63.158  6.42493e+00 63.158  0.7394 
1 1 1 17 15 0  o 6  1.80642e+02 6.50448e+00 2.53989e+02 0.000   3.04103e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.31377e+02 0.000   2.26121e+01 180.000 1.0000 
1 1 1 17 15 1  o 2  6.33888e+01 1.10930e+01 6.86406e+01 263.018 -5.93277e-01 -4.84465e+00 0.00000e+00 0.00000e+00 8.30299e+01 263.018 1.43892e+01 263.018 0.8905 
1 1 1 17 15 2  o 9  6.09125e+01 1.15708e+01 1.13111e+02 126.930 -4.56630e+00 6.07521e+00  0.00000e+00 0.00000e+00 3.93461e+01 126.930 7.37651e+01 306.929 0.9317 
1 1 1 17 15 3  f 0  1.28181e+02 5.75021e+00 1.31901e+02 359.854 2.18969e+01  -5.58284e-02 0.00000e+00 0.00000e+00 2.04419e+02 359.854 7.25184e+01 359.854 0.9769 
1 1 1 17 15 4  o 12 8.82862e+01 8.25737e+00 1.04710e+02 183.899 -1.12388e+01 -7.66032e-01 0.00000e+00 0.00000e+00 1.21563e+02 183.899 1.68539e+01 183.899 0.9545 
1 1 1 17 15 5  o 7  1.36148e+02 5.65144e+00 2.15349e+02 284.302 9.36054e+00  -3.67186e+01 0.00000e+00 0.00000e+00 1.45219e+02 284.302 7.01294e+01 104.302 0.9867 
1 1 1 17 15 6  o 11 3.19423e+01 9.69498e+00 4.35667e+01 150.163 -1.40508e+00 8.05911e-01  0.00000e+00 0.00000e+00 9.93827e+00 150.163 3.36285e+01 330.163 0.6244 
1 1 1 17 15 7  o 10 4.30757e+01 1.08616e+01 2.13206e+01 146.122 -9.11557e-01 6.12038e-01  0.00000e+00 0.00000e+00 3.41204e+01 146.122 1.27998e+01 146.122 0.4800 
1 1 1 17 15 8  o 14 8.88025e+01 8.08562e+00 1.27361e+02 107.921 -4.52778e+00 1.40003e+01  0.00000e+00 0.00000e+00 1.02352e+02 107.921 2.50092e+01 287.921 0.9654 
1 1 1 17 15 9  f 0  7.83147e+01 9.07667e+00 9.33208e+01 112.277 -3.48725e+00 8.51251e+00  0.00000e+00 0.00000e+00 1.04621e+02 112.277 1.13000e+01 112.277 0.9440 
1 1 1 17 15 13 o 1  5.81446e+01 1.03450e+01 1.16771e+02 195.676 -6.35285e+00 -1.78281e+00 0.00000e+00 0.00000e+00 2.60323e+01 195.676 9.07385e+01 15.676  0.9208 
1 1 1 17 15 14 f 0  1.09164e+02 6.94703e+00 1.10114e+02 299.884 9.00959e+00  -1.56785e+01 0.00000e+00 0.00000e+00 1.72570e+02 299.884 6.24557e+01 299.884 0.9719 
1 1 1 17 15 15 o 11 1.70281e+02 5.37605e+00 2.35008e+02 338.760 5.79602e+01  -2.25280e+01 0.00000e+00 0.00000e+00 2.14442e+02 338.760 2.05657e+01 158.760 0.9919 
1 1 1 17 15 16 o 19 8.48039e+01 8.85817e+00 1.22319e+02 335.744 1.36350e+01  -6.14383e+00 0.00000e+00 0.00000e+00 9.53684e+01 335.744 2.69506e+01 155.744 0.9660 
1 1 1 17 15 17 o 13 1.39436e+02 6.12516e+00 1.58984e+02 24.361  3.13484e+01  1.41945e+01  0.00000e+00 0.00000e+00 2.05609e+02 24.361  4.66254e+01 24.361  0.9854 
1 1 1 17 15 18 o 7  5.23838e+01 1.16098e+01 6.34598e+01 144.492 -3.36846e+00 2.40343e+00  0.00000e+00 0.00000e+00 5.71024e+01 144.492 6.35741e+00 324.492 0.8686 
1 1 1 17 15 19 o 13 1.13791e+02 6.44176e+00 1.68472e+02 192.905 -2.72523e+01 -6.24404e+00 0.00000e+00 0.00000e+00 1.27115e+02 192.905 4.13569e+01 12.905  0.9820 
1 1 1 17 15 20 o 6  9.55560e+01 7.44745e+00 1.57348e+02 196.648 -2.16823e+01 -6.48372e+00 0.00000e+00 0.00000e+00 8.93698e+01 196.648 6.79777e+01 16.648  0.9777 
1 1 1 17 15 21 o 8  4.21601e+01 1.10271e+01 6.37795e+01 189.447 -3.50100e+00 -5.82564e-01 0.00000e+00 0.00000e+00 2.99861e+01 189.447 3.37935e+01 9.447   0.8436 
1 1 1 17 15 22 o 17 3.14770e+01 1.00770e+01 1.34676e+00 318.879 4.51512e-02  -3.94177e-02 0.00000e+00 0.00000e+00 1.13434e+00 318.879 2.12425e-01 138.879 0.0300 
1 1 1 17 15 23 o 1  7.04501e+01 1.00944e+01 9.15137e+01 186.676 -1.00544e+01 -1.17681e+00 0.00000e+00 0.00000e+00 8.41169e+01 186.676 7.39681e+00 6.676   0.9492 
1 1 1 17 15 24 o 8  3.78896e+01 1.10377e+01 3.15390e+01 251.259 -5.74237e-01 -1.69256e+00 0.00000e+00 0.00000e+00 3.39608e+01 251.259 2.42183e+00 251.259 0.6596 
1 1 1 17 15 25 o 14 5.36506e+01 1.16753e+01 5.82593e+01 194.766 -4.41109e+00 -1.16270e+00 0.00000e+00 0.00000e+00 6.55189e+01 194.766 7.25957e+00 194.766 0.8821 
1 1 1 17 15 26 o 16 4.87882e+01 1.20754e+01 9.72576e+01 323.254 5.34339e+00  -3.98956e+00 0.00000e+00 0.00000e+00 2.00861e+01 323.254 7.71714e+01 143.254 0.9216 
1 1 1 17 15 27 o 13 3.77111e+01 1.14698e+01 2.25740e+01 9.193   1.35761e+00  2.19717e-01  0.00000e+00 0.00000e+00 3.27806e+01 9.193   1.02066e+01 9.193   0.5638 
1 1 1 17 15 28 o 15 3.99721e+01 1.20469e+01 1.06458e+01 218.781 -5.15299e-01 -4.14023e-01 0.00000e+00 0.00000e+00 2.19236e+01 218.781 1.12778e+01 218.781 0.3137 
1 1 1 17 15 29 o 11 4.80935e+01 1.23144e+01 5.41673e+01 20.236  3.71465e+00  1.36939e+00  0.00000e+00 0.00000e+00 5.32448e+01 20.236  9.22491e-01 200.236 0.8619 
1 1 1 17 15 30 o 9  5.14933e+01 1.24688e+01 4.42900e+01 21.255  3.20640e+00  1.24723e+00  0.00000e+00 0.00000e+00 6.72293e+01 21.255  2.29394e+01 21.255  0.8379 
1 1 1 17 15 31 o 11 3.51899e+01 1.09459e+01 6.01664e+01 243.358 -1.65468e+00 -3.29824e+00 0.00000e+00 0.00000e+00 1.69795e+01 243.358 4.31869e+01 63.358  0.8504 
1 1 1 17 15 32 o 12 3.79964e+01 1.13915e+01 8.53686e+01 236.762 -3.22541e+00 -4.92191e+00 0.00000e+00 0.00000e+00 3.57260e+00 236.762 8.17960e+01 56.763  0.9105 
1 1 1 17 15 33 o 2  6.56466e+01 1.16113e+01 4.53185e+01 71.641  1.74111e+00  5.24648e+00  0.00000e+00 0.00000e+00 1.06874e+02 71.641  6.15553e+01 71.641  0.9043 
1 1 1 17 15 34 o 6  3.60593e+01 1.12009e+01 3.07623e+01 312.836 1.51499e+00  -1.63397e+00 0.00000e+00 0.00000e+00 3.67014e+01 312.836 5.93914e+00 312.836 0.7319 
1 1 1 17 15 35 o 7  4.18508e+01 1.15810e+01 2.82801e+01 14.282  2.23976e+00  5.70174e-01  0.00000e+00 0.00000e+00 5.09479e+01 14.282  2.26678e+01 14.282  0.7428 
1 1 1 17 15 36 o 12 7.31535e+01 1.12743e+01 5.71019e+01 56.357  4.92410e+00  7.39928e+00  0.00000e+00 0.00000e+00 1.17976e+02 56.357  6.08741e+01 56.357  0.9419 
1 1 1 17 15 37 o 15 3.62309e+01 1.10393e+01 4.76376e+01 278.021 5.33953e-01  -3.78927e+00 0.00000e+00 0.00000e+00 3.09614e+01 278.021 1.66761e+01 98.021  0.8565 
1 1 1 17 15 38 o 14 3.68978e+01 1.12780e+01 5.03097e+01 155.193 -3.60665e+00 1.66703e+00  0.00000e+00 0.00000e+00 3.00342e+01 155.193 2.02755e+01 335.193 0.8625 
1 1 1 17 16 0  o 17 9.46463e+01 1.07602e+01 1.29853e+02 180.000 -9.14451e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.25576e+02 180.000 4.27722e+00 0.000   1.0000 
1 1 1 17 16 1  o 3  7.34128e+01 1.00285e+01 8.79312e+01 308.379 5.49221e+00  -6.93458e+00 0.00000e+00 0.00000e+00 9.86258e+01 308.379 1.06946e+01 308.379 0.9417 
1 1 1 17 16 2  o 14 4.17583e+01 1.06557e+01 1.13231e+01 36.851  5.06039e-01  3.79264e-01  0.00000e+00 0.00000e+00 2.26347e+01 36.851  1.13116e+01 36.851  0.3014 
1 1 1 17 16 3  o 4  5.64180e+01 1.11541e+01 1.93972e+01 201.457 -1.33468e+00 -5.24587e-01 0.00000e+00 0.00000e+00 6.87887e+01 201.457 4.93914e+01 201.457 0.5794 
1 1 1 17 16 4  o 6  3.72288e+01 1.09237e+01 4.21642e+01 48.053  1.38555e+00  1.54166e+00  0.00000e+00 0.00000e+00 2.90587e+01 48.053  1.31055e+01 228.053 0.7094 
1 1 1 17 16 5  o 9  8.12347e+01 8.72023e+00 1.16884e+02 328.840 1.16023e+01  -7.01554e+00 0.00000e+00 0.00000e+00 9.38755e+01 328.840 2.30087e+01 148.840 0.9624 
1 1 1 17 16 6  o 4  9.35602e+01 7.91163e+00 9.91175e+01 353.807 1.34810e+01  -1.46290e+00 0.00000e+00 0.00000e+00 1.43506e+02 353.807 4.43888e+01 353.807 0.9624 
1 1 1 17 16 7  o 9  3.74281e+01 1.09553e+01 3.50578e+01 239.332 -9.00994e-01 -1.51939e+00 0.00000e+00 0.00000e+00 3.10084e+01 239.332 4.04947e+00 59.332  0.6554 
1 1 1 17 16 8  f 0  1.45479e+02 6.28236e+00 1.98437e+02 328.772 3.87782e+01  -2.35107e+01 0.00000e+00 0.00000e+00 1.88753e+02 328.772 9.68396e+00 148.772 0.9889 
1 1 1 17 16 9  o 10 1.15112e+02 7.17826e+00 1.39263e+02 214.659 -2.01212e+01 -1.39113e+01 0.00000e+00 0.00000e+00 1.63919e+02 214.659 2.46559e+01 214.659 0.9793 
1 1 1 17 16 10 o 5  1.76207e+02 5.58264e+00 1.88367e+02 149.648 -4.54054e+01 2.65882e+01  0.00000e+00 0.00000e+00 2.80608e+02 149.648 9.22414e+01 149.648 0.9905 
1 1 1 17 16 11 o 18 7.73559e+01 1.05928e+01 1.08035e+02 46.643  7.47644e+00  7.91797e+00  0.00000e+00 0.00000e+00 8.98660e+01 46.643  1.81686e+01 226.643 0.9529 
1 1 1 17 16 12 o 16 9.71470e+01 7.09362e+00 8.68711e+01 196.758 -1.17462e+01 -3.53703e+00 0.00000e+00 0.00000e+00 1.62826e+02 196.758 7.59548e+01 196.758 0.9583 
1 1 1 17 16 13 o 9  3.50008e+01 1.04429e+01 1.97857e+01 147.323 -7.56455e-01 4.85208e-01  0.00000e+00 0.00000e+00 1.85998e+01 147.323 1.18590e+00 327.323 0.4093 
1 1 1 17 16 14 o 4  7.46649e+01 9.32960e+00 1.10604e+02 342.182 1.12334e+01  -3.61052e+00 0.00000e+00 0.00000e+00 8.05393e+01 342.182 3.00643e+01 162.182 0.9566 
1 1 1 17 16 15 o 6  6.32503e+01 1.03055e+01 5.48728e+01 97.656  -6.33669e-01 4.71407e+00  0.00000e+00 0.00000e+00 9.51432e+01 97.656  4.02704e+01 97.656  0.8874 
1 1 1 17 16 16 o 1  4.73594e+01 1.12703e+01 1.05197e+02 241.516 -3.24489e+00 -5.98027e+00 0.00000e+00 0.00000e+00 1.15128e+01 241.516 9.36839e+01 61.516  0.9233 
1 1 1 17 16 17 f 0  7.77310e+01 8.73501e+00 6.21502e+01 337.290 6.65959e+00  -2.78712e+00 0.00000e+00 0.00000e+00 1.30092e+02 337.290 6.79416e+01 337.290 0.9279 
1 1 1 17 16 18 o 1  3.99139e+01 1.09080e+01 8.28255e+01 204.568 -4.59228e+00 -2.09938e+00 0.00000e+00 0.00000e+00 1.21930e+01 204.568 7.06324e+01 24.568  0.8945 
1 1 1 17 16 19 o 16 3.71179e+01 1.07714e+01 8.10530e+01 11.829  4.49507e+00  9.41444e-01  0.00000e+00 0.00000e+00 6.03164e+00 11.829  7.50214e+01 191.829 0.8830 
1 1 1 17 16 20 o 6  1.19465e+02 6.11113e+00 1.44081e+02 79.842  5.54762e+00  3.09612e+01  0.00000e+00 0.00000e+00 1.67732e+02 79.842  2.36507e+01 79.842  0.9840 
1 1 1 17 16 21 o 15 7.33471e+01 1.00432e+01 7.11667e+01 79.202  1.53674e+00  8.05756e+00  0.00000e+00 0.00000e+00 1.10795e+02 79.202  3.96286e+01 79.202  0.9369 
1 1 1 17 16 22 o 18 3.95898e+01 1.12599e+01 4.85789e+01 290.750 9.96820e-01  -2.63100e+00 0.00000e+00 0.00000e+00 3.46269e+01 290.750 1.39520e+01 110.750 0.7952 
1 1 1 17 16 23 f 0  5.45394e+01 1.11398e+01 5.68081e+01 224.715 -3.63323e+00 -3.59728e+00 0.00000e+00 0.00000e+00 7.20887e+01 224.715 1.52806e+01 224.715 0.8959 
1 1 1 17 16 24 o 19 2.81868e+01 9.42935e+00 2.38838e+01 219.959 -9.14305e-01 -7.66068e-01 0.00000e+00 0.00000e+00 1.40006e+01 219.959 9.88318e+00 39.959  0.5106 
1 1 1 17 16 25 o 18 3.30207e+01 1.03313e+01 1.36027e+01 121.282 -3.92376e-01 6.45806e-01  0.00000e+00 0.00000e+00 1.70355e+01 121.282 3.43275e+00 121.282 0.3532 
1 1 1 17 16 26 o 18 5.64430e+01 1.19713e+01 4.36453e+01 184.328 -3.82865e+00 -2.89747e-01 0.00000e+00 0.00000e+00 8.31554e+01 184.328 3.95101e+01 184.328 0.8571 
1 1 1 17 16 27 o 11 3.85644e+01 1.13709e+01 5.57228e+01 227.256 -2.51354e+00 -2.71970e+00 0.00000e+00 0.00000e+00 3.01102e+01 227.256 2.56125e+01 47.256  0.8511 
1 1 1 17 16 28 o 1  5.52128e+01 1.15109e+01 8.18086e+01 23.166  7.56299e+00  3.23626e+00  0.00000e+00 0.00000e+00 5.31803e+01 23.166  2.86283e+01 203.166 0.9371 
1 1 1 17 16 29 o 1  3.37401e+01 1.06650e+01 8.92453e+01 157.082 -5.24021e+00 2.21551e+00  0.00000e+00 0.00000e+00 9.57795e+00 337.082 9.88232e+01 337.082 0.9072 
1 1 1 17 16 30 o 14 4.04969e+01 1.12566e+01 5.49312e+01 244.606 -1.81259e+00 -3.81834e+00 0.00000e+00 0.00000e+00 3.67114e+01 244.606 1.82199e+01 64.606  0.8717 
1 1 1 17 16 31 o 15 8.52040e+01 8.87760e+00 9.08410e+01 306.450 1.05526e+01  -1.42871e+01 0.00000e+00 0.00000e+00 1.23464e+02 306.450 3.26232e+01 306.450 0.9714 
1 1 1 17 16 32 o 1  6.04507e+01 1.18403e+01 7.77085e+01 273.589 5.67731e-01  -9.05163e+00 0.00000e+00 0.00000e+00 6.95094e+01 273.589 8.19907e+00 93.589  0.9431 
1 1 1 17 16 33 o 14 2.95980e+01 9.84743e+00 6.87789e+00 302.478 2.54738e-01  -4.00198e-01 0.00000e+00 0.00000e+00 1.07093e+01 302.478 3.83141e+00 302.478 0.2308 
1 1 1 17 16 34 o 5  3.87585e+01 1.13469e+01 1.74319e+01 263.539 -1.66160e-01 -1.46730e+00 0.00000e+00 0.00000e+00 4.13116e+01 263.539 2.38797e+01 263.539 0.5903 
1 1 1 17 16 35 o 18 4.19101e+01 1.20968e+01 6.34671e+01 82.126  7.45299e-01  5.38874e+00  0.00000e+00 0.00000e+00 3.33757e+01 82.126  3.00914e+01 262.126 0.9027 
1 1 1 17 16 36 o 16 4.50907e+01 1.32072e+01 5.10825e+01 269.401 -4.94623e-02 -4.73532e+00 0.00000e+00 0.00000e+00 5.09717e+01 269.401 1.10767e-01 89.402  0.8869 
1 1 1 17 17 0  o 8  2.95079e+01 1.94585e+01 4.01822e+01 0.000   4.19404e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.46416e+00 180.000 4.86463e+01 180.000 0.3964 
1 1 1 17 17 1  o 13 1.28368e+02 9.98655e+00 1.63726e+02 90.000  9.95786e-16  1.62624e+01  0.00000e+00 0.00000e+00 1.84324e+02 90.000  2.05983e+01 90.000  1.0000 
1 1 1 17 17 2  o 2  8.81863e+01 1.46594e+01 1.20383e+02 0.000   7.32471e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.18689e+02 0.000   1.69337e+00 180.000 1.0000 
1 1 1 17 17 3  o 14 3.31826e+01 2.04786e+01 8.55969e+01 270.000 -1.00655e-16 -1.64383e+00 0.00000e+00 0.00000e+00 2.13372e+00 90.000  8.77306e+01 90.000  0.9280 
1 1 1 17 17 4  o 8  3.26096e+01 1.96683e+01 4.90566e+01 0.000   9.48989e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.62691e+01 0.000   3.27875e+01 180.000 0.7393 
1 1 1 17 17 5  o 17 6.53498e+01 1.81937e+01 3.06533e+01 270.000 -7.89240e-17 -1.28893e+00 0.00000e+00 0.00000e+00 1.21364e+02 270.000 9.07111e+01 270.000 0.8588 
1 1 1 17 17 6  o 12 3.27242e+01 1.88986e+01 5.22354e+00 180.000 -1.07341e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.24972e+00 180.000 9.73817e-01 0.000   0.1069 
1 1 1 17 17 7  o 12 9.48322e+01 1.12321e+01 1.15027e+02 270.000 -5.20452e-16 -8.49963e+00 0.00000e+00 0.00000e+00 1.41563e+02 270.000 2.65359e+01 270.000 1.0000 
1 1 1 17 17 8  o 19 8.43904e+01 1.26615e+01 8.24499e+01 180.000 -5.21693e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.45727e+02 180.000 6.32769e+01 180.000 0.9999 
1 1 1 17 17 9  o 6  2.48518e+01 1.61562e+01 1.03061e+02 90.000  1.06363e-16  1.73704e+00  0.00000e+00 0.00000e+00 3.99486e+01 270.000 1.43010e+02 270.000 0.9399 
1 1 1 17 17 10 o 2  2.41381e+01 1.58696e+01 1.21545e+02 0.000   2.22722e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.78756e+01 180.000 1.79421e+02 180.000 0.9770 
1 1 1 17 17 11 o 7  6.14201e+01 1.77007e+01 7.52398e+01 90.000  2.01406e-16  3.28922e+00  0.00000e+00 0.00000e+00 8.99714e+01 90.000  1.47316e+01 90.000  0.9972 
1 1 1 17 17 12 o 5  3.79907e+01 1.95686e+01 2.68800e+00 0.000   6.79013e-02  0.00000e+00  0.00000e+00 0.00000e+00 4.25255e+00 0.000   1.56455e+00 0.000   0.0678 
1 1 1 17 17 13 o 1  3.50617e+01 1.89384e+01 6.23606e+01 90.000  9.16446e-17  1.49667e+00  0.00000e+00 0.00000e+00 2.30084e+01 90.000  3.93523e+01 270.000 0.9045 
1 1 1 17 17 14 o 10 5.16862e+01 2.03860e+01 6.46308e+01 0.000   2.16428e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.07170e+01 0.000   6.08617e+00 0.000   0.9740 
1 1 1 17 17 15 o 17 4.64658e+01 2.06373e+01 1.07529e+01 90.000  1.95646e-17  3.19514e-01  0.00000e+00 0.00000e+00 2.78104e+01 90.000  1.70574e+01 90.000  0.3091 
1 1 1 17 17 16 o 8  2.91958e+01 1.80015e+01 4.89623e+01 0.000   9.86207e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.02074e+01 0.000   3.87549e+01 180.000 0.7557 
1 1 1 17 17 17 o 19 1.12288e+02 1.03169e+01 1.36465e+02 90.000  8.04830e-16  1.31439e+01  0.00000e+00 0.00000e+00 1.64227e+02 90.000  2.77616e+01 90.000  1.0000 
1 1 1 17 17 18 o 17 3.27860e+01 1.90687e+01 1.26793e+01 0.000   3.05437e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.32938e+01 0.000   6.14479e-01 0.000   0.2963 
1 1 1 17 17 19 o 2  1.61427e+01 1.17083e+01 1.71379e+01 270.000 -1.58956e-17 -2.59595e-01 0.00000e+00 0.00000e+00 6.19564e+00 90.000  2.33335e+01 90.000  0.2539 
1 1 1 17 17 20 o 5  8.24359e+01 1.28496e+01 9.75177e+01 0.000   7.21539e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.22180e+02 0.000   2.46620e+01 0.000   1.0000 
1 1 1 17 17 21 o 14 9.96997e+01 1.04792e+01 1.12087e+02 270.000 -6.59743e-16 -1.07744e+01 0.00000e+00 0.00000e+00 1.53151e+02 270.000 4.10641e+01 270.000 1.0000 
1 1 1 17 17 22 o 2  2.96972e+01 1.78549e+01 3.18012e+01 180.000 -7.13512e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.65295e+01 180.000 1.52717e+01 0.000   0.6129 
1 1 1 17 17 23 o 17 4.88832e+01 2.00183e+01 6.05186e+01 90.000  1.34659e-16  2.19915e+00  0.00000e+00 0.00000e+00 6.58880e+01 90.000  5.36947e+00 90.000  0.9757 
1 1 1 17 17 24 o 16 3.45699e+01 1.92139e+01 4.62879e+01 180.000 -1.29904e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.24809e+01 180.000 1.38070e+01 0.000   0.8615 
1 1 1 17 17 25 o 4  5.45501e+01 1.99122e+01 4.68256e+01 270.000 -1.22640e-16 -2.00286e+00 0.00000e+00 0.00000e+00 9.20002e+01 270.000 4.51746e+01 270.000 0.9642 
1 1 1 17 17 26 o 19 2.97455e+01 1.80311e+01 1.21888e+01 180.000 -3.17868e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.19055e+01 180.000 2.83356e-01 0.000   0.3076 
1 1 1 17 17 27 f 0  4.39789e+01 2.09646e+01 6.55779e+01 270.000 -1.43177e-16 -2.33825e+00 0.00000e+00 0.00000e+00 4.78452e+01 270.000 1.77327e+01 90.000  0.9815 
1 1 1 17 17 28 o 16 1.94559e+01 1.37466e+01 3.93517e+01 180.000 -8.42435e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.30998e+00 0.000   4.36617e+01 0.000   0.6871 
1 1 1 17 17 29 o 16 4.14100e+01 2.01862e+01 7.03761e+00 90.000  1.58091e-17  2.58183e-01  0.00000e+00 0.00000e+00 2.03137e+01 90.000  1.32760e+01 90.000  0.2526 
1 1 1 17 17 30 f 0  1.91104e+01 1.36201e+01 2.87552e+01 180.000 -6.75551e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.83771e-01 180.000 2.81715e+01 0.000   0.5886 
1 1 1 17 17 31 o 9  1.93518e+01 1.37454e+01 4.51389e+01 90.000  6.48416e-17  1.05894e+00  0.00000e+00 0.00000e+00 5.60836e+00 270.000 5.07473e+01 270.000 0.7853 
1 1 1 17 17 32 o 4  7.52759e+01 1.71904e+01 9.20534e+01 0.000   7.06845e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.03234e+02 0.000   1.11807e+01 0.000   1.0000 
1 1 1 17 17 33 o 17 3.65661e+01 2.56779e+01 5.51305e+00 270.000 -8.98182e-18 -1.46684e-01 0.00000e+00 0.00000e+00 8.26424e+00 270.000 2.75119e+00 270.000 0.1456 
1 1 1 18 0  4  o 12 9.77217e+01 1.89914e+01 1.55661e+02 0.000   2.79092e+00  0.00000e+00  0.00000e+00 0.00000e+00 9.78170e+01 0.000   5.78443e+01 180.000 0.9925 
1 1 1 18 0  5  o 4  6.66543e+01 2.43040e+01 3.78025e+01 45.000  3.34680e-01  3.34680e-01  0.00000e+00 0.00000e+00 3.89672e+01 45.000  1.16469e+00 45.000  0.4409 
1 1 1 18 0  6  o 16 1.80132e+02 9.39868e+00 1.67100e+02 270.000 -3.93224e-16 -6.42183e+00 0.00000e+00 0.00000e+00 3.03264e+02 270.000 1.36163e+02 270.000 1.0000 
1 1 1 18 0  7  f 0  4.26248e+02 7.56364e+00 3.40116e+02 315.000 2.19515e+01  -2.19515e+01 0.00000e+00 0.00000e+00 7.72293e+02 315.000 4.32177e+02 315.000 1.0000 
1 1 1 18 0  8  o 9  1.17432e+02 1.22657e+01 1.29898e+02 180.000 -3.16571e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.75285e+02 180.000 4.53874e+01 180.000 0.9964 
1 1 1 18 0  9  o 14 6.46896e+01 2.07027e+01 5.59488e+01 45.000  4.91063e-01  4.91063e-01  0.00000e+00 0.00000e+00 4.53490e+01 45.000  1.05998e+01 225.000 0.6008 
1 1 1 18 0  10 o 17 3.23742e+02 6.32245e+00 3.92559e+02 90.000  1.90342e-15  3.10851e+01  0.00000e+00 0.00000e+00 4.50477e+02 90.000  5.79174e+01 90.000  1.0000 
1 1 1 18 0  11 f 0  2.74287e+02 6.53851e+00 1.48174e+02 315.000 6.97067e+00  -6.97067e+00 0.00000e+00 0.00000e+00 5.65433e+02 315.000 4.17259e+02 315.000 1.0000 
1 1 1 18 0  12 o 12 4.54302e+01 2.21326e+01 5.53226e+00 0.000   5.30503e-02  0.00000e+00  0.00000e+00 0.00000e+00 7.25921e-01 0.000   4.80634e+00 180.000 0.0530 
1 1 1 18 0  13 o 7  7.43532e+01 1.84128e+01 1.12445e+02 225.000 -1.29366e+00 -1.29366e+00 0.00000e+00 0.00000e+00 7.09030e+01 225.000 4.15421e+01 45.000  0.9498 
1 1 1 18 0  14 o 12 1.72688e+02 8.30395e+00 3.01073e+02 90.000  7.47059e-16  1.22004e+01  0.00000e+00 0.00000e+00 1.46754e+02 90.000  1.54319e+02 270.000 1.0000 
1 1 1 18 0  15 o 2  2.73119e+02 6.42991e+00 2.95676e+02 135.000 -1.36186e+01 1.36186e+01  0.00000e+00 0.00000e+00 4.11711e+02 135.000 1.16036e+02 135.000 1.0000 
1 1 1 18 0  16 o 9  9.67736e+01 1.27755e+01 1.26291e+02 0.000   2.77839e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.22096e+02 0.000   4.19510e+00 180.000 0.9923 
1 1 1 18 0  17 o 13 2.10363e+02 8.06485e+00 1.84581e+02 45.000  7.18977e+00  7.18977e+00  0.00000e+00 0.00000e+00 3.58765e+02 45.000  1.74184e+02 45.000  1.0000 
1 1 1 18 0  18 f 0  1.00804e+02 1.27827e+01 1.30201e+02 270.000 -2.01327e-16 -3.28791e+00 0.00000e+00 0.00000e+00 1.29049e+02 270.000 1.15169e+00 90.000  0.9972 
1 1 1 18 0  19 o 1  1.54996e+02 8.99085e+00 2.59841e+02 315.000 8.39288e+00  -8.39288e+00 0.00000e+00 0.00000e+00 1.39255e+02 315.000 1.20586e+02 135.000 1.0000 
1 1 1 18 0  20 o 4  2.10453e+02 7.68236e+00 2.65895e+02 0.000   1.64144e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.75085e+02 0.000   9.18934e+00 0.000   1.0000 
1 1 1 18 0  21 o 10 1.43734e+02 9.07885e+00 2.20389e+02 225.000 -6.03271e+00 -6.03271e+00 0.00000e+00 0.00000e+00 1.48435e+02 225.000 7.19540e+01 45.000  1.0000 
1 1 1 18 0  22 o 19 2.90942e+01 1.82350e+01 1.10794e+02 270.000 -4.82867e-17 -7.88582e-01 0.00000e+00 0.00000e+00 6.17908e+01 90.000  1.72585e+02 90.000  0.6576 
1 1 1 18 0  23 o 19 1.08685e+02 1.08902e+01 7.52932e+01 315.000 2.01536e+00  -2.01536e+00 0.00000e+00 0.00000e+00 2.00684e+02 315.000 1.25390e+02 315.000 0.9933 
1 1 1 18 0  24 o 6  7.59589e+01 1.69214e+01 5.83130e+01 0.000   1.48289e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.16478e+02 0.000   5.81649e+01 0.000   0.9020 
1 1 1 18 0  25 o 7  3.44195e+02 6.03335e+00 3.99908e+02 45.000  3.67031e+01  3.67031e+01  0.00000e+00 0.00000e+00 4.76318e+02 45.000  7.64097e+01 45.000  1.0000 
1 1 1 18 0  26 o 7  2.08340e+01 1.45225e+01 3.02871e+01 270.000 -1.32531e-17 -2.16439e-01 0.00000e+00 0.00000e+00 1.90085e+01 90.000  4.92955e+01 90.000  0.2131 
1 1 1 18 0  27 o 10 5.56928e+01 2.06435e+01 6.85338e+01 315.000 8.53966e-01  -8.53966e-01 0.00000e+00 0.00000e+00 4.94606e+01 315.000 1.90732e+01 135.000 0.8360 
1 1 1 18 0  28 o 5  1.53409e+02 8.23660e+00 1.83450e+02 180.000 -1.13012e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.04419e+02 180.000 2.09692e+01 180.000 1.0000 
1 1 1 18 0  29 o 16 1.40095e+02 8.79034e+00 1.94325e+02 225.000 -7.37953e+00 -7.37953e+00 0.00000e+00 0.00000e+00 1.59012e+02 225.000 3.53131e+01 45.000  1.0000 
1 1 1 18 0  30 o 18 2.52838e+01 1.66351e+01 1.03144e+01 90.000  6.84595e-18  1.11803e-01  0.00000e+00 0.00000e+00 3.23247e+00 270.000 1.35469e+01 270.000 0.1113 
1 1 1 18 0  31 o 19 3.51852e+01 1.97029e+01 7.00248e+01 135.000 -6.36604e-01 6.36604e-01  0.00000e+00 0.00000e+00 6.77526e+00 315.000 7.68000e+01 315.000 0.7164 
1 1 1 18 0  32 o 12 3.20301e+01 1.92073e+01 9.08683e+00 180.000 -1.05704e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.46272e-01 0.000   9.73311e+00 0.000   0.1053 
1 1 1 18 0  33 o 6  1.42481e+02 9.76669e+00 1.94743e+02 225.000 -1.00449e+01 -1.00449e+01 0.00000e+00 0.00000e+00 1.60786e+02 225.000 3.39574e+01 45.000  1.0000 
1 1 1 18 0  34 o 8  1.75727e+02 8.58193e+00 2.05164e+02 90.000  1.18007e-15  1.92720e+01  0.00000e+00 0.00000e+00 2.32057e+02 90.000  2.68935e+01 90.000  1.0000 
1 1 1 18 0  35 o 17 5.93814e+01 2.14902e+01 6.86518e+01 315.000 1.17370e+00  -1.17370e+00 0.00000e+00 0.00000e+00 6.83724e+01 315.000 2.79420e-01 135.000 0.9302 
1 1 1 18 0  36 o 4  1.24248e+02 9.29906e+00 1.15696e+02 0.000   9.12172e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.91580e+02 0.000   7.58837e+01 0.000   1.0000 
1 1 1 18 0  38 o 6  4.24153e+01 1.93812e+01 4.38405e+01 90.000  6.46097e-17  1.05516e+00  0.00000e+00 0.00000e+00 3.78549e+01 90.000  5.98553e+00 270.000 0.7838 
1 1 1 18 0  39 o 19 1.84912e+01 1.29774e+01 2.11043e+00 315.000 1.85367e-02  -1.85367e-02 0.00000e+00 0.00000e+00 9.23465e-01 135.000 3.03390e+00 135.000 0.0262 
1 1 1 18 0  40 o 7  1.25279e+02 8.27687e+00 1.71449e+02 180.000 -1.48442e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.34343e+02 180.000 3.71064e+01 0.000   1.0000 
1 1 1 18 0  41 o 16 1.09581e+02 9.06931e+00 1.52967e+02 225.000 -8.51783e+00 -8.51783e+00 0.00000e+00 0.00000e+00 1.13572e+02 225.000 3.93951e+01 45.000  1.0000 
1 1 1 18 0  42 o 17 4.47809e+01 1.94099e+01 9.35412e+01 270.000 -1.50034e-16 -2.45025e+00 0.00000e+00 0.00000e+00 1.33892e+01 270.000 8.01520e+01 90.000  0.9852 
1 1 1 18 0  43 o 11 2.94488e+01 1.85422e+01 4.00111e-01 315.000 5.52942e-03  -5.52942e-03 0.00000e+00 0.00000e+00 1.55966e-01 315.000 2.44145e-01 135.000 0.0078 
1 1 1 18 0  44 o 9  1.01065e+02 1.13798e+01 1.76670e+02 0.000   1.38572e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.64684e+01 0.000   1.10201e+02 180.000 1.0000 
1 1 1 18 0  45 o 3  8.61279e+01 1.35883e+01 1.13146e+02 45.000  5.73005e+00  5.73005e+00  0.00000e+00 0.00000e+00 9.32622e+01 45.000  1.98838e+01 225.000 1.0000 
1 1 1 18 0  46 o 2  3.23361e+01 1.92837e+01 7.33555e+01 270.000 -1.01068e-16 -1.65057e+00 0.00000e+00 0.00000e+00 1.65010e+00 90.000  7.50056e+01 90.000  0.9289 
1 1 1 18 0  47 o 15 4.67244e+01 1.97869e+01 7.03299e+01 135.000 -1.69113e+00 1.69113e+00  0.00000e+00 0.00000e+00 3.89175e+01 135.000 3.14124e+01 315.000 0.9834 
1 1 1 18 0  48 o 14 1.98699e+01 1.38635e+01 3.93722e+01 0.000   7.33445e-01  0.00000e+00  0.00000e+00 0.00000e+00 9.95854e+00 180.000 4.93308e+01 180.000 0.6252 
1 1 1 18 0  49 o 12 2.45015e+01 1.61133e+01 4.26874e+01 225.000 -7.13314e-01 -7.13314e-01 0.00000e+00 0.00000e+00 1.52460e+00 225.000 4.11628e+01 45.000  0.7653 
1 1 1 18 0  50 o 6  2.51517e+01 1.65459e+01 3.48132e+01 270.000 -5.03383e-17 -8.22087e-01 0.00000e+00 0.00000e+00 5.11958e+00 270.000 2.96936e+01 90.000  0.6762 
1 1 1 18 0  51 f 0  2.87677e+01 1.78165e+01 7.22760e+01 315.000 1.45326e+00  -1.45326e+00 0.00000e+00 0.00000e+00 7.19546e+00 135.000 7.94714e+01 135.000 0.9677 
1 1 1 18 0  52 o 16 2.22950e+01 1.52221e+01 7.69472e+00 0.000   1.83325e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.71259e+00 0.000   5.98213e+00 180.000 0.1813 
1 1 1 18 1  3  o 19 1.82370e+02 1.10163e+01 2.68300e+02 85.780  1.36053e+00  1.84368e+01  0.00000e+00 0.00000e+00 1.95452e+02 85.780  7.28484e+01 265.780 0.9726 
1 1 1 18 1  4  o 18 2.32126e+02 6.61393e+00 2.94470e+02 272.989 1.52996e+00  -2.92961e+01 0.00000e+00 0.00000e+00 3.01843e+02 272.989 7.37312e+00 272.989 0.9828 
1 1 1 18 1  5  o 4  5.56288e+01 1.38694e+01 1.20473e+02 26.000  2.37870e+00  1.16017e+00  0.00000e+00 0.00000e+00 7.09466e+00 206.000 1.27568e+02 206.000 0.7800 
1 1 1 18 1  6  o 11 6.88173e+01 1.45543e+01 7.51416e+01 262.478 -2.63651e-01 -1.99672e+00 0.00000e+00 0.00000e+00 5.06774e+01 262.478 2.44642e+01 82.478  0.7001 
1 1 1 18 1  7  o 15 3.61182e+02 4.95757e+00 3.44983e+02 211.827 -4.53458e+01 -2.81447e+01 0.00000e+00 0.00000e+00 5.88880e+02 211.827 2.43897e+02 211.827 0.9906 
1 1 1 18 1  8  o 15 1.71194e+02 6.46572e+00 2.97189e+02 171.277 -2.12127e+01 3.25461e+00  0.00000e+00 0.00000e+00 1.38831e+02 171.277 1.58357e+02 351.277 0.9764 
1 1 1 18 1  9  o 9  1.94409e+02 5.29235e+00 1.92537e+02 356.986 1.82808e+01  -9.62426e-01 0.00000e+00 0.00000e+00 3.00158e+02 356.986 1.07621e+02 356.986 0.9723 
1 1 1 18 1  10 o 2  7.91776e+01 1.10145e+01 1.14316e+02 48.854  2.73176e+00  3.12639e+00  0.00000e+00 0.00000e+00 6.49043e+01 48.854  4.94117e+01 228.854 0.8691 
1 1 1 18 1  11 f 0  1.19536e+02 7.48065e+00 1.24226e+02 258.950 -1.34862e+00 -6.90599e+00 0.00000e+00 0.00000e+00 1.63776e+02 258.950 3.95502e+01 258.950 0.9259 
1 1 1 18 1  12 o 14 1.47018e+02 6.28755e+00 1.44255e+02 126.016 -5.92178e+00 8.14583e+00  0.00000e+00 0.00000e+00 2.18413e+02 126.016 7.41587e+01 126.016 0.9490 
1 1 1 18 1  13 o 8  1.63422e+02 5.88309e+00 2.25142e+02 29.324  1.51737e+01  8.52338e+00  0.00000e+00 0.00000e+00 1.86831e+02 29.324  3.83107e+01 209.324 0.9708 
1 1 1 18 1  14 o 6  2.72676e+02 4.55510e+00 2.97029e+02 112.472 -1.46219e+01 3.53494e+01  0.00000e+00 0.00000e+00 4.00889e+02 112.472 1.03860e+02 112.472 0.9868 
1 1 1 18 1  15 o 17 1.49125e+02 6.22583e+00 2.46177e+02 55.911  9.68655e+00  1.43130e+01  0.00000e+00 0.00000e+00 1.28768e+02 55.911  1.17409e+02 235.911 0.9706 
1 1 1 18 1  16 o 2  8.23749e+01 1.12805e+01 2.01735e+01 128.761 -4.59802e-01 5.72681e-01  0.00000e+00 0.00000e+00 5.32371e+01 128.761 3.30636e+01 128.761 0.3445 
1 1 1 18 1  17 o 3  2.06604e+02 5.45617e+00 2.45361e+02 186.183 -2.63945e+01 -2.85941e+00 0.00000e+00 0.00000e+00 2.78200e+02 186.183 3.28387e+01 186.183 0.9810 
1 1 1 18 1  18 o 12 2.56219e+02 5.04704e+00 2.85521e+02 331.078 3.32292e+01  -1.83602e+01 0.00000e+00 0.00000e+00 3.66597e+02 331.078 8.10757e+01 331.078 0.9867 
1 1 1 18 1  19 o 9  1.80281e+02 5.85782e+00 1.89333e+02 169.305 -1.98258e+01 3.74424e+00  0.00000e+00 0.00000e+00 2.63279e+02 169.305 7.39460e+01 169.305 0.9749 
1 1 1 18 1  20 f 0  1.74347e+02 5.85808e+00 2.58735e+02 273.329 1.52866e+00  -2.62774e+01 0.00000e+00 0.00000e+00 1.80898e+02 273.329 7.78366e+01 93.329  0.9808 
1 1 1 18 1  21 o 16 1.17583e+02 7.48352e+00 1.50853e+02 347.092 9.20201e+00  -2.10894e+00 0.00000e+00 0.00000e+00 1.34450e+02 347.092 1.64027e+01 167.092 0.9455 
1 1 1 18 1  22 f 0  4.54097e+01 1.23618e+01 6.45592e+01 77.786  4.03228e-01  1.86284e+00  0.00000e+00 0.00000e+00 1.47393e+01 77.786  4.98198e+01 257.786 0.6817 
1 1 1 18 1  23 o 4  1.79383e+02 5.45613e+00 2.30733e+02 308.098 1.82394e+01  -2.32629e+01 0.00000e+00 0.00000e+00 2.20063e+02 308.098 1.06698e+01 128.098 0.9829 
1 1 1 18 1  24 o 11 1.17731e+02 7.15164e+00 1.53302e+02 163.532 -1.25568e+01 3.71187e+00  0.00000e+00 0.00000e+00 1.35377e+02 163.532 1.79245e+01 343.532 0.9610 
1 1 1 18 1  25 o 8  1.96350e+02 5.27853e+00 2.43179e+02 222.106 -2.64291e+01 -2.38853e+01 0.00000e+00 0.00000e+00 2.49679e+02 222.106 6.50031e+00 222.106 0.9859 
1 1 1 18 1  26 f 0  9.57864e+01 8.45810e+00 1.74731e+02 265.272 -9.73794e-01 -1.17730e+01 0.00000e+00 0.00000e+00 5.80746e+01 265.272 1.16656e+02 85.272  0.9567 
1 1 1 18 1  27 o 17 8.02672e+01 1.00245e+01 1.63150e+02 158.074 -8.43827e+00 3.39665e+00  0.00000e+00 0.00000e+00 2.87701e+01 158.074 1.34380e+02 338.074 0.9433 
1 1 1 18 1  28 o 11 7.78391e+01 1.04821e+01 7.93348e+01 332.607 4.08226e+00  -2.11545e+00 0.00000e+00 0.00000e+00 9.44935e+01 332.607 1.51587e+01 332.607 0.8831 
1 1 1 18 1  29 o 5  1.61868e+02 5.81686e+00 1.71821e+02 21.914  1.98444e+01  7.98288e+00  0.00000e+00 0.00000e+00 2.26826e+02 21.914  5.50049e+01 21.914  0.9763 
1 1 1 18 1  30 o 6  5.89136e+01 1.18916e+01 1.07121e+02 85.384  4.33526e-01  5.36905e+00  0.00000e+00 0.00000e+00 2.65285e+01 85.384  8.05929e+01 265.384 0.9016 
1 1 1 18 1  31 o 19 1.15419e+02 7.24357e+00 1.25438e+02 17.928  1.15524e+01  3.73752e+00  0.00000e+00 0.00000e+00 1.52005e+02 17.928  2.65665e+01 17.928  0.9579 
1 1 1 18 1  32 o 10 8.03620e+01 1.10600e+01 1.12567e+02 322.749 6.82634e+00  -5.19111e+00 0.00000e+00 0.00000e+00 7.64331e+01 322.749 3.61336e+01 142.749 0.9398 
1 1 1 18 1  33 o 8  1.92719e+02 5.19367e+00 2.26350e+02 43.032  3.51319e+01  3.27978e+01  0.00000e+00 0.00000e+00 2.49575e+02 43.032  2.32247e+01 43.032  0.9895 
1 1 1 18 1  34 o 8  7.28876e+01 1.19030e+01 9.50186e+01 309.067 3.96460e+00  -4.88423e+00 0.00000e+00 0.00000e+00 7.12401e+01 309.067 2.37786e+01 129.067 0.9167 
1 1 1 18 1  35 o 19 8.78787e+01 9.52193e+00 9.38674e+01 292.647 3.54922e+00  -8.50659e+00 0.00000e+00 0.00000e+00 1.11972e+02 292.647 1.81046e+01 292.647 0.9441 
1 1 1 18 1  36 o 1  7.06125e+01 1.08337e+01 5.74089e+01 61.960  2.16396e+00  4.06290e+00  0.00000e+00 0.00000e+00 9.68631e+01 61.960  3.94542e+01 61.960  0.8833 
1 1 1 18 1  38 o 9  7.47374e+01 9.73533e+00 5.87324e+01 138.371 -4.27371e+00 3.79828e+00  0.00000e+00 0.00000e+00 1.08003e+02 138.371 4.92703e+01 138.371 0.9077 
1 1 1 18 1  39 o 18 1.17301e+02 6.22000e+00 1.58079e+02 263.067 -3.24665e+00 -2.67002e+01 0.00000e+00 0.00000e+00 1.23863e+02 263.067 3.42162e+01 83.067  0.9812 
1 1 1 18 1  40 o 19 3.50247e+01 1.03942e+01 5.41268e+01 309.382 1.47694e+00  -1.79918e+00 0.00000e+00 0.00000e+00 9.56340e+00 309.382 4.45634e+01 129.382 0.7449 
1 1 1 18 1  41 o 6  7.02426e+01 9.78258e+00 8.55747e+01 93.269  -4.49277e-01 7.86574e+00  0.00000e+00 0.00000e+00 7.40603e+01 93.269  1.15143e+01 273.269 0.9342 
1 1 1 18 1  42 o 14 6.30342e+01 1.06551e+01 5.50929e+01 152.238 -4.50947e+00 2.37380e+00  0.00000e+00 0.00000e+00 8.17457e+01 152.238 2.66528e+01 152.238 0.8956 
1 1 1 18 1  43 o 6  5.21836e+01 1.10064e+01 9.50901e+01 104.021 -1.73537e+00 6.94914e+00  0.00000e+00 0.00000e+00 2.17788e+01 104.021 7.33113e+01 284.021 0.9273 
1 1 1 18 1  44 o 2  5.21675e+01 1.15206e+01 2.73191e+01 133.451 -1.34870e+00 1.42367e+00  0.00000e+00 0.00000e+00 5.94501e+01 133.451 3.21310e+01 133.451 0.6913 
1 1 1 18 1  45 o 19 6.26871e+01 1.20807e+01 8.91971e+01 344.343 8.08254e+00  -2.26531e+00 0.00000e+00 0.00000e+00 5.17997e+01 344.343 3.73974e+01 164.343 0.9384 
1 1 1 18 1  46 o 8  4.67341e+01 1.11666e+01 7.86177e+01 311.388 3.76003e+00  -4.26667e+00 0.00000e+00 0.00000e+00 2.26054e+01 311.388 5.60123e+01 131.388 0.9072 
1 1 1 18 1  47 o 2  4.18092e+01 1.15719e+01 9.55829e+01 344.078 6.25885e+00  -1.78546e+00 0.00000e+00 0.00000e+00 4.15719e+00 164.078 9.97401e+01 164.078 0.9196 
1 1 1 18 1  48 o 8  7.29360e+01 9.59519e+00 7.38200e+01 49.244  6.99798e+00  8.11992e+00  0.00000e+00 0.00000e+00 9.06416e+01 49.244  1.68217e+01 49.244  0.9521 
1 1 1 18 1  49 o 4  3.71117e+01 1.09080e+01 5.10155e+01 73.216  1.08036e+00  3.58199e+00  0.00000e+00 0.00000e+00 2.36210e+01 73.216  2.73945e+01 253.216 0.8528 
1 1 1 18 1  50 o 18 7.22784e+01 9.87065e+00 7.77821e+01 256.104 -3.02908e+00 -1.22440e+01 0.00000e+00 0.00000e+00 8.50728e+01 256.104 7.29070e+00 256.104 0.9595 
1 1 1 18 1  51 o 2  9.34535e+01 1.11295e+01 1.17023e+02 175.887 -2.34357e+01 1.68524e+00  0.00000e+00 0.00000e+00 9.67752e+01 175.887 2.02475e+01 355.887 0.9785 
1 1 1 18 1  52 o 18 8.07356e+01 9.05889e+00 1.03514e+02 201.561 -2.03116e+01 -8.02590e+00 0.00000e+00 0.00000e+00 8.00588e+01 201.561 2.34555e+01 21.561  0.9768 
1 1 1 18 2  0  o 12 4.36155e+02 6.92916e+00 4.66423e+02 0.000   4.41331e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.74898e+02 0.000   2.08475e+02 0.000   1.0000 
1 1 1 18 2  1  o 19 1.22330e+02 8.06914e+00 1.00174e+02 354.404 5.16899e+00  -5.06491e-01 0.00000e+00 0.00000e+00 1.87173e+02 354.404 8.69986e+01 354.404 0.8977 
1 1 1 18 2  2  o 4  1.37532e+02 7.37720e+00 2.03715e+02 279.504 1.97005e+00  -1.17680e+01 0.00000e+00 0.00000e+00 1.40690e+02 279.504 6.30248e+01 99.504  0.9571 
1 1 1 18 2  3  o 13 1.51309e+02 8.10345e+00 2.18023e+02 308.191 8.61593e+00  -1.09522e+01 0.00000e+00 0.00000e+00 1.63288e+02 308.191 5.47350e+01 128.192 0.9634 
1 1 1 18 2  4  o 12 3.52026e+02 5.76183e+00 3.77363e+02 82.008  7.92268e+00  5.64321e+01  0.00000e+00 0.00000e+00 5.35063e+02 82.008  1.57700e+02 82.008  0.9912 
1 1 1 18 2  5  o 3  1.05799e+02 9.39716e+00 1.39829e+02 189.717 -6.04725e+00 -1.03557e+00 0.00000e+00 0.00000e+00 1.13055e+02 189.717 2.67747e+01 9.717   0.9144 
1 1 1 18 2  6  f 0  1.37703e+02 8.29313e+00 1.67069e+02 30.373  8.28534e+00  4.85577e+00  0.00000e+00 0.00000e+00 1.73430e+02 30.373  6.36105e+00 30.373  0.9464 
1 1 1 18 2  7  o 5  7.52619e+01 1.31472e+01 1.27490e+02 75.588  9.39069e-01  3.65416e+00  0.00000e+00 0.00000e+00 4.03810e+01 75.588  8.71090e+01 255.588 0.8542 
1 1 1 18 2  8  o 1  2.85479e+02 4.58411e+00 4.11858e+02 197.641 -5.50575e+01 -1.75090e+01 0.00000e+00 0.00000e+00 3.26643e+02 197.641 8.52154e+01 17.641  0.9913 
1 1 1 18 2  9  o 10 1.40611e+02 6.64036e+00 1.29081e+02 69.147  3.10978e+00  8.16381e+00  0.00000e+00 0.00000e+00 2.15911e+02 69.147  8.68309e+01 69.147  0.9409 
1 1 1 18 2  10 o 13 1.08412e+02 7.87454e+00 1.20550e+02 187.579 -6.12575e+00 -8.15071e-01 0.00000e+00 0.00000e+00 1.37928e+02 187.579 1.73782e+01 187.579 0.9151 
1 1 1 18 2  11 o 1  1.28153e+02 7.00650e+00 1.86265e+02 250.991 -3.67887e+00 -1.06789e+01 0.00000e+00 0.00000e+00 1.32209e+02 250.991 5.40555e+01 70.991  0.9547 
1 1 1 18 2  12 o 11 2.11151e+02 4.99958e+00 2.81903e+02 161.846 -2.69991e+01 8.85276e+00  0.00000e+00 0.00000e+00 2.57459e+02 161.846 2.44440e+01 341.846 0.9822 
1 1 1 18 2  13 o 18 1.96221e+02 5.23031e+00 2.62137e+02 89.148  3.61120e-01  2.42884e+01  0.00000e+00 0.00000e+00 2.36995e+02 89.148  2.51415e+01 269.148 0.9792 
1 1 1 18 2  14 o 9  3.19228e+02 4.43111e+00 3.93783e+02 299.236 2.93812e+01  -5.24948e+01 0.00000e+00 0.00000e+00 4.27619e+02 299.236 3.38361e+01 299.236 0.9917 
1 1 1 18 2  15 o 13 6.54709e+01 1.22777e+01 1.14134e+02 11.893  3.20422e+00  6.74827e-01  0.00000e+00 0.00000e+00 2.64184e+01 11.893  8.77157e+01 191.893 0.8284 
1 1 1 18 2  16 o 6  1.01322e+02 9.25074e+00 6.73541e+01 230.070 -1.97166e+00 -2.35559e+00 0.00000e+00 0.00000e+00 1.46402e+02 230.070 7.90481e+01 230.070 0.8152 
1 1 1 18 2  17 o 10 7.32034e+01 1.21338e+01 1.35538e+02 114.231 -1.96544e+00 4.36693e+00  0.00000e+00 0.00000e+00 3.25035e+01 114.231 1.03035e+02 294.231 0.8882 
1 1 1 18 2  18 o 13 1.92600e+02 5.76277e+00 1.95791e+02 22.238  1.79212e+01  7.32745e+00  0.00000e+00 0.00000e+00 2.88196e+02 22.238  9.24051e+01 22.238  0.9738 
1 1 1 18 2  19 o 17 1.16575e+02 8.11334e+00 1.13567e+02 240.149 -3.78412e+00 -6.59379e+00 0.00000e+00 0.00000e+00 1.66258e+02 240.149 5.26909e+01 240.149 0.9317 
1 1 1 18 2  20 o 1  1.92249e+02 5.34050e+00 2.47403e+02 2.786   2.59889e+01  1.26493e+00  0.00000e+00 0.00000e+00 2.37467e+02 2.786   9.93650e+00 182.786 0.9806 
1 1 1 18 2  21 o 18 2.38703e+02 4.63955e+00 2.98224e+02 262.365 -5.12637e+00 -3.82444e+01 0.00000e+00 0.00000e+00 3.06644e+02 262.365 8.41940e+00 262.365 0.9870 
1 1 1 18 2  22 o 12 7.91778e+01 1.07925e+01 8.74394e+01 135.618 -3.30183e+00 3.23141e+00  0.00000e+00 0.00000e+00 9.18830e+01 135.618 4.44353e+00 135.618 0.8838 
1 1 1 18 2  23 o 8  1.11579e+02 7.87051e+00 1.37393e+02 92.966  -5.47713e-01 1.05710e+01  0.00000e+00 0.00000e+00 1.34163e+02 92.966  3.22973e+00 272.966 0.9515 
1 1 1 18 2  24 o 10 9.76141e+01 8.78898e+00 1.79627e+02 69.506  4.32787e+00  1.15790e+01  0.00000e+00 0.00000e+00 5.92379e+01 69.506  1.20389e+02 249.506 0.9587 
1 1 1 18 2  25 o 16 7.65916e+01 1.10085e+01 9.53573e+01 83.132  5.95887e-01  4.94726e+00  0.00000e+00 0.00000e+00 7.88575e+01 83.132  1.64999e+01 263.132 0.8930 
1 1 1 18 2  26 o 16 1.09561e+02 7.83587e+00 1.61060e+02 236.778 -7.02956e+00 -1.07333e+01 0.00000e+00 0.00000e+00 1.06316e+02 236.778 5.47444e+01 56.778  0.9602 
1 1 1 18 2  27 o 7  2.13505e+02 4.98880e+00 2.81889e+02 9.825   4.39218e+01  7.60673e+00  0.00000e+00 0.00000e+00 2.53403e+02 9.825   2.84862e+01 189.825 0.9887 
1 1 1 18 2  28 o 16 1.06248e+02 7.71703e+00 8.56482e+01 124.937 -4.05443e+00 5.80395e+00  0.00000e+00 0.00000e+00 1.63356e+02 124.937 7.77081e+01 124.937 0.9264 
1 1 1 18 2  29 o 15 1.17888e+02 7.14602e+00 1.69865e+02 354.252 1.50030e+01  -1.51023e+00 0.00000e+00 0.00000e+00 1.17592e+02 354.252 5.22734e+01 174.252 0.9663 
1 1 1 18 2  30 o 12 8.85958e+01 8.48987e+00 9.61545e+01 235.916 -4.38450e+00 -6.47990e+00 0.00000e+00 0.00000e+00 1.12071e+02 235.916 1.59168e+01 235.916 0.9337 
1 1 1 18 2  31 o 7  7.63114e+01 1.00473e+01 1.25005e+02 85.110  6.46105e-01  7.55268e+00  0.00000e+00 0.00000e+00 5.34517e+01 85.110  7.15530e+01 265.110 0.9315 
1 1 1 18 2  32 f 0  3.77275e+01 1.09619e+01 4.24326e+01 158.458 -1.40999e+00 5.56599e-01  0.00000e+00 0.00000e+00 1.42457e+01 158.458 2.81869e+01 338.458 0.6000 
1 1 1 18 2  33 o 8  9.65526e+01 8.26960e+00 1.07881e+02 128.121 -6.67605e+00 8.50775e+00  0.00000e+00 0.00000e+00 1.21751e+02 128.121 1.38704e+01 128.121 0.9526 
1 1 1 18 2  34 o 19 8.98843e+01 9.67064e+00 9.92397e+01 8.743   8.43601e+00  1.29739e+00  0.00000e+00 0.00000e+00 1.10978e+02 8.743   1.17382e+01 8.743   0.9395 
1 1 1 18 2  35 o 7  5.56232e+01 1.24641e+01 5.37956e+01 127.881 -1.87777e+00 2.41373e+00  0.00000e+00 0.00000e+00 5.86133e+01 127.881 4.81771e+00 127.881 0.8142 
1 1 1 18 2  36 o 14 5.47582e+01 1.14796e+01 6.35775e+01 15.084  3.72865e+00  1.00497e+00  0.00000e+00 0.00000e+00 5.26791e+01 15.084  1.08984e+01 195.084 0.8580 
1 1 1 18 2  38 o 2  1.05564e+02 7.35704e+00 1.09967e+02 303.009 8.77898e+00  -1.35139e+01 0.00000e+00 0.00000e+00 1.41403e+02 303.009 3.14353e+01 303.009 0.9685 
1 1 1 18 2  39 o 13 1.10380e+02 6.96245e+00 1.17001e+02 297.567 8.49112e+00  -1.62645e+01 0.00000e+00 0.00000e+00 1.46019e+02 297.567 2.90176e+01 297.567 0.9724 
1 1 1 18 2  40 o 3  7.74907e+01 1.06970e+01 9.53065e+01 16.352  8.59094e+00  2.52064e+00  0.00000e+00 0.00000e+00 8.30413e+01 16.352  1.22652e+01 196.352 0.9424 
1 1 1 18 2  41 o 9  6.57841e+01 1.04678e+01 6.24237e+01 58.030  2.89988e+00  4.64621e+00  0.00000e+00 0.00000e+00 8.22092e+01 58.030  1.97854e+01 58.030  0.9034 
1 1 1 18 2  42 o 16 1.21008e+02 6.01868e+00 1.45712e+02 91.284  -6.69910e-01 2.98910e+01  0.00000e+00 0.00000e+00 1.42789e+02 91.284  2.92357e+00 271.284 0.9831 
1 1 1 18 2  43 o 13 5.70991e+01 1.18199e+01 7.63207e+01 16.909  5.81277e+00  1.76707e+00  0.00000e+00 0.00000e+00 4.97089e+01 16.909  2.66118e+01 196.909 0.9135 
1 1 1 18 2  44 o 4  1.40932e+02 6.23834e+00 1.76364e+02 180.539 -4.03516e+01 -3.79706e-01 0.00000e+00 0.00000e+00 1.58647e+02 180.539 1.77176e+01 0.539   0.9875 
1 1 1 18 2  45 o 9  9.35967e+01 8.08752e+00 5.94989e+01 169.093 -9.54231e+00 1.83883e+00  0.00000e+00 0.00000e+00 1.53055e+02 169.093 9.35557e+01 169.093 0.9471 
1 1 1 18 2  46 o 9  6.98180e+01 9.99221e+00 5.06685e+01 9.021   5.65193e+00  8.97265e-01  0.00000e+00 0.00000e+00 1.00720e+02 9.021   5.00520e+01 9.021   0.9078 
1 1 1 18 2  47 o 6  7.12839e+01 1.02783e+01 7.45812e+01 226.476 -6.29125e+00 -6.62413e+00 0.00000e+00 0.00000e+00 8.54296e+01 226.476 1.08483e+01 226.476 0.9436 
1 1 1 18 2  48 o 10 3.75298e+01 1.10424e+01 2.76438e+01 252.750 -5.70807e-01 -1.83827e+00 0.00000e+00 0.00000e+00 3.32670e+01 252.750 5.62317e+00 252.750 0.6850 
1 1 1 18 2  49 o 19 1.06240e+02 7.32242e+00 1.19436e+02 305.890 1.72930e+01  -2.38981e+01 0.00000e+00 0.00000e+00 1.26932e+02 305.890 7.49520e+00 305.890 0.9829 
1 1 1 18 2  50 o 18 4.07843e+01 1.12098e+01 2.41271e+01 266.185 -1.36396e-01 -2.04565e+00 0.00000e+00 0.00000e+00 4.35022e+01 266.185 1.93751e+01 266.185 0.7058 
1 1 1 18 2  51 o 13 3.26646e+01 1.02344e+01 2.03433e+01 87.560  6.36918e-02  1.49490e+00  0.00000e+00 0.00000e+00 2.51331e+01 87.560  4.78978e+00 87.560  0.5952 
1 1 1 18 2  52 o 7  5.76130e+01 1.14504e+01 6.60722e+01 143.238 -6.92036e+00 5.16993e+00  0.00000e+00 0.00000e+00 6.00673e+01 143.238 6.00498e+00 323.238 0.9402 
1 1 1 18 3  0  f 0  3.23838e+02 6.51221e+00 4.57407e+02 0.000   3.18430e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.90610e+02 0.000   6.67969e+01 180.000 1.0000 
1 1 1 18 3  1  o 15 4.81851e+02 4.68034e+00 5.99727e+02 145.475 -1.02283e+02 7.03637e+01  0.00000e+00 0.00000e+00 6.56923e+02 145.475 5.71956e+01 145.475 0.9960 
1 1 1 18 3  2  o 6  2.34337e+02 5.23232e+00 2.56749e+02 323.987 2.08198e+01  -1.51335e+01 0.00000e+00 0.00000e+00 3.44752e+02 323.987 8.80027e+01 323.987 0.9804 
1 1 1 18 3  3  o 5  2.11812e+02 6.21432e+00 2.56580e+02 41.151  1.73638e+01  1.51744e+01  0.00000e+00 0.00000e+00 2.85706e+02 41.151  2.91261e+01 41.151  0.9781 
1 1 1 18 3  4  o 4  9.22110e+01 1.16837e+01 6.81188e+01 145.547 -2.07918e+00 1.42645e+00  0.00000e+00 0.00000e+00 1.17034e+02 145.547 4.89154e+01 145.547 0.7673 
1 1 1 18 3  5  o 15 4.57822e+02 4.92344e+00 5.01810e+02 298.931 4.72450e+01  -8.54758e+01 0.00000e+00 0.00000e+00 6.89622e+02 298.931 1.87813e+02 298.931 0.9949 
1 1 1 18 3  6  o 13 1.89278e+02 6.13970e+00 2.47253e+02 95.434  -2.15545e+00 2.26568e+01  0.00000e+00 0.00000e+00 2.36631e+02 95.434  1.06220e+01 275.434 0.9778 
1 1 1 18 3  7  o 16 2.25009e+02 5.18445e+00 2.72551e+02 196.912 -2.85987e+01 -8.69556e+00 0.00000e+00 0.00000e+00 3.05502e+02 196.912 3.29518e+01 196.912 0.9831 
1 1 1 18 3  8  o 13 1.61070e+02 6.38103e+00 1.99431e+02 0.351   1.54383e+01  9.44474e-02  0.00000e+00 0.00000e+00 2.07331e+02 0.351   7.89948e+00 0.351   0.9671 
1 1 1 18 3  9  o 18 2.26577e+02 4.92305e+00 2.95034e+02 58.280  1.69659e+01  2.74491e+01  0.00000e+00 0.00000e+00 2.86986e+02 58.280  8.04813e+00 238.280 0.9844 
1 1 1 18 3  10 f 0  3.63818e+02 4.37805e+00 4.39866e+02 184.047 -7.69524e+01 -5.44422e+00 0.00000e+00 0.00000e+00 5.02573e+02 184.047 6.27063e+01 184.047 0.9935 
1 1 1 18 3  11 o 14 1.47448e+02 6.52509e+00 1.71842e+02 118.386 -5.67853e+00 1.05085e+01  0.00000e+00 0.00000e+00 1.95814e+02 118.386 2.39726e+01 118.386 0.9572 
1 1 1 18 3  12 f 0  6.28660e+01 1.26278e+01 1.85407e+02 138.081 -3.78521e+00 3.39858e+00  0.00000e+00 0.00000e+00 3.89214e+01 318.081 2.24328e+02 318.081 0.8954 
1 1 1 18 3  13 o 17 8.64897e+01 9.62538e+00 8.02404e+01 31.216  2.71660e+00  1.64629e+00  0.00000e+00 0.00000e+00 1.04631e+02 31.216  2.43901e+01 31.216  0.8222 
1 1 1 18 3  14 f 0  1.89945e+02 5.25350e+00 2.91661e+02 274.674 2.12847e+00  -2.60308e+01 0.00000e+00 0.00000e+00 1.92013e+02 274.674 9.96476e+01 94.675  0.9807 
1 1 1 18 3  15 o 18 1.09121e+02 8.19876e+00 9.13413e+01 331.090 3.97487e+00  -2.19515e+00 0.00000e+00 0.00000e+00 1.58117e+02 331.090 6.67759e+01 331.090 0.8815 
1 1 1 18 3  16 o 10 2.90472e+02 4.62762e+00 3.69449e+02 283.301 1.29587e+01  -5.48129e+01 0.00000e+00 0.00000e+00 3.76132e+02 283.301 6.68290e+00 283.301 0.9911 
1 1 1 18 3  17 o 10 1.77972e+02 5.73649e+00 2.02921e+02 36.979  1.48563e+01  1.11864e+01  0.00000e+00 0.00000e+00 2.44800e+02 36.979  4.18781e+01 36.979  0.9727 
1 1 1 18 3  18 o 17 1.89566e+02 5.83307e+00 1.98283e+02 358.356 2.21698e+01  -6.36218e-01 0.00000e+00 0.00000e+00 2.80067e+02 358.356 8.17840e+01 358.356 0.9772 
1 1 1 18 3  19 o 4  2.06475e+02 5.31518e+00 2.46189e+02 34.309  2.45804e+01  1.67734e+01  0.00000e+00 0.00000e+00 2.77118e+02 34.309  3.09291e+01 34.309  0.9831 
1 1 1 18 3  20 o 13 2.22505e+02 4.96326e+00 2.97786e+02 71.345  1.15190e+01  3.41187e+01  0.00000e+00 0.00000e+00 2.66899e+02 71.345  3.08869e+01 251.345 0.9860 
1 1 1 18 3  21 o 8  1.20030e+02 7.27720e+00 1.47021e+02 163.759 -1.20154e+01 3.50013e+00  0.00000e+00 0.00000e+00 1.48782e+02 163.759 1.76044e+00 163.759 0.9592 
1 1 1 18 3  22 o 1  2.51737e+02 4.77646e+00 2.61530e+02 87.969  1.67877e+00  4.73316e+01  0.00000e+00 0.00000e+00 3.77207e+02 87.969  1.15677e+02 87.969  0.9894 
1 1 1 18 3  23 o 16 2.45393e+02 4.69847e+00 2.06444e+02 240.155 -1.88236e+01 -3.28081e+01 0.00000e+00 0.00000e+00 4.13296e+02 240.155 2.06852e+02 240.155 0.9867 
1 1 1 18 3  24 o 3  6.57975e+01 1.21154e+01 9.15849e+01 43.722  2.92393e+00  2.79630e+00  0.00000e+00 0.00000e+00 5.38410e+01 43.722  3.77439e+01 223.722 0.8653 
1 1 1 18 3  25 o 19 3.83527e+01 1.14607e+01 1.04291e+02 351.379 2.65498e+00  -4.02536e-01 0.00000e+00 0.00000e+00 2.76724e+01 171.379 1.31963e+02 171.379 0.7837 
1 1 1 18 3  26 o 13 1.72602e+02 5.18405e+00 1.86100e+02 256.786 -5.47192e+00 -2.33032e+01 0.00000e+00 0.00000e+00 2.43624e+02 256.786 5.75233e+01 256.786 0.9789 
1 1 1 18 3  27 o 19 1.22666e+02 6.57441e+00 1.86750e+02 15.737  1.75820e+01  4.95438e+00  0.00000e+00 0.00000e+00 1.15880e+02 15.737  7.08704e+01 195.737 0.9722 
1 1 1 18 3  28 o 6  2.09233e+02 4.69305e+00 2.13714e+02 217.019 -2.79029e+01 -2.10409e+01 0.00000e+00 0.00000e+00 3.08337e+02 217.019 9.46229e+01 217.019 0.9856 
1 1 1 18 3  29 o 6  1.98938e+02 4.76356e+00 2.33337e+02 26.329  4.09012e+01  2.02406e+01  0.00000e+00 0.00000e+00 2.63515e+02 26.329  3.01779e+01 26.329  0.9890 
1 1 1 18 3  30 o 5  1.30307e+02 6.24404e+00 1.74542e+02 73.551  5.50894e+00  1.86585e+01  0.00000e+00 0.00000e+00 1.45142e+02 73.551  2.94002e+01 253.551 0.9740 
1 1 1 18 3  31 o 18 5.34734e+01 1.20380e+01 1.08831e+02 88.362  1.25773e-01  4.39910e+00  0.00000e+00 0.00000e+00 9.03231e+00 88.362  9.97991e+01 268.362 0.8773 
1 1 1 18 3  32 o 15 1.02752e+02 7.48335e+00 1.14975e+02 28.699  1.05493e+01  5.77540e+00  0.00000e+00 0.00000e+00 1.31521e+02 28.699  1.65456e+01 28.699  0.9575 
1 1 1 18 3  33 o 7  4.24709e+01 1.17121e+01 5.35237e+01 115.668 -9.32816e-01 1.94100e+00  0.00000e+00 0.00000e+00 2.30300e+01 115.668 3.04937e+01 295.668 0.7214 
1 1 1 18 3  34 o 8  6.99628e+01 1.10589e+01 9.27590e+01 324.110 4.83339e+00  -3.49752e+00 0.00000e+00 0.00000e+00 6.61690e+01 324.110 2.65900e+01 144.110 0.9118 
1 1 1 18 3  35 o 3  3.75255e+01 1.13166e+01 7.00345e+01 57.827  1.47293e+00  2.34144e+00  0.00000e+00 0.00000e+00 3.70213e+00 57.827  6.63323e+01 237.827 0.7911 
1 1 1 18 3  36 o 3  1.29729e+02 3.90953e+01 1.15144e+02 75.524  1.41659e+00  5.48717e+00  0.00000e+00 0.00000e+00 1.76177e+02 75.524  6.10331e+01 75.524  0.9069 
1 1 1 18 3  37 o 9  4.91746e+01 1.18777e+01 8.48046e+01 81.549  5.40763e-01  3.63962e+00  0.00000e+00 0.00000e+00 1.83690e+01 81.549  6.64356e+01 261.549 0.8500 
1 1 1 18 3  38 o 15 4.56303e+01 1.10435e+01 3.65729e+01 266.250 -1.38880e-01 -2.11903e+00 0.00000e+00 0.00000e+00 4.39338e+01 266.250 7.36089e+00 266.250 0.7171 
1 1 1 18 3  39 o 12 4.67223e+01 1.13963e+01 6.52986e+01 117.963 -1.71351e+00 3.22771e+00  0.00000e+00 0.00000e+00 3.19536e+01 117.963 3.33450e+01 297.963 0.8488 
1 1 1 18 3  40 o 18 9.49033e+01 7.92190e+00 1.12658e+02 322.460 1.18336e+01  -9.09350e+00 0.00000e+00 0.00000e+00 1.11375e+02 322.460 1.28392e+00 142.460 0.9659 
1 1 1 18 3  41 o 18 7.21683e+01 1.06313e+01 6.00993e+01 201.324 -5.33038e+00 -2.08081e+00 0.00000e+00 0.00000e+00 9.94616e+01 201.324 3.93623e+01 201.324 0.9078 
1 1 1 18 3  42 o 6  4.19360e+01 1.12929e+01 6.38381e+01 60.719  1.86028e+00  3.31757e+00  0.00000e+00 0.00000e+00 2.32274e+01 60.719  4.06106e+01 240.719 0.8555 
1 1 1 18 3  43 o 4  4.60999e+01 1.19208e+01 2.49223e+01 188.574 -1.55173e+00 -2.33955e-01 0.00000e+00 0.00000e+00 4.33827e+01 188.574 1.84604e+01 188.574 0.6128 
1 1 1 18 3  44 o 4  8.90437e+01 9.97529e+00 1.05196e+02 159.208 -1.44710e+01 5.49472e+00  0.00000e+00 0.00000e+00 1.02247e+02 159.208 2.94886e+00 339.208 0.9671 
1 1 1 18 3  45 o 5  1.06929e+02 8.04021e+00 1.36488e+02 252.129 -7.78803e+00 -2.41542e+01 0.00000e+00 0.00000e+00 1.14992e+02 252.129 2.14961e+01 72.129  0.9801 
1 1 1 18 3  46 o 14 7.04237e+01 9.84762e+00 8.98617e+01 187.380 -1.11095e+01 -1.43902e+00 0.00000e+00 0.00000e+00 7.07668e+01 187.380 1.90949e+01 7.380   0.9543 
1 1 1 18 3  47 o 9  5.12378e+01 1.09784e+01 7.93033e+01 299.117 3.54362e+00  -6.36224e+00 0.00000e+00 0.00000e+00 3.39608e+01 299.117 4.53425e+01 119.117 0.9286 
1 1 1 18 3  48 o 9  4.18195e+01 1.13498e+01 5.78804e+01 14.310  4.26922e+00  1.08902e+00  0.00000e+00 0.00000e+00 2.91234e+01 14.310  2.87570e+01 194.310 0.8775 
1 1 1 18 3  49 o 12 6.06845e+01 1.02117e+01 8.35386e+01 233.447 -6.15843e+00 -8.30642e+00 0.00000e+00 0.00000e+00 5.26223e+01 233.447 3.09163e+01 53.447  0.9503 
1 1 1 18 3  50 o 15 3.94692e+01 1.14305e+01 2.27707e+01 51.888  1.13752e+00  1.45008e+00  0.00000e+00 0.00000e+00 3.94199e+01 51.888  1.66491e+01 51.888  0.6702 
1 1 1 18 3  51 o 1  4.53747e+01 1.01223e+01 3.07407e+01 154.296 -2.80169e+00 1.34862e+00  0.00000e+00 0.00000e+00 5.61126e+01 154.296 2.53719e+01 154.296 0.8178 
1 1 1 18 3  52 f 0  5.32747e+01 1.51744e+01 6.77446e+01 1.668   6.46822e+00  1.88304e-01  0.00000e+00 0.00000e+00 4.63606e+01 1.668   2.13840e+01 181.668 0.9191 
1 1 1 18 4  0  f 0  1.69136e+02 9.17510e+00 1.98028e+01 180.000 -8.11540e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.77434e+02 180.000 2.57632e+02 180.000 0.6704 
1 1 1 18 4  1  o 19 2.05273e+02 6.09051e+00 2.57108e+02 111.081 -9.22513e+00 2.39314e+01  0.00000e+00 0.00000e+00 2.70345e+02 111.081 1.32364e+01 111.081 0.9803 
1 1 1 18 4  2  o 14 1.95614e+02 5.99633e+00 2.63571e+02 7.384   2.48394e+01  3.21883e+00  0.00000e+00 0.00000e+00 2.38753e+02 7.384   2.48177e+01 187.384 0.9798 
1 1 1 18 4  3  o 15 8.70986e+01 1.27938e+01 1.58499e+02 257.366 -1.35434e+00 -6.04231e+00 0.00000e+00 0.00000e+00 5.03768e+01 257.366 1.08123e+02 77.366  0.9152 
1 1 1 18 4  4  o 2  1.97843e+02 5.72256e+00 2.02298e+02 217.741 -1.53418e+01 -1.18752e+01 0.00000e+00 0.00000e+00 3.02403e+02 217.741 1.00104e+02 217.741 0.9739 
1 1 1 18 4  5  o 18 1.64480e+02 5.97329e+00 1.83760e+02 315.167 1.03378e+01  -1.02779e+01 0.00000e+00 0.00000e+00 2.31872e+02 315.167 4.81124e+01 315.167 0.9651 
1 1 1 18 4  6  o 11 1.15690e+02 7.51020e+00 1.53738e+02 189.473 -8.32020e+00 -1.38836e+00 0.00000e+00 0.00000e+00 1.30485e+02 189.473 2.32531e+01 9.473   0.9387 
1 1 1 18 4  7  o 1  9.00493e+01 1.08571e+01 8.77171e+01 159.195 -3.36588e+00 1.27892e+00  0.00000e+00 0.00000e+00 1.11598e+02 159.195 2.38811e+01 159.195 0.8462 
1 1 1 18 4  8  o 3  3.94109e+02 4.35029e+00 4.18184e+02 63.156  3.58504e+01  7.08354e+01  0.00000e+00 0.00000e+00 6.05518e+02 63.156  1.87333e+02 63.156  0.9937 
1 1 1 18 4  9  o 3  1.80528e+02 5.35256e+00 2.48478e+02 142.623 -1.69595e+01 1.29558e+01  0.00000e+00 0.00000e+00 2.11898e+02 142.623 3.65796e+01 322.623 0.9763 
1 1 1 18 4  10 o 1  1.05795e+02 8.06443e+00 1.64051e+02 205.794 -7.22083e+00 -3.48981e+00 0.00000e+00 0.00000e+00 9.42346e+01 205.794 6.98166e+01 25.794  0.9354 
1 1 1 18 4  11 o 7  2.30381e+02 4.75884e+00 2.39947e+02 40.274  2.02157e+01  1.71287e+01  0.00000e+00 0.00000e+00 3.49348e+02 40.274  1.09401e+02 40.274  0.9809 
1 1 1 18 4  12 o 10 2.36322e+02 4.67518e+00 2.82309e+02 188.057 -3.14106e+01 -4.44613e+00 0.00000e+00 0.00000e+00 3.23532e+02 188.057 4.12229e+01 188.057 0.9841 
1 1 1 18 4  13 o 5  3.07292e+02 4.80428e+00 3.63402e+02 333.431 4.70237e+01  -2.35160e+01 0.00000e+00 0.00000e+00 4.28595e+02 333.431 6.51926e+01 333.431 0.9904 
1 1 1 18 4  14 o 2  1.18344e+02 8.45468e+00 1.62688e+02 243.983 -4.31799e+00 -8.84671e+00 0.00000e+00 0.00000e+00 1.28840e+02 243.983 3.38481e+01 63.983  0.9478 
1 1 1 18 4  15 o 17 3.05185e+02 4.93433e+00 3.33723e+02 159.850 -4.99664e+01 1.83347e+01  0.00000e+00 0.00000e+00 4.51038e+02 159.850 1.17315e+02 159.850 0.9906 
1 1 1 18 4  16 o 8  1.87856e+02 5.80597e+00 2.30951e+02 29.191  2.25811e+01  1.26156e+01  0.00000e+00 0.00000e+00 2.46549e+02 29.191  1.55971e+01 29.191  0.9805 
1 1 1 18 4  17 o 1  1.99280e+02 5.35621e+00 2.54769e+02 138.670 -2.25683e+01 1.98475e+01  0.00000e+00 0.00000e+00 2.52466e+02 138.670 2.30256e+00 318.670 0.9832 
1 1 1 18 4  18 o 19 1.87205e+02 5.53695e+00 1.84988e+02 156.131 -1.73650e+01 7.68400e+00  0.00000e+00 0.00000e+00 2.85993e+02 156.131 1.01005e+02 156.131 0.9733 
1 1 1 18 4  19 o 13 1.79056e+02 5.62544e+00 2.54149e+02 63.389  1.10289e+01  2.20136e+01  0.00000e+00 0.00000e+00 1.98465e+02 63.389  5.56833e+01 243.389 0.9795 
1 1 1 18 4  20 o 1  8.86684e+01 9.94192e+00 1.08316e+02 188.676 -6.46925e+00 -9.87185e-01 0.00000e+00 0.00000e+00 1.01868e+02 188.676 6.44861e+00 8.676   0.9201 
1 1 1 18 4  21 o 4  1.61552e+02 5.98191e+00 2.46719e+02 356.312 2.83266e+01  -1.82570e+00 0.00000e+00 0.00000e+00 1.61385e+02 356.312 8.53340e+01 176.312 0.9822 
1 1 1 18 4  22 o 7  5.33534e+01 1.19424e+01 1.10105e+02 17.280  3.76283e+00  1.17058e+00  0.00000e+00 0.00000e+00 7.84751e+00 17.280  1.02258e+02 197.280 0.8612 
1 1 1 18 4  23 o 13 5.01556e+01 1.18142e+01 1.13842e+02 239.361 -1.97073e+00 -3.32713e+00 0.00000e+00 0.00000e+00 3.55899e+00 59.361  1.17401e+02 59.361  0.8582 
1 1 1 18 4  24 o 2  1.31066e+02 6.65277e+00 1.67284e+02 242.920 -7.26650e+00 -1.42122e+01 0.00000e+00 0.00000e+00 1.57169e+02 242.920 1.01150e+01 62.920  0.9682 
1 1 1 18 4  25 o 15 6.05456e+01 1.17580e+01 6.97442e+01 182.739 -2.85326e+00 -1.36506e-01 0.00000e+00 0.00000e+00 5.36558e+01 182.739 1.60884e+01 2.739   0.7988 
1 1 1 18 4  26 f 0  3.10785e+02 4.24358e+00 2.16510e+02 84.143  5.64678e+00  5.50443e+01  0.00000e+00 0.00000e+00 5.67541e+02 84.143  3.51031e+02 84.143  0.9909 
1 1 1 18 4  27 o 18 1.33334e+02 6.10310e+00 1.37924e+02 206.374 -1.27536e+01 -6.32375e+00 0.00000e+00 0.00000e+00 1.88636e+02 206.374 5.07117e+01 206.374 0.9642 
1 1 1 18 4  28 o 15 2.79365e+01 9.30804e+00 3.71198e+01 224.081 -5.41604e-01 -5.24508e-01 0.00000e+00 0.00000e+00 1.21649e+01 44.081  4.92847e+01 44.081  0.3525 
1 1 1 18 4  29 o 10 4.41247e+01 1.16875e+01 2.19727e+01 17.937  7.87424e-01  2.54899e-01  0.00000e+00 0.00000e+00 2.06372e+01 17.937  1.33545e+00 197.937 0.3820 
1 1 1 18 4  30 o 10 2.23201e+02 4.55997e+00 2.44586e+02 318.649 3.53835e+01  -3.11413e+01 0.00000e+00 0.00000e+00 3.12197e+02 318.649 6.76108e+01 318.649 0.9893 
1 1 1 18 4  31 o 6  4.80702e+01 1.19163e+01 1.10543e+02 358.417 4.90167e+00  -1.35467e-01 0.00000e+00 0.00000e+00 2.82084e+00 178.417 1.13364e+02 178.417 0.8911 
1 1 1 18 4  32 o 18 9.83609e+01 7.65922e+00 5.47948e+01 358.161 5.66796e+00  -1.82027e-01 0.00000e+00 0.00000e+00 1.68931e+02 358.161 1.14137e+02 358.161 0.9069 
1 1 1 18 4  33 o 9  1.11675e+02 6.90991e+00 1.32488e+02 186.259 -1.49036e+01 -1.63457e+00 0.00000e+00 0.00000e+00 1.37325e+02 186.259 4.83631e+00 186.259 0.9661 
1 1 1 18 4  34 o 3  1.14860e+02 7.21731e+00 1.66935e+02 185.713 -2.24789e+01 -2.24903e+00 0.00000e+00 0.00000e+00 1.13083e+02 185.713 5.38523e+01 5.713   0.9776 
1 1 1 18 4  35 o 19 7.28490e+01 1.10251e+01 9.25797e+01 111.288 -2.75926e+00 7.08142e+00  0.00000e+00 0.00000e+00 7.61718e+01 111.288 1.64079e+01 291.288 0.9317 
1 1 1 18 4  37 o 11 8.82719e+01 8.72630e+00 9.75103e+01 293.851 4.67018e+00  -1.05631e+01 0.00000e+00 0.00000e+00 1.10936e+02 293.851 1.34258e+01 293.851 0.9557 
1 1 1 18 4  38 o 9  1.20718e+02 6.45322e+00 1.26875e+02 302.976 1.20324e+01  -1.85451e+01 0.00000e+00 0.00000e+00 1.63642e+02 302.976 3.67670e+01 302.976 0.9771 
1 1 1 18 4  39 o 14 1.28639e+02 6.14869e+00 1.27829e+02 156.265 -2.06746e+01 9.09056e+00  0.00000e+00 0.00000e+00 1.80879e+02 156.265 5.30498e+01 156.265 0.9776 
1 1 1 18 4  40 o 3  4.13941e+01 1.12400e+01 2.04343e+01 156.832 -1.01318e+00 4.33571e-01  0.00000e+00 0.00000e+00 2.83143e+01 156.832 7.88000e+00 156.832 0.4814 
1 1 1 18 4  41 o 16 4.76722e+01 1.19546e+01 5.20613e+01 111.226 -1.25375e+00 3.22793e+00  0.00000e+00 0.00000e+00 4.54636e+01 111.226 6.59776e+00 291.226 0.8391 
1 1 1 18 4  42 o 9  9.68428e+01 8.17171e+00 1.29918e+02 87.360  9.25669e-01  2.00767e+01  0.00000e+00 0.00000e+00 9.94023e+01 87.360  3.05156e+01 267.360 0.9748 
1 1 1 18 4  43 o 8  3.99625e+01 1.11570e+01 7.96339e+00 347.006 4.33245e-01  -9.99762e-02 0.00000e+00 0.00000e+00 1.30247e+01 347.006 5.06136e+00 347.006 0.2170 
1 1 1 18 4  44 o 10 4.51711e+01 1.22105e+01 3.23940e+01 205.190 -1.97425e+00 -9.28596e-01 0.00000e+00 0.00000e+00 4.66227e+01 205.190 1.42287e+01 205.190 0.7255 
1 1 1 18 4  45 o 9  5.58950e+01 1.19162e+01 7.56584e+01 295.411 2.72682e+00  -5.73971e+00 0.00000e+00 0.00000e+00 4.75297e+01 295.411 2.81286e+01 115.411 0.9175 
1 1 1 18 4  46 o 15 7.94010e+01 1.12072e+01 5.30742e+01 161.707 -6.63813e+00 2.19443e+00  0.00000e+00 0.00000e+00 1.22734e+02 161.707 6.96599e+01 161.707 0.9254 
1 1 1 18 4  47 o 4  5.10905e+01 1.19675e+01 5.10180e+01 211.667 -3.94918e+00 -2.43597e+00 0.00000e+00 0.00000e+00 5.66452e+01 211.667 5.62723e+00 211.667 0.8843 
1 1 1 18 4  48 o 4  3.75428e+01 1.11102e+01 1.45558e+01 137.289 -7.87277e-01 7.26753e-01  0.00000e+00 0.00000e+00 2.74213e+01 137.289 1.28655e+01 137.289 0.4711 
1 1 1 18 4  49 o 4  6.04610e+01 1.20944e+01 6.09944e+01 232.073 -4.51485e+00 -5.79402e+00 0.00000e+00 0.00000e+00 7.17790e+01 232.073 1.07846e+01 232.073 0.9292 
1 1 1 18 4  50 o 4  7.50963e+01 1.27364e+01 1.14357e+02 51.171  1.05720e+01  1.31353e+01  0.00000e+00 0.00000e+00 5.70419e+01 51.171  5.73153e+01 231.171 0.9699 
1 1 1 18 4  51 o 18 6.33329e+01 1.02112e+01 4.73507e+01 9.224   6.53239e+00  1.06080e+00  0.00000e+00 0.00000e+00 8.93184e+01 9.224   4.19677e+01 9.224   0.9210 
1 1 1 18 5  0  o 7  1.17499e+02 1.23078e+01 2.61177e+02 180.000 -7.17307e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.72109e+01 180.000 2.13967e+02 0.000   1.0000 
1 1 1 18 5  1  o 4  9.72892e+01 9.84655e+00 2.47280e+02 279.381 1.80891e+00  -1.09497e+01 0.00000e+00 0.00000e+00 3.73548e+00 99.381  2.51016e+02 99.381  0.9538 
1 1 1 18 5  2  o 11 1.40116e+02 6.70107e+00 2.36228e+02 257.716 -3.35058e+00 -1.53879e+01 0.00000e+00 0.00000e+00 1.19585e+02 257.716 1.16642e+02 77.716  0.9677 
1 1 1 18 5  3  o 4  1.99595e+02 5.03343e+00 2.06119e+02 92.182  -7.53199e-01 1.97654e+01  0.00000e+00 0.00000e+00 3.04121e+02 92.182  9.80017e+01 92.182  0.9744 
1 1 1 18 5  4  o 19 1.70991e+02 5.25556e+00 1.97523e+02 257.234 -3.57362e+00 -1.57733e+01 0.00000e+00 0.00000e+00 2.36857e+02 257.234 3.93336e+01 257.234 0.9686 
1 1 1 18 5  5  o 18 6.99922e+01 1.13406e+01 9.14602e+01 164.708 -2.77187e+00 7.57901e-01  0.00000e+00 0.00000e+00 5.53777e+01 164.708 3.60825e+01 344.708 0.8002 
1 1 1 18 5  6  o 2  2.53042e+02 4.65329e+00 2.57153e+02 213.744 -2.58148e+01 -1.72452e+01 0.00000e+00 0.00000e+00 3.95182e+02 213.744 1.38029e+02 213.744 0.9838 
1 1 1 18 5  7  o 12 9.94401e+01 8.38194e+00 1.02772e+01 32.364  3.97843e-01  2.52130e-01  0.00000e+00 0.00000e+00 4.94173e+01 32.364  3.91401e+01 32.364  0.2292 
1 1 1 18 5  8  o 8  1.65449e+02 5.65709e+00 1.07146e+02 350.007 8.34305e+00  -1.47007e+00 0.00000e+00 0.00000e+00 2.99470e+02 350.007 1.92324e+02 350.007 0.9390 
1 1 1 18 5  9  o 8  1.17545e+02 7.30620e+00 1.31572e+02 319.781 5.53494e+00  -4.68056e+00 0.00000e+00 0.00000e+00 1.53790e+02 319.781 2.22177e+01 319.781 0.9282 
1 1 1 18 5  10 o 9  2.03400e+02 5.61182e+00 2.78521e+02 355.866 2.66578e+01  -1.92652e+00 0.00000e+00 0.00000e+00 2.42985e+02 355.866 3.55363e+01 175.866 0.9811 
1 1 1 18 5  11 o 10 1.05813e+02 9.22488e+00 1.67312e+02 309.326 5.08640e+00  -6.20851e+00 0.00000e+00 0.00000e+00 9.11285e+01 309.326 7.61831e+01 129.326 0.9355 
1 1 1 18 5  12 o 3  1.64298e+02 6.54101e+00 1.68685e+02 295.480 6.22166e+00  -1.30557e+01 0.00000e+00 0.00000e+00 2.44770e+02 295.480 7.60846e+01 295.480 0.9648 
1 1 1 18 5  13 o 11 6.76606e+01 1.29808e+01 4.53567e+01 167.776 -1.43065e+00 3.09953e-01  0.00000e+00 0.00000e+00 5.81385e+01 167.776 1.27819e+01 167.776 0.5871 
1 1 1 18 5  14 o 9  2.00655e+02 5.86682e+00 3.00179e+02 183.102 -3.59765e+01 -1.94988e+00 0.00000e+00 0.00000e+00 2.14730e+02 183.102 8.54494e+01 3.102   0.9860 
1 1 1 18 5  15 o 2  1.53571e+02 6.39837e+00 1.62953e+02 98.331  -2.13734e+00 1.45959e+01  0.00000e+00 0.00000e+00 2.22440e+02 98.331  5.94867e+01 98.331  0.9655 
1 1 1 18 5  16 o 15 1.83976e+02 5.62642e+00 2.24096e+02 133.154 -1.65706e+01 1.76740e+01  0.00000e+00 0.00000e+00 2.43502e+02 133.154 1.94068e+01 133.154 0.9791 
1 1 1 18 5  17 o 3  6.30739e+01 1.17598e+01 2.59109e+01 245.190 -3.47796e-01 -7.52366e-01 0.00000e+00 0.00000e+00 3.66231e+01 245.190 1.07122e+01 245.190 0.3825 
1 1 1 18 5  18 o 16 1.11163e+02 7.40556e+00 1.36075e+02 102.201 -2.28532e+00 1.05688e+01  0.00000e+00 0.00000e+00 1.37989e+02 102.201 1.91363e+00 102.201 0.9526 
1 1 1 18 5  19 o 18 1.48078e+02 5.98262e+00 1.02514e+02 131.093 -7.17703e+00 8.22930e+00  0.00000e+00 0.00000e+00 2.62160e+02 131.093 1.59646e+02 131.093 0.9530 
1 1 1 18 5  20 o 10 5.20524e+01 1.17744e+01 1.41367e+02 265.547 -3.88379e-01 -4.98700e+00 0.00000e+00 0.00000e+00 2.13974e+01 85.547  1.62765e+02 85.547  0.8934 
1 1 1 18 5  21 o 17 6.63165e+01 1.15095e+01 1.57251e+02 178.824 -7.04416e+00 1.44584e-01  0.00000e+00 0.00000e+00 8.93395e-01 178.824 1.56357e+02 358.824 0.9260 
1 1 1 18 5  22 o 12 1.70741e+02 5.27079e+00 2.33342e+02 176.956 -2.98167e+01 1.58547e+00  0.00000e+00 0.00000e+00 1.98113e+02 176.956 3.52292e+01 356.956 0.9831 
1 1 1 18 5  23 o 2  2.87142e+02 4.43004e+00 2.78401e+02 255.471 -1.53384e+01 -5.91854e+01 0.00000e+00 0.00000e+00 4.52180e+02 255.471 1.73779e+02 255.471 0.9918 
1 1 1 18 5  24 o 2  1.79053e+02 5.19179e+00 1.84235e+02 83.810  2.66338e+00  2.45561e+01  0.00000e+00 0.00000e+00 2.64797e+02 83.810  8.05624e+01 83.810  0.9795 
1 1 1 18 5  25 o 12 1.09210e+02 7.74172e+00 1.26593e+02 102.355 -2.33259e+00 1.06491e+01  0.00000e+00 0.00000e+00 1.39293e+02 102.355 1.26997e+01 102.355 0.9530 
1 1 1 18 5  26 o 14 9.80679e+01 8.28000e+00 8.21437e+01 236.018 -3.38646e+00 -5.02411e+00 0.00000e+00 0.00000e+00 1.46165e+02 236.018 6.40216e+01 236.018 0.9133 
1 1 1 18 5  27 o 6  1.33377e+02 6.23941e+00 1.52046e+02 127.938 -1.21111e+01 1.55362e+01  0.00000e+00 0.00000e+00 1.78454e+02 127.938 2.64085e+01 127.938 0.9743 
1 1 1 18 5  28 o 2  5.47998e+01 1.17912e+01 9.28937e+01 153.026 -3.87094e+00 1.97014e+00  0.00000e+00 0.00000e+00 2.88461e+01 153.026 6.40476e+01 333.026 0.8755 
1 1 1 18 5  29 o 6  7.25870e+01 1.02264e+01 6.37509e+01 293.436 1.46056e+00  -3.36941e+00 0.00000e+00 0.00000e+00 9.23460e+01 293.436 2.85950e+01 293.436 0.8496 
1 1 1 18 5  30 o 5  1.00192e+02 7.70550e+00 1.01400e+02 138.663 -7.81421e+00 6.87390e+00  0.00000e+00 0.00000e+00 1.39074e+02 138.663 3.76739e+01 138.663 0.9507 
1 1 1 18 5  31 o 12 7.04799e+01 1.07570e+01 8.27847e+01 341.289 5.42724e+00  -1.83813e+00 0.00000e+00 0.00000e+00 7.83494e+01 341.289 4.43530e+00 161.289 0.9079 
1 1 1 18 5  32 o 7  2.98653e+01 9.77452e+00 3.41087e+01 303.800 5.43811e-01  -8.12342e-01 0.00000e+00 0.00000e+00 1.23102e+00 123.800 3.53397e+01 123.800 0.4384 
1 1 1 18 5  33 o 18 7.46040e+01 1.00373e+01 7.40436e+01 85.813  4.45527e-01  6.08537e+00  0.00000e+00 0.00000e+00 9.66936e+01 85.813  2.26500e+01 85.813  0.9139 
1 1 1 18 5  34 o 15 1.33163e+02 6.13805e+00 1.53646e+02 336.509 2.40997e+01  -1.04741e+01 0.00000e+00 0.00000e+00 1.72463e+02 336.509 1.88168e+01 336.509 0.9808 
1 1 1 18 5  36 o 18 5.83794e+01 1.20078e+01 9.95624e+01 125.649 -4.10475e+00 5.72309e+00  0.00000e+00 0.00000e+00 3.46088e+01 125.649 6.49536e+01 305.649 0.9260 
1 1 1 18 5  37 o 18 1.24241e+02 6.70052e+00 1.61218e+02 230.401 -1.84485e+01 -2.23015e+01 0.00000e+00 0.00000e+00 1.40809e+02 230.401 2.04089e+01 50.401  0.9826 
1 1 1 18 5  38 o 10 2.50610e+02 4.90320e+00 2.72776e+02 64.406  4.18510e+01  8.73726e+01  0.00000e+00 0.00000e+00 3.42056e+02 64.406  6.92803e+01 64.406  0.9948 
1 1 1 18 5  39 o 6  9.22409e+01 1.05079e+01 7.26994e+01 231.047 -5.43726e+00 -6.72565e+00 0.00000e+00 0.00000e+00 1.40481e+02 231.047 6.77818e+01 231.047 0.9403 
1 1 1 18 5  40 o 6  6.01225e+01 1.09098e+01 9.86953e+01 300.406 3.92191e+00  -6.68306e+00 0.00000e+00 0.00000e+00 3.87183e+01 300.406 5.99770e+01 120.406 0.9330 
1 1 1 18 5  41 o 2  1.21406e+02 6.84769e+00 1.61898e+02 20.007  3.09446e+01  1.12674e+01  0.00000e+00 0.00000e+00 1.29921e+02 20.007  3.19770e+01 200.007 0.9847 
1 1 1 18 5  42 o 3  1.01023e+02 7.43110e+00 1.16670e+02 236.243 -1.04535e+01 -1.56408e+01 0.00000e+00 0.00000e+00 1.22426e+02 236.243 5.75616e+00 236.243 0.9730 
1 1 1 18 5  43 f 0  6.44621e+01 1.09093e+01 3.73117e+01 256.322 -9.05147e-01 -3.71920e+00 0.00000e+00 0.00000e+00 9.64972e+01 256.322 5.91855e+01 256.322 0.8566 
1 1 1 18 5  44 o 11 5.95724e+01 9.99946e+00 4.68647e+01 247.987 -1.69663e+00 -4.19646e+00 0.00000e+00 0.00000e+00 7.98616e+01 247.987 3.29969e+01 247.987 0.8811 
1 1 1 18 5  45 o 16 6.49330e+01 1.10855e+01 7.59577e+01 64.662  3.54598e+00  7.48884e+00  0.00000e+00 0.00000e+00 7.04592e+01 64.662  5.49848e+00 244.662 0.9376 
1 1 1 18 5  46 o 3  8.99948e+01 1.16074e+01 7.87359e+01 212.246 -1.04361e+01 -6.58364e+00 0.00000e+00 0.00000e+00 1.27930e+02 212.246 4.91942e+01 212.246 0.9586 
1 1 1 18 5  47 o 11 3.23755e+01 1.07524e+01 3.84566e+01 119.772 -1.24345e+00 2.17369e+00  0.00000e+00 0.00000e+00 2.06744e+01 119.772 1.77822e+01 299.772 0.7655 
1 1 1 18 5  48 f 0  4.52308e+01 1.27066e+01 4.48950e+01 138.677 -2.73694e+00 2.40642e+00  0.00000e+00 0.00000e+00 4.62823e+01 138.677 1.38728e+00 138.677 0.8483 
1 1 1 18 5  49 o 13 8.81940e+01 8.46968e+00 9.65410e+01 261.814 -2.90637e+00 -2.02030e+01 0.00000e+00 0.00000e+00 1.06980e+02 261.814 1.04395e+01 261.814 0.9752 
1 1 1 18 5  50 o 12 9.33616e+01 8.43049e+00 9.98478e+01 21.578  2.11176e+01  8.35168e+00  0.00000e+00 0.00000e+00 1.15240e+02 21.578  1.53918e+01 21.578  0.9777 
1 1 1 18 5  51 o 17 4.03302e+01 1.92828e+01 3.52550e+01 349.074 1.92885e+00  -3.72327e-01 0.00000e+00 0.00000e+00 3.02055e+01 349.074 5.04950e+00 169.075 0.6919 
1 1 1 18 6  0  o 9  1.86964e+01 1.35358e+01 1.14975e+02 180.000 -4.95759e-01 0.00000e+00  0.00000e+00 0.00000e+00 9.24271e+01 0.000   2.07402e+02 0.000   0.4588 
1 1 1 18 6  1  o 16 2.06379e+02 4.98726e+00 2.30216e+02 324.256 1.85300e+01  -1.33370e+01 0.00000e+00 0.00000e+00 3.00254e+02 324.256 7.00382e+01 324.256 0.9778 
1 1 1 18 6  2  o 12 8.16140e+01 1.03801e+01 1.63692e+02 172.467 -6.04139e+00 7.98903e-01  0.00000e+00 0.00000e+00 3.23194e+01 172.467 1.31373e+02 352.467 0.9138 
1 1 1 18 6  3  o 14 8.11435e+01 1.06649e+01 2.69585e+01 197.652 -9.45812e-01 -3.00966e-01 0.00000e+00 0.00000e+00 6.76561e+01 197.652 4.06976e+01 197.652 0.4437 
1 1 1 18 6  4  o 12 1.11746e+02 7.99423e+00 1.28426e+02 108.942 -2.17296e+00 6.33165e+00  0.00000e+00 0.00000e+00 1.42208e+02 108.942 1.37821e+01 108.942 0.9219 
1 1 1 18 6  5  o 7  1.91886e+02 6.28181e+00 1.76496e+02 59.102  8.20868e+00  1.37170e+01  0.00000e+00 0.00000e+00 3.11349e+02 59.102  1.34853e+02 59.102  0.9682 
1 1 1 18 6  6  o 2  3.89931e+02 4.59658e+00 4.89414e+02 283.397 2.10254e+01  -8.82763e+01 0.00000e+00 0.00000e+00 5.28357e+02 283.397 3.89435e+01 283.397 0.9945 
1 1 1 18 6  7  o 9  5.85717e+01 1.29895e+01 2.04426e+01 317.069 4.25886e-01  -3.96180e-01 0.00000e+00 0.00000e+00 2.24530e+01 317.069 2.01048e+00 317.069 0.2792 
1 1 1 18 6  8  o 1  7.67879e+01 1.11117e+01 6.57639e+01 206.861 -2.24267e+00 -1.13584e+00 0.00000e+00 0.00000e+00 8.85302e+01 206.861 2.27663e+01 206.861 0.7665 
1 1 1 18 6  9  o 5  1.48061e+02 6.81497e+00 1.53443e+02 289.299 3.91301e+00  -1.11745e+01 0.00000e+00 0.00000e+00 2.17650e+02 289.299 6.42073e+01 289.299 0.9568 
1 1 1 18 6  10 o 16 2.18776e+02 5.33302e+00 3.13076e+02 54.685  2.07554e+01  2.92974e+01  0.00000e+00 0.00000e+00 2.51516e+02 54.685  6.15594e+01 234.685 0.9860 
1 1 1 18 6  11 o 7  1.13878e+02 8.06196e+00 9.77457e+01 246.225 -2.63509e+00 -5.98161e+00 0.00000e+00 0.00000e+00 1.76212e+02 246.225 7.84663e+01 246.225 0.9200 
1 1 1 18 6  12 o 2  2.64608e+02 4.93270e+00 2.41778e+02 240.431 -1.89890e+01 -3.34689e+01 0.00000e+00 0.00000e+00 4.40452e+02 240.431 1.98674e+02 240.431 0.9869 
1 1 1 18 6  13 o 7  1.22789e+02 6.72061e+00 1.33527e+02 148.299 -8.18780e+00 5.05710e+00  0.00000e+00 0.00000e+00 1.69771e+02 148.299 3.62449e+01 148.299 0.9465 
1 1 1 18 6  14 f 0  3.65468e+01 1.09326e+01 6.00741e+01 79.928  1.99239e-01  1.12174e+00  0.00000e+00 0.00000e+00 1.30552e+01 259.928 7.31293e+01 259.928 0.4936 
1 1 1 18 6  15 o 9  2.56767e+02 4.42057e+00 2.89929e+02 117.454 -1.89115e+01 3.63995e+01  0.00000e+00 0.00000e+00 3.70318e+02 117.454 8.03887e+01 117.454 0.9877 
1 1 1 18 6  16 o 7  9.61375e+01 8.01254e+00 1.57792e+02 182.579 -1.07698e+01 -4.85134e-01 0.00000e+00 0.00000e+00 8.02603e+01 182.579 7.75315e+01 2.579   0.9524 
1 1 1 18 6  17 o 4  1.62280e+02 5.33669e+00 1.86815e+02 113.971 -8.95839e+00 2.01487e+01  0.00000e+00 0.00000e+00 2.24822e+02 113.971 3.80071e+01 113.971 0.9771 
1 1 1 18 6  18 o 14 8.08350e+01 9.25103e+00 1.88230e+02 264.457 -1.05310e+00 -1.08510e+01 0.00000e+00 0.00000e+00 1.14578e+01 264.457 1.76772e+02 84.457  0.9530 
1 1 1 18 6  19 o 7  1.00242e+02 7.78204e+00 1.71184e+02 283.313 2.86613e+00  -1.21124e+01 0.00000e+00 0.00000e+00 7.76007e+01 283.313 9.35828e+01 103.313 0.9589 
1 1 1 18 6  20 o 14 1.88322e+02 5.26231e+00 1.80137e+02 4.539   2.55487e+01  2.02815e+00  0.00000e+00 0.00000e+00 2.96848e+02 4.539   1.16711e+02 4.539   0.9803 
1 1 1 18 6  21 o 7  1.04850e+02 7.76322e+00 1.86016e+02 326.378 1.17498e+01  -7.81304e+00 0.00000e+00 0.00000e+00 7.46445e+01 326.378 1.11372e+02 146.378 0.9639 
1 1 1 18 6  22 o 8  1.85311e+02 5.17011e+00 1.48446e+02 253.603 -5.87566e+00 -1.99681e+01 0.00000e+00 0.00000e+00 3.17014e+02 253.603 1.68568e+02 253.603 0.9757 
1 1 1 18 6  23 o 13 3.54684e+01 1.09325e+01 4.77875e+01 204.763 -1.15635e+00 -5.33404e-01 0.00000e+00 0.00000e+00 9.63343e-01 204.763 4.68241e+01 24.763  0.5349 
1 1 1 18 6  24 o 17 5.70303e+01 1.20317e+01 7.00602e+01 156.871 -2.66207e+00 1.13706e+00  0.00000e+00 0.00000e+00 4.72062e+01 156.871 2.28540e+01 336.871 0.8019 
1 1 1 18 6  25 o 17 2.98608e+01 9.75023e+00 4.00806e+01 241.439 -4.18835e-01 -7.69452e-01 0.00000e+00 0.00000e+00 9.45981e+00 61.439  4.95404e+01 61.439  0.4008 
1 1 1 18 6  26 o 13 1.59960e+02 5.98817e+00 1.93804e+02 131.800 -2.01265e+01 2.25104e+01  0.00000e+00 0.00000e+00 2.07780e+02 131.800 1.39756e+01 131.800 0.9833 
1 1 1 18 6  27 o 19 7.26602e+01 1.03247e+01 1.31704e+02 3.908   7.66730e+00  5.23822e-01  0.00000e+00 0.00000e+00 4.08860e+01 3.908   9.08183e+01 183.908 0.9325 
1 1 1 18 6  28 o 10 5.37457e+01 1.17812e+01 2.98105e+01 173.778 -1.22148e+00 1.33162e-01  0.00000e+00 0.00000e+00 4.14296e+01 173.778 1.16190e+01 173.778 0.5216 
1 1 1 18 6  29 o 3  5.03461e+01 1.19197e+01 1.05563e+02 51.928  3.03306e+00  3.87216e+00  0.00000e+00 0.00000e+00 8.21407e+00 51.928  9.73493e+01 231.928 0.8915 
1 1 1 18 6  30 o 19 1.43225e+02 5.73744e+00 1.55554e+02 118.978 -1.18227e+01 2.13481e+01  0.00000e+00 0.00000e+00 1.99108e+02 118.978 4.35546e+01 118.978 0.9793 
1 1 1 18 6  31 o 6  1.17943e+02 6.67162e+00 1.54550e+02 90.291  -9.48157e-02 1.86688e+01  0.00000e+00 0.00000e+00 1.34819e+02 90.291  1.97313e+01 270.291 0.9728 
1 1 1 18 6  32 o 14 7.37283e+01 1.00586e+01 8.14160e+01 117.388 -3.05338e+00 5.89360e+00  0.00000e+00 0.00000e+00 8.94165e+01 117.388 8.00050e+00 117.388 0.9212 
1 1 1 18 6  33 o 18 3.00222e+01 9.90522e+00 9.02133e+01 46.048  2.20561e+00  2.28784e+00  0.00000e+00 0.00000e+00 2.82939e+01 226.048 1.18507e+02 226.048 0.8223 
1 1 1 18 6  35 o 13 3.50425e+01 1.03145e+01 2.22940e+01 259.164 -1.89218e-01 -9.88520e-01 0.00000e+00 0.00000e+00 1.69093e+01 259.164 5.38466e+00 79.164  0.4487 
1 1 1 18 6  36 o 1  7.48977e+01 9.70267e+00 6.46962e+01 344.370 6.21816e+00  -1.73960e+00 0.00000e+00 0.00000e+00 1.06388e+02 344.370 4.16919e+01 344.370 0.9189 
1 1 1 18 6  37 o 3  9.70488e+01 7.63733e+00 1.53864e+02 14.194  1.94406e+01  4.91697e+00  0.00000e+00 0.00000e+00 8.05444e+01 14.194  7.33201e+01 194.194 0.9747 
1 1 1 18 6  38 o 17 6.33445e+01 1.13609e+01 1.02198e+02 116.006 -3.56880e+00 7.31530e+00  0.00000e+00 0.00000e+00 4.43088e+01 116.006 5.78887e+01 296.006 0.9364 
1 1 1 18 6  39 f 0  1.11020e+02 8.58690e+00 1.61304e+02 283.134 5.75715e+00  -2.46730e+01 0.00000e+00 0.00000e+00 1.06552e+02 283.134 5.47528e+01 103.134 0.9801 
1 1 1 18 6  40 o 11 4.88704e+01 1.17113e+01 8.55981e+01 350.086 5.85174e+00  -1.02274e+00 0.00000e+00 0.00000e+00 2.36804e+01 350.086 6.19177e+01 170.086 0.9114 
1 1 1 18 6  41 o 15 7.11438e+01 1.11285e+01 9.46484e+01 210.139 -8.24042e+00 -4.78423e+00 0.00000e+00 0.00000e+00 6.98900e+01 210.139 2.47584e+01 30.139  0.9460 
1 1 1 18 6  42 o 1  9.96800e+01 7.49525e+00 1.14645e+02 277.748 2.80709e+00  -2.06310e+01 0.00000e+00 0.00000e+00 1.22281e+02 277.748 7.63569e+00 277.748 0.9757 
1 1 1 18 6  43 o 12 5.53113e+01 1.16757e+01 2.88632e+01 103.050 -5.48262e-01 2.36542e+00  0.00000e+00 0.00000e+00 7.27577e+01 103.050 4.38945e+01 103.050 0.7569 
1 1 1 18 6  44 o 11 1.11096e+02 7.01662e+00 1.14470e+02 175.733 -2.52029e+01 1.88049e+00  0.00000e+00 0.00000e+00 1.48802e+02 175.733 3.43315e+01 175.733 0.9800 
1 1 1 18 6  45 o 2  6.81680e+01 1.06632e+01 5.48372e+01 44.782  4.85852e+00  4.82161e+00  0.00000e+00 0.00000e+00 9.68487e+01 44.782  4.20116e+01 44.782  0.9238 
1 1 1 18 6  46 o 11 3.37161e+01 1.03669e+01 1.50868e+01 300.642 4.98403e-01  -8.41341e-01 0.00000e+00 0.00000e+00 2.03869e+01 300.642 5.30011e+00 300.642 0.4385 
1 1 1 18 6  47 o 19 6.11607e+01 1.15893e+01 8.40059e+01 292.251 3.72485e+00  -9.10437e+00 0.00000e+00 0.00000e+00 5.45139e+01 292.251 2.94920e+01 112.251 0.9477 
1 1 1 18 6  48 o 2  3.48260e+01 1.07757e+01 5.47666e+01 341.379 3.86945e+00  -1.30377e+00 0.00000e+00 0.00000e+00 1.70665e+01 341.379 3.77001e+01 161.379 0.8666 
1 1 1 18 6  49 o 19 7.52123e+01 1.18976e+01 1.15026e+02 143.912 -1.43927e+01 1.04909e+01  0.00000e+00 0.00000e+00 5.81539e+01 143.912 5.68720e+01 323.912 0.9715 
1 1 1 18 6  50 o 6  5.24317e+01 1.19387e+01 8.88442e+01 312.405 6.93891e+00  -7.59778e+00 0.00000e+00 0.00000e+00 2.87174e+01 312.405 6.01269e+01 132.405 0.9501 
1 1 1 18 7  0  o 8  4.15313e+01 2.25784e+01 7.42862e+01 180.000 -7.05534e-01 0.00000e+00  0.00000e+00 0.00000e+00 7.79991e+00 0.000   8.20861e+01 0.000   0.6079 
1 1 1 18 7  1  o 14 1.82453e+02 5.70160e+00 2.27283e+02 258.283 -4.44582e+00 -2.14357e+01 0.00000e+00 0.00000e+00 2.42094e+02 258.283 1.48110e+01 258.283 0.9769 
1 1 1 18 7  2  o 5  2.81955e+02 4.95382e+00 4.28664e+02 109.313 -2.11977e+01 6.04885e+01  0.00000e+00 0.00000e+00 3.07944e+02 109.313 1.20720e+02 289.313 0.9922 
1 1 1 18 7  3  o 9  1.62445e+02 6.41579e+00 2.99236e+02 11.821  2.48996e+01  5.21119e+00  0.00000e+00 0.00000e+00 1.19918e+02 11.821  1.79318e+02 191.821 0.9801 
1 1 1 18 7  4  o 16 1.39165e+02 7.52463e+00 1.35760e+02 44.269  6.98903e+00  6.81299e+00  0.00000e+00 0.00000e+00 2.11187e+02 44.269  7.54276e+01 44.269  0.9473 
1 1 1 18 7  5  o 10 2.07467e+02 8.57677e+00 2.41443e+02 30.715  2.19290e+01  1.30282e+01  0.00000e+00 0.00000e+00 2.93540e+02 30.715  5.20973e+01 30.715  0.9802 
1 1 1 18 7  6  o 16 1.09899e+02 9.46890e+00 1.35343e+02 130.999 -5.64931e+00 6.49913e+00  0.00000e+00 0.00000e+00 1.36298e+02 130.999 9.55025e-01 130.999 0.9400 
1 1 1 18 7  7  o 1  2.30084e+02 6.21679e+00 2.50068e+02 79.417  6.33731e+00  3.39203e+01  0.00000e+00 0.00000e+00 3.45770e+02 79.417  9.57020e+01 79.417  0.9854 
1 1 1 18 7  8  o 12 1.26524e+02 7.27900e+00 1.61101e+02 140.480 -9.27926e+00 7.65464e+00  0.00000e+00 0.00000e+00 1.57064e+02 140.480 4.03703e+00 320.480 0.9575 
1 1 1 18 7  9  o 5  1.07534e+02 8.29141e+00 1.99552e+02 121.548 -6.51029e+00 1.06038e+01  0.00000e+00 0.00000e+00 7.10707e+01 121.548 1.28481e+02 301.548 0.9589 
1 1 1 18 7  10 o 1  4.01127e+01 1.17732e+01 1.17188e+02 43.721  1.75400e+00  1.67740e+00  0.00000e+00 0.00000e+00 3.75822e+01 223.721 1.54770e+02 223.721 0.7568 
1 1 1 18 7  11 o 15 1.29412e+02 6.97372e+00 1.68418e+02 159.796 -1.11659e+01 4.10902e+00  0.00000e+00 0.00000e+00 1.56047e+02 159.796 1.23716e+01 339.796 0.9570 
1 1 1 18 7  12 o 5  1.40187e+02 6.24718e+00 1.59497e+02 41.825  9.08736e+00  8.13220e+00  0.00000e+00 0.00000e+00 1.92028e+02 41.825  3.25308e+01 41.825  0.9581 
1 1 1 18 7  13 o 16 1.08951e+02 7.09192e+00 9.65824e+01 337.407 7.03225e+00  -2.92621e+00 0.00000e+00 0.00000e+00 1.68848e+02 337.407 7.22655e+01 337.407 0.9318 
1 1 1 18 7  14 o 15 3.07256e+01 9.91065e+00 8.64211e+01 39.896  1.39957e+00  1.17005e+00  0.00000e+00 0.00000e+00 3.29278e+01 219.896 1.19349e+02 219.896 0.6667 
1 1 1 18 7  15 o 9  2.14181e+02 4.58803e+00 2.16708e+02 213.293 -2.83750e+01 -1.86343e+01 0.00000e+00 0.00000e+00 3.33615e+02 213.293 1.16907e+02 213.293 0.9852 
1 1 1 18 7  16 o 7  1.34829e+02 6.02577e+00 2.33499e+02 278.675 3.56422e+00  -2.33598e+01 0.00000e+00 0.00000e+00 1.10171e+02 278.675 1.23328e+02 98.675  0.9786 
1 1 1 18 7  17 o 12 6.62699e+01 1.09404e+01 1.31116e+02 298.583 2.85817e+00  -5.24599e+00 0.00000e+00 0.00000e+00 2.60728e+01 298.583 1.05043e+02 118.583 0.9120 
1 1 1 18 7  18 f 0  1.98834e+02 4.73069e+00 2.67900e+02 309.757 2.59316e+01  -3.11713e+01 0.00000e+00 0.00000e+00 2.42069e+02 309.757 2.58317e+01 129.757 0.9876 
1 1 1 18 7  19 o 17 1.90997e+02 4.84844e+00 2.02007e+02 45.880  2.01941e+01  2.08241e+01  0.00000e+00 0.00000e+00 2.84612e+02 45.880  8.26050e+01 45.880  0.9826 
1 1 1 18 7  20 o 18 1.01632e+02 7.27074e+00 1.31311e+02 213.871 -8.21297e+00 -5.51288e+00 0.00000e+00 0.00000e+00 1.18091e+02 213.871 1.32208e+01 33.871  0.9480 
1 1 1 18 7  21 o 7  4.96912e+01 1.11123e+01 7.69998e+01 277.634 3.82300e-01  -2.85215e+00 0.00000e+00 0.00000e+00 2.57861e+01 277.634 5.12137e+01 97.634  0.8005 
1 1 1 18 7  22 o 16 7.73172e+01 9.55600e+00 8.13530e+01 132.947 -3.28764e+00 3.53207e+00  0.00000e+00 0.00000e+00 9.59594e+01 132.947 1.46063e+01 132.947 0.8892 
1 1 1 18 7  23 o 19 7.80567e+01 9.77471e+00 8.69960e+01 205.657 -4.51166e+00 -2.16711e+00 0.00000e+00 0.00000e+00 9.25359e+01 205.657 5.53989e+00 205.657 0.8935 
1 1 1 18 7  24 o 17 2.13106e+02 4.46255e+00 2.78654e+02 51.637  3.69658e+01  4.67011e+01  0.00000e+00 0.00000e+00 2.64187e+02 51.637  1.44665e+01 231.637 0.9916 
1 1 1 18 7  25 o 9  8.26629e+01 9.03852e+00 6.48077e+01 106.485 -1.39469e+00 4.71299e+00  0.00000e+00 0.00000e+00 1.24082e+02 106.485 5.92741e+01 106.485 0.8914 
1 1 1 18 7  26 o 5  1.38965e+02 5.52213e+00 1.28311e+02 333.949 1.38933e+01  -6.79153e+00 0.00000e+00 0.00000e+00 2.15455e+02 333.949 8.71449e+01 333.949 0.9671 
1 1 1 18 7  27 o 3  3.56575e+01 1.06988e+01 8.39645e+01 94.737  -2.38898e-01 2.88313e+00  0.00000e+00 0.00000e+00 1.10054e+01 274.737 9.49699e+01 274.737 0.8018 
1 1 1 18 7  28 o 2  4.99499e+01 1.14758e+01 6.67631e+01 268.553 -8.20109e-02 -3.24706e+00 0.00000e+00 0.00000e+00 3.83799e+01 268.553 2.83832e+01 88.553  0.8268 
1 1 1 18 7  29 o 13 1.20010e+02 6.14348e+00 2.06401e+02 344.120 2.49686e+01  -7.10293e+00 0.00000e+00 0.00000e+00 9.24640e+01 344.120 1.13937e+02 164.120 0.9805 
1 1 1 18 7  30 o 6  9.24539e+01 7.78667e+00 9.23070e+01 40.282  6.52095e+00  5.52664e+00  0.00000e+00 0.00000e+00 1.27746e+02 40.282  3.54393e+01 40.282  0.9395 
1 1 1 18 7  31 o 2  3.46036e+01 1.04479e+01 3.59941e+01 331.248 1.19280e+00  -6.54431e-01 0.00000e+00 0.00000e+00 1.29424e+01 331.248 2.30517e+01 151.248 0.5597 
1 1 1 18 7  32 o 1  7.81355e+01 1.25526e+01 1.28293e+02 110.517 -3.78696e+00 1.01194e+01  0.00000e+00 0.00000e+00 5.92462e+01 110.517 6.90467e+01 290.517 0.9525 
1 1 1 18 7  33 o 4  7.25118e+01 1.58000e+01 1.20098e+02 129.994 -4.46898e+00 5.32710e+00  0.00000e+00 0.00000e+00 4.84399e+01 129.994 7.16584e+01 309.994 0.9250 
1 1 1 18 7  34 o 16 3.71850e+01 1.06642e+01 3.12936e+01 216.487 -1.19133e+00 -8.81114e-01 0.00000e+00 0.00000e+00 2.38226e+01 216.487 7.47104e+00 36.487  0.5916 
1 1 1 18 7  35 o 19 1.60109e+02 5.03386e+00 1.92775e+02 30.794  3.99305e+01  2.37981e+01  0.00000e+00 0.00000e+00 2.02855e+02 30.794  1.00800e+01 30.794  0.9892 
1 1 1 18 7  36 o 6  5.78877e+01 1.09762e+01 9.44100e+01 180.282 -6.65765e+00 -3.28073e-02 0.00000e+00 0.00000e+00 3.84358e+01 180.282 5.59742e+01 0.282   0.9215 
1 1 1 18 7  37 o 12 7.81943e+01 8.90288e+00 6.11291e+01 130.751 -4.25947e+00 4.94312e+00  0.00000e+00 0.00000e+00 1.17427e+02 130.751 5.62978e+01 130.751 0.9198 
1 1 1 18 7  38 o 14 1.30987e+02 5.76256e+00 1.62764e+02 201.050 -3.46981e+01 -1.33538e+01 0.00000e+00 0.00000e+00 1.56979e+02 201.050 5.78526e+00 21.050  0.9865 
1 1 1 18 7  39 o 5  3.56497e+01 1.05433e+01 7.28612e+01 288.402 1.22212e+00  -3.67335e+00 0.00000e+00 0.00000e+00 2.61152e+00 288.402 7.02497e+01 108.402 0.8584 
1 1 1 18 7  40 o 12 4.88490e+01 9.83609e+00 1.25903e+01 285.392 2.43003e-01  -8.82690e-01 0.00000e+00 0.00000e+00 3.73170e+01 285.392 2.47267e+01 285.392 0.4157 
1 1 1 18 7  41 o 2  1.03690e+02 9.02554e+00 1.07897e+02 284.903 4.97943e+00  -1.87099e+01 0.00000e+00 0.00000e+00 1.39429e+02 284.903 3.15321e+01 284.903 0.9738 
1 1 1 18 7  42 o 13 3.74795e+01 1.11223e+01 4.65967e+01 178.339 -2.72608e+00 7.90603e-02  0.00000e+00 0.00000e+00 2.54480e+01 178.339 2.11487e+01 358.339 0.7876 
1 1 1 18 7  43 o 4  3.25941e+01 1.03803e+01 7.35854e+01 251.048 -1.36157e+00 -3.96518e+00 0.00000e+00 0.00000e+00 4.58824e+00 71.048  7.81736e+01 71.048  0.8705 
1 1 1 18 7  44 f 0  4.35203e+01 1.15425e+01 5.58727e+01 348.051 4.18841e+00  -8.86348e-01 0.00000e+00 0.00000e+00 3.62240e+01 348.051 1.96487e+01 168.051 0.8735 
1 1 1 18 7  45 o 16 4.54502e+01 1.13869e+01 4.23915e+01 225.807 -2.46407e+00 -2.53448e+00 0.00000e+00 0.00000e+00 5.00620e+01 225.807 7.67055e+00 225.807 0.8429 
1 1 1 18 7  46 o 14 4.49561e+01 1.11264e+01 3.26735e+01 259.866 -5.07099e-01 -2.83708e+00 0.00000e+00 0.00000e+00 5.38743e+01 259.866 2.12009e+01 259.866 0.8009 
1 1 1 18 7  47 o 9  3.80628e+01 1.11242e+01 3.41740e+01 105.726 -7.42893e-01 2.63825e+00  0.00000e+00 0.00000e+00 3.77132e+01 105.726 3.53928e+00 105.726 0.7888 
1 1 1 18 7  48 o 12 1.11239e+02 7.20036e+00 1.13044e+02 43.667  2.41100e+01  2.30137e+01  0.00000e+00 0.00000e+00 1.48187e+02 43.667  3.51431e+01 43.667  0.9849 
1 1 1 18 7  49 o 12 3.16831e+01 9.84563e+00 2.52116e+01 121.189 -1.04135e+00 1.72022e+00  0.00000e+00 0.00000e+00 2.74157e+01 121.189 2.20409e+00 121.189 0.6995 
1 1 1 18 8  0  f 0  4.08564e+02 7.10406e+00 2.53072e+02 0.000   2.91002e+01  0.00000e+00  0.00000e+00 0.00000e+00 8.25208e+02 0.000   5.72136e+02 0.000   1.0000 
1 1 1 18 8  1  o 7  1.58018e+02 6.82995e+00 2.05699e+02 268.569 -4.49536e-01 -1.79981e+01 0.00000e+00 0.00000e+00 1.99571e+02 268.569 6.12842e+00 88.569  0.9718 
1 1 1 18 8  2  o 14 4.67776e+01 1.36913e+01 8.10199e+01 21.747  1.76626e+00  7.04540e-01  0.00000e+00 0.00000e+00 3.03030e+00 21.747  7.79896e+01 201.746 0.6809 
1 1 1 18 8  3  o 19 6.97781e+01 1.28749e+01 5.98705e+01 49.600  1.37620e+00  1.61705e+00  0.00000e+00 0.00000e+00 7.21254e+01 49.600  1.22548e+01 49.600  0.7170 
1 1 1 18 8  4  o 8  1.22106e+02 7.89996e+00 1.92333e+02 164.178 -1.23109e+01 3.48863e+00  0.00000e+00 0.00000e+00 1.16856e+02 164.178 7.54771e+01 344.178 0.9601 
1 1 1 18 8  5  o 16 1.45459e+02 7.48251e+00 1.84631e+02 26.686  1.30947e+01  6.58202e+00  0.00000e+00 0.00000e+00 1.85528e+02 26.686  8.97416e-01 26.686  0.9653 
1 1 1 18 8  6  f 0  8.05100e+01 1.04473e+01 9.92509e+01 198.782 -3.96240e+00 -1.34751e+00 0.00000e+00 0.00000e+00 8.53821e+01 198.782 1.38687e+01 18.782  0.8703 
1 1 1 18 8  7  o 11 2.20509e+02 4.87778e+00 2.42678e+02 34.752  2.43613e+01  1.69013e+01  0.00000e+00 0.00000e+00 3.28182e+02 34.752  8.55045e+01 34.752  0.9830 
1 1 1 18 8  8  o 3  1.25421e+02 7.17128e+00 1.36655e+02 76.613  2.14454e+00  9.01062e+00  0.00000e+00 0.00000e+00 1.75079e+02 76.613  3.84235e+01 76.613  0.9444 
1 1 1 18 8  9  o 12 1.71398e+02 5.49580e+00 1.46107e+02 54.265  1.08200e+01  1.50382e+01  0.00000e+00 0.00000e+00 2.92328e+02 54.265  1.46221e+02 54.265  0.9726 
1 1 1 18 8  10 f 0  1.10226e+02 7.65239e+00 1.78799e+02 68.236  5.23072e+00  1.31014e+01  0.00000e+00 0.00000e+00 1.00394e+02 68.236  7.84054e+01 248.236 0.9639 
1 1 1 18 8  11 o 11 2.16422e+02 4.53895e+00 2.71218e+02 223.143 -3.15813e+01 -2.95977e+01 0.00000e+00 0.00000e+00 2.90386e+02 223.143 1.91681e+01 223.143 0.9884 
1 1 1 18 8  12 o 14 3.63891e+01 1.10759e+01 5.16897e+01 129.081 -8.27906e-01 1.01943e+00  0.00000e+00 0.00000e+00 4.67267e-01 129.081 5.12224e+01 309.081 0.5465 
1 1 1 18 8  13 o 13 4.97207e+01 1.17628e+01 7.77323e+01 192.412 -2.58003e+00 -5.67806e-01 0.00000e+00 0.00000e+00 2.38230e+01 192.412 5.39093e+01 12.412  0.7796 
1 1 1 18 8  14 o 14 7.43761e+01 1.04299e+01 1.49900e+02 213.223 -6.49801e+00 -4.25591e+00 0.00000e+00 0.00000e+00 3.17412e+01 213.223 1.18159e+02 33.223  0.9332 
1 1 1 18 8  15 o 19 1.74870e+02 5.33360e+00 1.71841e+02 37.744  1.80894e+01  1.40035e+01  0.00000e+00 0.00000e+00 2.75115e+02 37.744  1.03273e+02 37.744  0.9779 
1 1 1 18 8  16 o 12 1.81558e+02 5.13719e+00 2.33309e+02 294.537 1.32932e+01  -2.91194e+01 0.00000e+00 0.00000e+00 2.33133e+02 294.537 1.75261e-01 114.537 0.9843 
1 1 1 18 8  17 o 4  1.46547e+02 5.80156e+00 1.92850e+02 134.625 -1.51351e+01 1.53347e+01  0.00000e+00 0.00000e+00 1.80152e+02 134.625 1.26975e+01 314.625 0.9765 
1 1 1 18 8  18 o 16 1.78816e+02 4.91797e+00 1.91209e+02 115.948 -1.13941e+01 2.34148e+01  0.00000e+00 0.00000e+00 2.65147e+02 115.948 7.39381e+01 115.948 0.9806 
1 1 1 18 8  19 o 7  1.71541e+02 5.07028e+00 2.35545e+02 209.134 -2.93417e+01 -1.63542e+01 0.00000e+00 0.00000e+00 2.03504e+02 209.134 3.20410e+01 29.134  0.9850 
1 1 1 18 8  20 o 16 2.02213e+02 4.66564e+00 2.41281e+02 41.703  3.00590e+01  2.67843e+01  0.00000e+00 0.00000e+00 2.76712e+02 41.703  3.54310e+01 41.703  0.9875 
1 1 1 18 8  21 o 18 6.54398e+01 1.09109e+01 7.39891e+01 358.464 3.49690e+00  -9.37914e-02 0.00000e+00 0.00000e+00 6.85233e+01 358.464 5.46579e+00 178.464 0.8410 
1 1 1 18 8  22 o 13 3.88984e+01 1.10288e+01 6.84214e+01 173.621 -2.35248e+00 2.62987e-01  0.00000e+00 0.00000e+00 6.95674e+00 173.621 6.14647e+01 353.621 0.7497 
1 1 1 18 8  23 o 9  3.08828e+02 4.21881e+00 3.58153e+02 329.014 9.45649e+01  -5.67888e+01 0.00000e+00 0.00000e+00 4.34898e+02 329.014 7.67452e+01 329.014 0.9955 
1 1 1 18 8  24 o 16 1.86158e+02 4.76388e+00 2.47971e+02 95.160  -3.65530e+00 4.04793e+01  0.00000e+00 0.00000e+00 2.25348e+02 95.160  2.26221e+01 275.160 0.9876 
1 1 1 18 8  25 o 3  1.52650e+02 5.20231e+00 2.25068e+02 200.332 -3.51452e+01 -1.30232e+01 0.00000e+00 0.00000e+00 1.61822e+02 200.332 6.32465e+01 20.332  0.9866 
1 1 1 18 8  26 o 18 1.13941e+02 6.54282e+00 1.22796e+02 304.390 8.72059e+00  -1.27409e+01 0.00000e+00 0.00000e+00 1.59651e+02 304.390 3.68546e+01 304.390 0.9671 
1 1 1 18 8  27 f 0  6.20910e+01 1.12210e+01 1.47836e+01 129.950 -5.74851e-01 6.86297e-01  0.00000e+00 0.00000e+00 5.00125e+01 129.950 3.52288e+01 129.950 0.4080 
1 1 1 18 8  28 o 12 1.11586e+02 6.35221e+00 1.63085e+02 275.137 1.69246e+00  -1.88261e+01 0.00000e+00 0.00000e+00 1.13984e+02 275.137 4.91006e+01 95.137  0.9732 
1 1 1 18 8  29 o 1  7.86161e+01 8.87164e+00 9.01048e+01 98.431  -1.19606e+00 8.06932e+00  0.00000e+00 0.00000e+00 9.72880e+01 98.431  7.18328e+00 98.431  0.9365 
1 1 1 18 8  30 o 7  6.11008e+01 9.86775e+00 9.56450e+01 141.070 -5.39077e+00 4.35452e+00  0.00000e+00 0.00000e+00 4.77974e+01 141.070 4.78476e+01 321.070 0.9247 
1 1 1 18 8  32 o 9  8.88691e+01 7.78946e+00 1.06972e+02 126.945 -8.05004e+00 1.07041e+01  0.00000e+00 0.00000e+00 1.08889e+02 126.945 1.91749e+00 126.945 0.9619 
1 1 1 18 8  33 o 7  5.68998e+01 1.12499e+01 3.36315e+01 245.195 -1.02712e+00 -2.22236e+00 0.00000e+00 0.00000e+00 7.51522e+01 245.195 4.15207e+01 245.195 0.7592 
1 1 1 18 8  34 o 3  8.50518e+01 7.89677e+00 8.08679e+01 129.914 -5.98134e+00 7.15010e+00  0.00000e+00 0.00000e+00 1.20880e+02 129.914 4.00124e+01 129.914 0.9447 
1 1 1 18 8  35 o 9  2.82038e+01 9.24802e+00 1.90085e+01 7.048   7.28904e-01  9.01207e-02  0.00000e+00 0.00000e+00 5.31481e+00 7.048   1.36937e+01 187.048 0.3445 
1 1 1 18 8  36 o 1  4.85518e+01 1.02800e+01 4.07591e+01 138.583 -2.02086e+00 1.78267e+00  0.00000e+00 0.00000e+00 5.43139e+01 138.583 1.35548e+01 138.583 0.7846 
1 1 1 18 8  37 o 10 4.79713e+01 1.06675e+01 3.09089e+01 66.464  8.78927e-01  2.01797e+00  0.00000e+00 0.00000e+00 5.59959e+01 66.464  2.50870e+01 66.464  0.7282 
1 1 1 18 8  38 o 3  1.33563e+02 5.80282e+00 1.46299e+02 280.736 6.32910e+00  -3.33802e+01 0.00000e+00 0.00000e+00 1.80001e+02 280.736 3.37019e+01 280.736 0.9852 
1 1 1 18 8  39 o 9  5.44764e+01 1.03456e+01 7.66590e+01 253.180 -1.76582e+00 -5.84147e+00 0.00000e+00 0.00000e+00 4.63951e+01 253.180 3.02639e+01 73.180  0.9139 
1 1 1 18 8  40 o 15 9.68782e+01 7.76252e+00 1.27172e+02 227.537 -1.50873e+01 -1.64860e+01 0.00000e+00 0.00000e+00 1.06056e+02 227.537 2.11162e+01 47.537  0.9774 
1 1 1 18 8  41 o 11 7.99326e+01 1.01830e+01 9.01449e+01 290.287 4.10228e+00  -1.10979e+01 0.00000e+00 0.00000e+00 9.75735e+01 290.287 7.42855e+00 290.287 0.9568 
1 1 1 18 8  42 o 3  5.26445e+01 1.01017e+01 5.72128e+01 96.337  -5.88926e-01 5.30321e+00  0.00000e+00 0.00000e+00 5.87513e+01 96.337  1.53841e+00 96.337  0.9006 
1 1 1 18 8  43 o 5  5.84500e+01 1.13816e+01 9.54645e+01 129.680 -6.32870e+00 7.62827e+00  0.00000e+00 0.00000e+00 3.95821e+01 129.680 5.58825e+01 309.680 0.9481 
1 1 1 18 8  44 o 15 8.20778e+01 9.76679e+00 7.96198e+01 86.307  8.37265e-01  1.29707e+01  0.00000e+00 0.00000e+00 1.11818e+02 86.307  3.21984e+01 86.307  0.9607 
1 1 1 18 8  45 o 3  3.69019e+01 1.01191e+01 4.19997e+01 125.581 -1.87332e+00 2.61849e+00  0.00000e+00 0.00000e+00 3.16269e+01 125.581 1.03728e+01 305.581 0.8250 
1 1 1 18 8  46 o 3  4.47844e+01 1.21258e+01 5.79694e+01 200.883 -4.83298e+00 -1.84392e+00 0.00000e+00 0.00000e+00 3.88287e+01 200.883 1.91407e+01 20.883  0.8972 
1 1 1 18 8  47 o 14 4.43775e+01 1.15558e+01 6.62319e+01 291.099 2.23254e+00  -5.78612e+00 0.00000e+00 0.00000e+00 3.12345e+01 291.099 3.49973e+01 111.099 0.9154 
1 1 1 18 8  48 o 7  8.50103e+01 8.74893e+00 9.08737e+01 162.892 -1.98524e+01 6.11051e+00  0.00000e+00 0.00000e+00 1.07307e+02 162.892 1.64336e+01 162.892 0.9756 
1 1 1 18 9  0  f 0  3.32648e+01 1.98759e+01 8.01523e+01 180.000 -8.45370e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.95484e+01 0.000   9.97006e+01 0.000   0.6886 
1 1 1 18 9  1  o 18 2.01048e+02 5.29934e+00 1.93575e+02 258.781 -5.59535e+00 -2.82090e+01 0.00000e+00 0.00000e+00 3.28960e+02 258.781 1.35385e+02 258.781 0.9825 
1 1 1 18 9  2  o 19 8.03380e+01 1.12250e+01 1.45352e+02 4.743   7.84170e+00  6.50643e-01  0.00000e+00 0.00000e+00 5.31499e+01 4.743   9.22023e+01 184.743 0.9341 
1 1 1 18 9  3  o 12 1.89718e+02 5.04297e+00 1.98762e+02 76.350  6.57665e+00  2.70804e+01  0.00000e+00 0.00000e+00 2.93873e+02 76.350  9.51109e+01 76.350  0.9819 
1 1 1 18 9  4  o 11 8.22315e+01 1.03083e+01 1.28028e+02 208.460 -6.32667e+00 -3.42939e+00 0.00000e+00 0.00000e+00 7.36460e+01 208.460 5.43821e+01 28.460  0.9277 
1 1 1 18 9  5  o 17 2.46819e+02 5.00015e+00 2.81737e+02 329.054 4.61468e+01  -2.76685e+01 0.00000e+00 0.00000e+00 3.64450e+02 329.054 8.27130e+01 329.054 0.9907 
1 1 1 18 9  6  o 4  1.01483e+02 8.42242e+00 1.29199e+02 216.661 -7.74765e+00 -5.76668e+00 0.00000e+00 0.00000e+00 1.24584e+02 216.661 4.61550e+00 36.661  0.9467 
1 1 1 18 9  7  o 4  1.68910e+02 5.75469e+00 2.29582e+02 186.707 -2.93341e+01 -3.44969e+00 0.00000e+00 0.00000e+00 2.08725e+02 186.707 2.08576e+01 6.707   0.9829 
1 1 1 18 9  8  o 10 1.85096e+02 5.52193e+00 2.05182e+02 314.212 2.01298e+01  -2.06912e+01 0.00000e+00 0.00000e+00 2.74621e+02 314.212 6.94392e+01 314.212 0.9825 
1 1 1 18 9  9  o 16 3.88510e+01 1.15493e+01 1.12334e+02 131.277 -1.97439e+00 2.24921e+00  0.00000e+00 0.00000e+00 2.94250e+01 311.277 1.41759e+02 311.277 0.8095 
1 1 1 18 9  10 o 2  5.72025e+01 1.24965e+01 8.65749e+01 94.109  -2.41788e-01 3.36546e+00  0.00000e+00 0.00000e+00 3.91320e+01 94.109  4.74429e+01 274.109 0.8342 
1 1 1 18 9  11 o 8  1.59848e+02 5.71593e+00 1.42562e+02 348.379 1.69951e+01  -3.49513e+00 0.00000e+00 0.00000e+00 2.65818e+02 348.379 1.23256e+02 348.379 0.9707 
1 1 1 18 9  12 o 6  7.58782e+01 1.06882e+01 8.31475e+01 87.713  1.76061e-01  4.40922e+00  0.00000e+00 0.00000e+00 9.19545e+01 87.713  8.80701e+00 87.713  0.8777 
1 1 1 18 9  13 o 16 9.70092e+01 8.11438e+00 1.36486e+02 255.230 -2.51511e+00 -9.53986e+00 0.00000e+00 0.00000e+00 1.05016e+02 255.230 3.14701e+01 75.230  0.9479 
1 1 1 18 9  14 o 17 1.06488e+02 7.53350e+00 2.11560e+02 253.921 -4.65462e+00 -1.61484e+01 0.00000e+00 0.00000e+00 5.93465e+01 253.921 1.52214e+02 73.921  0.9698 
1 1 1 18 9  15 o 4  1.99772e+02 4.76736e+00 2.17499e+02 115.506 -1.58263e+01 3.31721e+01  0.00000e+00 0.00000e+00 2.98739e+02 115.506 8.12409e+01 115.506 0.9863 
1 1 1 18 9  16 f 0  1.69748e+02 4.94006e+00 1.78651e+02 338.963 2.36764e+01  -9.10627e+00 0.00000e+00 0.00000e+00 2.56656e+02 338.963 7.80052e+01 338.963 0.9801 
1 1 1 18 9  17 o 9  1.47439e+02 5.48687e+00 1.99940e+02 49.250  1.58403e+01  1.83839e+01  0.00000e+00 0.00000e+00 1.77266e+02 49.250  2.26733e+01 229.250 0.9792 
1 1 1 18 9  18 o 8  9.08967e+01 7.76229e+00 1.40740e+02 134.460 -6.90395e+00 7.03540e+00  0.00000e+00 0.00000e+00 8.40258e+01 134.460 5.67146e+01 314.460 0.9478 
1 1 1 18 9  19 f 0  2.16194e+02 4.60367e+00 2.33695e+02 343.539 4.92035e+01  -1.45386e+01 0.00000e+00 0.00000e+00 3.23913e+02 343.539 9.02178e+01 343.539 0.9902 
1 1 1 18 9  20 o 3  7.24976e+01 1.02732e+01 6.24771e+01 115.183 -1.74387e+00 3.70883e+00  0.00000e+00 0.00000e+00 1.01005e+02 115.183 3.85282e+01 115.183 0.8672 
1 1 1 18 9  21 o 2  7.58972e+01 9.93307e+00 7.74024e+01 215.545 -3.92061e+00 -2.80119e+00 0.00000e+00 0.00000e+00 9.77378e+01 215.545 2.03354e+01 215.545 0.8890 
1 1 1 18 9  22 o 4  2.84062e+01 9.41486e+00 9.68173e+00 347.397 2.20016e-01  -4.91918e-02 0.00000e+00 0.00000e+00 1.43771e+00 167.397 1.11194e+01 167.397 0.1120 
1 1 1 18 9  23 o 10 7.43993e+01 9.89388e+00 7.90271e+01 221.696 -4.36372e+00 -3.88741e+00 0.00000e+00 0.00000e+00 9.60212e+01 221.696 1.69941e+01 221.696 0.9099 
1 1 1 18 9  24 o 8  1.43563e+02 5.73924e+00 1.90307e+02 180.294 -3.06761e+01 -1.57309e-01 0.00000e+00 0.00000e+00 1.74090e+02 180.294 1.62168e+01 0.294   0.9836 
1 1 1 18 9  25 o 14 6.29674e+01 1.11957e+01 8.49696e+01 245.680 -2.15719e+00 -4.77312e+00 0.00000e+00 0.00000e+00 6.07460e+01 245.680 2.42235e+01 65.680  0.8986 
1 1 1 18 9  26 o 5  1.19551e+02 6.18842e+00 1.48569e+02 110.664 -6.56373e+00 1.74031e+01  0.00000e+00 0.00000e+00 1.50249e+02 110.664 1.67928e+00 110.664 0.9727 
1 1 1 18 9  27 o 18 4.23571e+01 1.07331e+01 7.78118e+01 42.565  2.66657e+00  2.44899e+00  0.00000e+00 0.00000e+00 1.41814e+01 42.565  6.36304e+01 222.565 0.8472 
1 1 1 18 9  28 o 9  3.36626e+01 1.04380e+01 4.50656e+00 278.590 2.65612e-02  -1.75834e-01 0.00000e+00 0.00000e+00 3.11851e+00 278.590 1.38805e+00 98.590  0.0886 
1 1 1 18 9  30 o 16 8.79002e+01 8.01188e+00 1.08237e+02 208.840 -1.17662e+01 -6.47917e+00 0.00000e+00 0.00000e+00 1.06961e+02 208.840 1.27601e+00 28.840  0.9620 
1 1 1 18 9  31 o 14 6.18663e+01 1.06277e+01 5.16631e+01 158.146 -3.80255e+00 1.52504e+00  0.00000e+00 0.00000e+00 8.45021e+01 158.146 3.28390e+01 158.146 0.8671 
1 1 1 18 9  32 o 17 1.30401e+02 5.80841e+00 1.37447e+02 146.978 -2.24945e+01 1.46206e+01  0.00000e+00 0.00000e+00 1.86421e+02 146.978 4.89739e+01 146.978 0.9812 
1 1 1 18 9  33 o 5  9.77759e+01 7.25506e+00 9.23814e+01 57.579  6.64411e+00  1.04611e+01  0.00000e+00 0.00000e+00 1.44245e+02 57.579  5.18638e+01 57.579  0.9588 
1 1 1 18 9  34 o 17 6.75771e+01 1.00407e+01 8.75295e+01 18.285  7.46754e+00  2.46742e+00  0.00000e+00 0.00000e+00 7.13418e+01 18.285  1.61877e+01 198.285 0.9341 
1 1 1 18 9  35 o 14 6.71248e+01 1.07361e+01 7.07607e+01 280.844 1.19292e+00  -6.22771e+00 0.00000e+00 0.00000e+00 8.37615e+01 280.844 1.30008e+01 280.844 0.9174 
1 1 1 18 9  36 o 3  3.31682e+01 1.00373e+01 3.12713e+01 72.529  4.72252e-01  1.50043e+00  0.00000e+00 0.00000e+00 1.96497e+01 72.529  1.16216e+01 252.529 0.6137 
1 1 1 18 9  37 o 6  1.03094e+02 7.24558e+00 8.35637e+01 319.291 1.07387e+01  -9.23959e+00 0.00000e+00 0.00000e+00 1.64292e+02 319.291 8.07283e+01 319.291 0.9640 
1 1 1 18 9  38 o 17 8.60474e+01 9.14770e+00 1.36962e+02 50.510  1.30880e+01  1.58824e+01  0.00000e+00 0.00000e+00 7.16727e+01 50.510  6.52896e+01 230.510 0.9754 
1 1 1 18 9  39 o 11 9.99583e+01 7.11400e+00 1.18447e+02 161.825 -2.07640e+01 6.81681e+00  0.00000e+00 0.00000e+00 1.23473e+02 161.825 5.02593e+00 161.825 0.9768 
1 1 1 18 9  40 o 4  2.79174e+01 9.18608e+00 1.90678e+01 28.773  7.96233e-01  4.37250e-01  0.00000e+00 0.00000e+00 9.40058e+00 28.773  9.66717e+00 208.773 0.4130 
1 1 1 18 9  41 o 4  3.12315e+01 9.96300e+00 2.43955e+01 227.833 -9.10759e-01 -1.00559e+00 0.00000e+00 0.00000e+00 1.85359e+01 227.833 5.85963e+00 47.833  0.5587 
1 1 1 18 9  42 o 8  4.69091e+01 1.12303e+01 4.19882e+01 180.807 -3.52103e+00 -4.95993e-02 0.00000e+00 0.00000e+00 5.48737e+01 180.807 1.28856e+01 180.807 0.8422 
1 1 1 18 9  43 o 1  3.71721e+01 1.09326e+01 6.58250e+01 173.814 -4.88985e+00 5.29960e-01  0.00000e+00 0.00000e+00 1.51219e+01 173.814 5.07032e+01 353.814 0.8915 
1 1 1 18 9  44 o 10 4.67715e+01 1.17809e+01 3.35167e+01 250.430 -9.98804e-01 -2.80970e+00 0.00000e+00 0.00000e+00 5.85261e+01 250.430 2.50094e+01 250.430 0.8086 
1 1 1 18 9  45 o 10 6.05219e+01 1.12511e+01 7.49839e+01 41.760  7.09124e+00  6.33147e+00  0.00000e+00 0.00000e+00 6.37929e+01 41.760  1.11911e+01 221.760 0.9458 
1 1 1 18 9  46 o 12 9.13415e+01 8.16901e+00 9.26608e+01 134.268 -1.48219e+01 1.52055e+01  0.00000e+00 0.00000e+00 1.22652e+02 134.268 2.99913e+01 134.268 0.9762 
1 1 1 18 9  47 o 14 3.18929e+01 1.00590e+01 2.70920e+01 90.945  -3.55420e-02 2.15368e+00  0.00000e+00 0.00000e+00 2.82522e+01 90.945  1.16026e+00 90.945  0.7215 
1 1 1 18 10 0  o 16 2.01021e+02 6.76079e+00 1.09416e+02 180.000 -8.51114e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.23842e+02 180.000 3.14426e+02 180.000 1.0000 
1 1 1 18 10 1  o 1  1.19991e+02 6.60747e+00 2.01648e+02 137.751 -1.35674e+01 1.23234e+01  0.00000e+00 0.00000e+00 1.07835e+02 137.751 9.38139e+01 317.751 0.9723 
1 1 1 18 10 2  o 5  2.33170e+02 4.70955e+00 3.09001e+02 268.672 -1.29132e+00 -5.57162e+01 0.00000e+00 0.00000e+00 3.03857e+02 268.672 5.14388e+00 88.672  0.9910 
1 1 1 18 10 3  o 12 1.83359e+02 5.30057e+00 2.40739e+02 156.939 -3.11789e+01 1.32736e+01  0.00000e+00 0.00000e+00 2.38248e+02 156.939 2.49125e+00 336.939 0.9851 
1 1 1 18 10 4  o 5  1.50505e+02 5.99788e+00 1.95685e+02 12.489  2.18529e+01  4.84040e+00  0.00000e+00 0.00000e+00 1.94274e+02 12.489  1.41018e+00 192.489 0.9774 
1 1 1 18 10 5  o 19 8.36095e+01 1.01025e+01 6.06236e+01 77.189  7.98840e-01  3.51298e+00  0.00000e+00 0.00000e+00 1.26876e+02 77.189  6.62528e+01 77.189  0.8463 
1 1 1 18 10 6  o 7  1.34811e+02 6.30163e+00 1.87074e+02 114.898 -8.19862e+00 1.76638e+01  0.00000e+00 0.00000e+00 1.60697e+02 114.898 2.63778e+01 294.898 0.9740 
1 1 1 18 10 7  o 17 2.37992e+02 4.51352e+00 2.39151e+02 305.102 2.56809e+01  -3.65377e+01 0.00000e+00 0.00000e+00 3.83753e+02 305.102 1.44602e+02 305.102 0.9887 
1 1 1 18 10 8  o 19 1.29140e+02 6.27611e+00 1.39494e+02 359.805 1.38002e+01  -4.69356e-02 0.00000e+00 0.00000e+00 1.89516e+02 359.805 5.00218e+01 359.805 0.9631 
1 1 1 18 10 9  o 7  1.62673e+02 5.86517e+00 1.33643e+02 245.876 -6.80724e+00 -1.52008e+01 0.00000e+00 0.00000e+00 2.83266e+02 245.876 1.49624e+02 245.876 0.9695 
1 1 1 18 10 10 o 1  1.00710e+02 8.24747e+00 1.18824e+02 254.666 -2.56653e+00 -9.35972e+00 0.00000e+00 0.00000e+00 1.33081e+02 254.666 1.42569e+01 254.666 0.9470 
1 1 1 18 10 11 o 19 1.31050e+02 6.72445e+00 1.01767e+02 138.754 -8.28497e+00 7.26475e+00  0.00000e+00 0.00000e+00 2.27978e+02 138.754 1.26211e+02 138.754 0.9535 
1 1 1 18 10 12 o 8  1.61631e+02 5.82059e+00 1.91009e+02 267.749 -1.00763e+00 -2.56321e+01 0.00000e+00 0.00000e+00 2.26711e+02 267.749 3.57014e+01 267.749 0.9803 
1 1 1 18 10 13 o 1  5.56727e+01 1.19037e+01 5.99865e+01 325.684 1.99158e+00  -1.35937e+00 0.00000e+00 0.00000e+00 5.07047e+01 325.684 9.28172e+00 145.684 0.7550 
1 1 1 18 10 14 o 6  6.82333e+01 1.18097e+01 1.44307e+02 29.552  6.15430e+00  3.48931e+00  0.00000e+00 0.00000e+00 2.19567e+01 29.552  1.22350e+02 209.552 0.9264 
1 1 1 18 10 15 o 17 6.94647e+01 1.26608e+01 4.75225e+01 246.069 -9.36615e-01 -2.11051e+00 0.00000e+00 0.00000e+00 8.79820e+01 246.069 4.04595e+01 246.069 0.7425 
1 1 1 18 10 16 o 11 5.51757e+01 1.31119e+01 6.14443e+01 121.853 -1.51558e+00 2.43937e+00  0.00000e+00 0.00000e+00 5.43698e+01 121.853 7.07443e+00 301.853 0.8000 
1 1 1 18 10 17 o 2  1.24508e+02 6.66446e+00 1.91407e+02 199.977 -2.19096e+01 -7.96458e+00 0.00000e+00 0.00000e+00 1.27714e+02 199.977 6.36931e+01 19.977  0.9783 
1 1 1 18 10 18 o 11 1.44105e+02 5.94088e+00 2.00265e+02 276.157 2.73661e+00  -2.53665e+01 0.00000e+00 0.00000e+00 1.69239e+02 276.157 3.10257e+01 96.157  0.9802 
1 1 1 18 10 19 o 1  6.80259e+01 1.11169e+01 1.40689e+02 16.399  7.29680e+00  2.14737e+00  0.00000e+00 0.00000e+00 2.48494e+01 16.399  1.15840e+02 196.399 0.9317 
1 1 1 18 10 20 o 11 1.27500e+02 5.99836e+00 2.02945e+02 206.567 -2.52003e+01 -1.26011e+01 0.00000e+00 0.00000e+00 1.23539e+02 206.567 7.94063e+01 26.567  0.9821 
1 1 1 18 10 21 o 1  4.08044e+01 1.11051e+01 4.44498e+01 242.881 -8.27264e-01 -1.61529e+00 0.00000e+00 0.00000e+00 2.61644e+01 242.881 1.82853e+01 62.881  0.6649 
1 1 1 18 10 22 o 11 7.43013e+01 9.38140e+00 9.70238e+01 118.057 -3.51877e+00 6.60197e+00  0.00000e+00 0.00000e+00 8.25983e+01 118.057 1.44255e+01 298.057 0.9305 
1 1 1 18 10 23 o 15 1.09115e+02 6.54543e+00 1.29335e+02 115.773 -6.46977e+00 1.33995e+01  0.00000e+00 0.00000e+00 1.43910e+02 115.773 1.45744e+01 115.773 0.9658 
1 1 1 18 10 24 o 19 1.04623e+02 6.72862e+00 7.57048e+01 39.344  7.56760e+00  6.20377e+00  0.00000e+00 0.00000e+00 1.80793e+02 39.344  1.05088e+02 39.344  0.9474 
1 1 1 18 10 25 o 8  5.93343e+01 9.42006e+00 1.10723e+02 300.773 3.83954e+00  -6.44782e+00 0.00000e+00 0.00000e+00 3.18815e+01 300.773 7.88414e+01 120.773 0.9308 
1 1 1 18 10 26 o 15 1.25765e+02 5.94488e+00 1.96416e+02 306.377 1.93585e+01  -2.62794e+01 0.00000e+00 0.00000e+00 1.22614e+02 306.377 7.38021e+01 126.377 0.9846 
1 1 1 18 10 28 o 2  8.84984e+01 8.10507e+00 1.10780e+02 134.055 -9.63793e+00 9.96120e+00  0.00000e+00 0.00000e+00 1.07829e+02 134.055 2.95134e+00 314.055 0.9632 
1 1 1 18 10 29 o 6  5.54797e+01 1.15646e+01 8.33896e+01 337.347 5.45853e+00  -2.27808e+00 0.00000e+00 0.00000e+00 4.59105e+01 337.347 3.74791e+01 157.347 0.9110 
1 1 1 18 10 30 o 7  5.91264e+01 1.11825e+01 6.60335e+01 29.588  4.35245e+00  2.47133e+00  0.00000e+00 0.00000e+00 6.87730e+01 29.588  2.73943e+00 29.588  0.8935 
1 1 1 18 10 31 o 14 1.29038e+02 6.40086e+00 1.57801e+02 110.503 -1.00627e+01 2.69095e+01  0.00000e+00 0.00000e+00 1.64836e+02 110.503 7.03551e+00 110.503 0.9824 
1 1 1 18 10 32 o 2  7.58469e+01 1.06106e+01 9.65118e+01 148.110 -8.15662e+00 5.07499e+00  0.00000e+00 0.00000e+00 8.56828e+01 148.110 1.08290e+01 328.110 0.9464 
1 1 1 18 10 33 o 9  3.98769e+01 1.15185e+01 6.03008e+01 294.685 1.31131e+00  -2.85296e+00 0.00000e+00 0.00000e+00 2.24423e+01 294.685 3.78585e+01 114.685 0.8198 
1 1 1 18 10 34 o 17 3.85126e+01 1.11587e+01 2.24222e+01 0.861   1.26186e+00  1.89641e-02  0.00000e+00 0.00000e+00 2.92431e+01 0.861   6.82092e+00 0.861   0.5316 
1 1 1 18 10 35 o 13 6.34816e+01 1.05406e+01 1.26558e+02 262.831 -1.50230e+00 -1.19432e+01 0.00000e+00 0.00000e+00 2.63881e+01 262.831 1.00170e+02 82.831  0.9575 
1 1 1 18 10 36 o 5  1.24845e+02 6.72898e+00 1.76078e+02 22.242  3.37936e+01  1.38200e+01  0.00000e+00 0.00000e+00 1.32778e+02 22.242  4.33003e+01 202.242 0.9862 
1 1 1 18 10 37 o 17 6.64846e+01 1.08046e+01 9.32975e+01 72.119  3.08933e+00  9.57556e+00  0.00000e+00 0.00000e+00 6.44636e+01 72.119  2.88339e+01 252.119 0.9489 
1 1 1 18 10 38 o 11 5.25235e+01 1.24524e+01 1.83889e+01 355.642 1.44241e+00  -1.09928e-01 0.00000e+00 0.00000e+00 5.78901e+01 355.642 3.95011e+01 355.642 0.5827 
1 1 1 18 10 39 o 4  3.38759e+01 1.03468e+01 3.94169e+01 113.682 -9.48601e-01 2.16282e+00  0.00000e+00 0.00000e+00 2.36235e+01 113.682 1.57934e+01 293.682 0.7491 
1 1 1 18 10 40 o 13 3.21148e+01 1.02660e+01 5.27654e+01 114.307 -1.32022e+00 2.92307e+00  0.00000e+00 0.00000e+00 1.27689e+01 114.307 3.99965e+01 294.306 0.8242 
1 1 1 18 10 41 o 16 4.35731e+01 1.11127e+01 1.44607e+01 236.766 -6.49246e-01 -9.90856e-01 0.00000e+00 0.00000e+00 4.01499e+01 236.766 2.56892e+01 236.766 0.5080 
1 1 1 18 10 42 o 16 4.81730e+01 1.16880e+01 5.90733e+01 335.308 4.97443e+00  -2.28714e+00 0.00000e+00 0.00000e+00 4.79073e+01 335.308 1.11660e+01 155.308 0.9033 
1 1 1 18 10 43 o 9  3.64672e+01 1.07391e+01 3.13584e+01 43.187  1.81662e+00  1.70514e+00  0.00000e+00 0.00000e+00 3.68898e+01 43.187  5.53142e+00 43.187  0.7641 
1 1 1 18 10 44 o 5  3.98204e+01 1.14260e+01 4.50415e+01 345.120 3.72104e+00  -9.88721e-01 0.00000e+00 0.00000e+00 3.82818e+01 345.120 6.75975e+00 165.120 0.8575 
1 1 1 18 10 45 o 11 1.01742e+02 7.81782e+00 8.30029e+01 237.009 -1.17279e+01 -1.80653e+01 0.00000e+00 0.00000e+00 1.58504e+02 237.009 7.55015e+01 237.009 0.9765 
1 1 1 18 11 0  o 19 1.15260e+02 9.90622e+00 6.17099e+01 0.000   2.93466e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.43232e+02 0.000   1.81522e+02 0.000   0.9944 
1 1 1 18 11 1  o 13 2.05654e+02 5.41546e+00 3.45536e+02 148.813 -5.12604e+01 3.10279e+01  0.00000e+00 0.00000e+00 1.97035e+02 148.813 1.48501e+02 328.813 0.9916 
1 1 1 18 11 2  o 19 1.00330e+02 7.59158e+00 1.21762e+02 238.355 -5.23360e+00 -8.49228e+00 0.00000e+00 0.00000e+00 1.31383e+02 238.355 9.62101e+00 238.355 0.9485 
1 1 1 18 11 3  o 1  9.46641e+01 7.97313e+00 6.08724e+01 98.923  -7.24160e-01 4.61209e+00  0.00000e+00 0.00000e+00 1.61967e+02 98.923  1.01095e+02 98.923  0.8851 
1 1 1 18 11 4  o 4  9.84349e+01 8.32985e+00 2.47738e+01 175.525 -1.95356e+00 1.52885e-01  0.00000e+00 0.00000e+00 1.56080e+02 175.525 1.31306e+02 175.525 0.6910 
1 1 1 18 11 5  o 4  4.32879e+01 1.15036e+01 8.48132e+01 340.179 2.59437e+00  -9.35098e-01 0.00000e+00 0.00000e+00 6.11700e+00 340.179 7.86962e+01 160.179 0.7903 
1 1 1 18 11 6  o 18 1.48936e+02 5.56747e+00 2.46978e+02 6.672   2.96819e+01  3.47202e+00  0.00000e+00 0.00000e+00 1.42000e+02 6.672   1.04978e+02 186.672 0.9831 
1 1 1 18 11 7  o 11 8.41205e+01 9.82288e+00 1.17460e+02 271.712 2.23146e-01  -7.46764e+00 0.00000e+00 0.00000e+00 9.03497e+01 271.712 2.71099e+01 91.712  0.9304 
1 1 1 18 11 8  o 19 7.43459e+01 1.15885e+01 1.90490e+01 120.374 -5.19619e-01 8.86591e-01  0.00000e+00 0.00000e+00 7.09232e+01 120.374 5.18743e+01 120.374 0.4561 
1 1 1 18 11 9  f 0  7.27762e+01 1.05985e+01 9.03464e+01 199.116 -4.58449e+00 -1.58897e+00 0.00000e+00 0.00000e+00 8.13546e+01 199.116 8.99180e+00 19.116  0.8898 
1 1 1 18 11 10 o 18 1.03620e+02 7.54948e+00 1.67012e+02 163.586 -1.63204e+01 4.80772e+00  0.00000e+00 0.00000e+00 9.93077e+01 163.586 6.77044e+01 343.586 0.9702 
1 1 1 18 11 11 o 18 5.39589e+01 1.18221e+01 3.85340e+01 301.271 9.53160e-01  -1.56945e+00 0.00000e+00 0.00000e+00 5.70061e+01 301.271 1.84721e+01 301.271 0.6690 
1 1 1 18 11 12 o 12 3.71641e+01 1.07947e+01 3.45427e+01 48.235  7.71901e-01  8.64389e-01  0.00000e+00 0.00000e+00 1.45781e+01 48.235  1.99646e+01 228.235 0.4999 
1 1 1 18 11 13 o 8  4.84830e+01 1.13554e+01 4.99338e+01 243.900 -8.58698e-01 -1.75284e+00 0.00000e+00 0.00000e+00 3.83906e+01 243.900 1.15433e+01 63.900  0.6897 
1 1 1 18 11 14 o 16 1.47703e+02 5.34469e+00 1.82834e+02 37.112  1.92921e+01  1.45969e+01  0.00000e+00 0.00000e+00 1.98707e+02 37.112  1.58728e+01 37.112  0.9791 
1 1 1 18 11 15 o 8  8.91857e+01 8.08414e+00 1.36876e+02 216.646 -8.34308e+00 -6.20654e+00 0.00000e+00 0.00000e+00 8.65237e+01 216.646 5.03518e+01 36.646  0.9506 
1 1 1 18 11 16 o 13 2.12977e+02 5.05322e+00 2.59376e+02 111.899 -2.29960e+01 5.72086e+01  0.00000e+00 0.00000e+00 2.96500e+02 111.899 3.71235e+01 111.899 0.9919 
1 1 1 18 11 17 o 7  7.61251e+01 1.00283e+01 9.03834e+01 198.153 -6.52153e+00 -2.13830e+00 0.00000e+00 0.00000e+00 9.44426e+01 198.153 4.05922e+00 198.153 0.9240 
1 1 1 18 11 18 o 8  1.31036e+02 6.37178e+00 1.66876e+02 197.248 -2.34693e+01 -7.28669e+00 0.00000e+00 0.00000e+00 1.69859e+02 197.248 2.98247e+00 197.248 0.9794 
1 1 1 18 11 19 f 0  4.36892e+01 1.09973e+01 7.15225e+01 282.262 6.61108e-01  -3.04182e+00 0.00000e+00 0.00000e+00 2.20939e+01 282.262 4.94286e+01 102.262 0.8180 
1 1 1 18 11 20 o 14 6.06277e+01 1.26294e+01 1.33613e+02 139.076 -5.58522e+00 4.84218e+00  0.00000e+00 0.00000e+00 1.37867e+01 139.076 1.19826e+02 319.076 0.9297 
1 1 1 18 11 21 o 15 8.91073e+01 9.73009e+00 1.41134e+02 30.648  1.24589e+01  7.38218e+00  0.00000e+00 0.00000e+00 8.33030e+01 30.648  5.78308e+01 210.648 0.9648 
1 1 1 18 11 22 o 17 3.49104e+01 1.11119e+01 1.07651e+02 128.065 -2.53390e+00 3.23572e+00  0.00000e+00 0.00000e+00 2.87273e+01 308.064 1.36378e+02 308.064 0.8676 
1 1 1 18 11 23 o 7  4.84433e+01 1.17935e+01 6.06001e+01 156.207 -3.03804e+00 1.33952e+00  0.00000e+00 0.00000e+00 4.41090e+01 156.207 1.64911e+01 336.207 0.8311 
1 1 1 18 11 25 o 8  4.46197e+01 1.15884e+01 7.51156e+01 156.479 -2.82737e+00 1.23058e+00  0.00000e+00 0.00000e+00 1.91792e+01 156.479 5.59364e+01 336.479 0.8160 
1 1 1 18 11 26 o 1  1.48684e+02 5.28340e+00 2.20482e+02 344.861 4.80492e+01  -1.29993e+01 0.00000e+00 0.00000e+00 1.59867e+02 344.861 6.06150e+01 164.861 0.9899 
1 1 1 18 11 27 o 19 1.42262e+02 5.46170e+00 1.84131e+02 181.709 -4.03885e+01 -1.20493e+00 0.00000e+00 0.00000e+00 1.78095e+02 181.709 6.03522e+00 1.709   0.9875 
1 1 1 18 11 28 o 11 6.32471e+01 1.04061e+01 1.42521e+02 260.556 -1.88763e+00 -1.13477e+01 0.00000e+00 0.00000e+00 1.29229e+01 260.556 1.29598e+02 80.556  0.9555 
1 1 1 18 11 29 o 18 8.79106e+01 8.63174e+00 9.78525e+01 250.932 -4.00183e+00 -1.15778e+01 0.00000e+00 0.00000e+00 1.18303e+02 250.932 2.04500e+01 250.932 0.9583 
1 1 1 18 11 30 o 11 1.93689e+02 5.22617e+00 2.21919e+02 209.897 -5.72567e+01 -3.29204e+01 0.00000e+00 0.00000e+00 2.70032e+02 209.897 4.81131e+01 209.897 0.9924 
1 1 1 18 11 31 f 0  5.55681e+01 1.10790e+01 6.55426e+01 252.726 -1.44035e+00 -4.63193e+00 0.00000e+00 0.00000e+00 6.06711e+01 252.726 4.87144e+00 72.726  0.8898 
1 1 1 18 11 32 o 10 1.16296e+02 6.71554e+00 1.34680e+02 80.549  4.42909e+00  2.66077e+01  0.00000e+00 0.00000e+00 1.55834e+02 80.549  2.11540e+01 80.549  0.9813 
1 1 1 18 11 33 f 0  9.18844e+01 7.88927e+00 6.06820e+01 149.666 -7.99044e+00 4.67563e+00  0.00000e+00 0.00000e+00 1.59590e+02 149.666 9.89084e+01 149.666 0.9443 
1 1 1 18 11 34 o 11 5.68599e+01 1.11709e+01 8.37146e+01 118.976 -3.30285e+00 5.96447e+00  0.00000e+00 0.00000e+00 4.91929e+01 118.976 3.45217e+01 298.976 0.9234 
1 1 1 18 11 35 o 18 2.27562e+02 5.10799e+00 2.26900e+02 63.287  4.65486e+01  9.24992e+01  0.00000e+00 0.00000e+00 3.44625e+02 63.287  1.17726e+02 63.287  0.9952 
1 1 1 18 11 36 o 10 4.14791e+01 1.11004e+01 6.04330e+01 66.927  1.55845e+00  3.65849e+00  0.00000e+00 0.00000e+00 2.95912e+01 66.927  3.08418e+01 246.927 0.8626 
1 1 1 18 11 37 o 11 6.23450e+01 1.08554e+01 5.92039e+01 357.845 5.89997e+00  -2.22022e-01 0.00000e+00 0.00000e+00 8.32221e+01 357.845 2.40182e+01 357.845 0.9108 
1 1 1 18 11 38 o 15 3.76562e+01 1.06465e+01 4.21205e+01 91.960  -1.01493e-01 2.96634e+00  0.00000e+00 0.00000e+00 3.39070e+01 91.960  8.21352e+00 271.960 0.8076 
1 1 1 18 11 39 o 3  6.28234e+01 1.09389e+01 9.78790e+01 244.588 -5.04143e+00 -1.06116e+01 0.00000e+00 0.00000e+00 5.18404e+01 244.588 4.60386e+01 64.588  0.9564 
1 1 1 18 11 40 o 12 5.64828e+01 1.27885e+01 8.70571e+01 331.195 7.83756e+00  -4.30962e+00 0.00000e+00 0.00000e+00 4.51125e+01 331.195 4.19446e+01 151.195 0.9423 
1 1 1 18 11 41 o 7  4.17967e+01 1.15806e+01 6.08803e+01 318.923 3.70738e+00  -3.23152e+00 0.00000e+00 0.00000e+00 3.13210e+01 318.923 2.95593e+01 138.923 0.8914 
1 1 1 18 11 42 o 10 6.35529e+01 1.14503e+01 4.09031e+01 274.820 4.54811e-01  -5.39332e+00 0.00000e+00 0.00000e+00 1.00466e+02 274.820 5.95631e+01 274.820 0.9021 
1 1 1 18 11 43 o 3  3.50666e+01 1.08837e+01 3.76509e+01 74.702  7.60728e-01  2.78108e+00  0.00000e+00 0.00000e+00 3.13509e+01 74.702  6.29996e+00 254.702 0.8010 
1 1 1 18 11 44 o 15 3.12165e+01 1.02332e+01 7.39979e+01 266.550 -3.45487e-01 -5.73105e+00 0.00000e+00 0.00000e+00 4.61359e+00 86.550  7.86115e+01 86.550  0.9081 
1 1 1 18 12 0  o 12 8.01638e+01 1.47569e+01 1.01944e+02 180.000 -3.74265e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.11804e+02 180.000 9.85939e+00 180.000 0.9989 
1 1 1 18 12 1  o 14 6.38510e+01 1.14780e+01 7.38642e+01 261.401 -6.28179e-01 -4.15418e+00 0.00000e+00 0.00000e+00 7.45585e+01 261.401 6.94326e-01 261.401 0.8708 
1 1 1 18 12 2  o 14 1.36150e+02 5.88726e+00 2.00634e+02 79.313  5.09743e+00  2.70102e+01  0.00000e+00 0.00000e+00 1.56067e+02 79.313  4.45668e+01 259.313 0.9816 
1 1 1 18 12 3  o 2  1.19685e+02 6.37580e+00 1.58769e+02 220.978 -1.43012e+01 -1.24222e+01 0.00000e+00 0.00000e+00 1.52046e+02 220.978 6.72287e+00 40.978  0.9732 
1 1 1 18 12 4  o 16 4.94476e+01 1.21510e+01 3.40631e+01 139.528 -1.02011e+00 8.70384e-01  0.00000e+00 0.00000e+00 3.90499e+01 139.528 4.98679e+00 139.528 0.5543 
1 1 1 18 12 5  o 11 2.46832e+02 4.26080e+00 3.16238e+02 336.150 6.57282e+01  -2.90581e+01 0.00000e+00 0.00000e+00 3.37346e+02 336.150 2.11078e+01 336.150 0.9930 
1 1 1 18 12 6  o 7  3.64019e+01 1.07693e+01 5.16896e+01 298.320 7.31669e-01  -1.35772e+00 0.00000e+00 0.00000e+00 7.14527e+00 298.320 4.45444e+01 118.320 0.6064 
1 1 1 18 12 7  o 12 1.03563e+02 7.52143e+00 1.99329e+02 97.840  -2.45947e+00 1.78623e+01  0.00000e+00 0.00000e+00 6.87736e+01 97.840  1.30555e+02 277.840 0.9719 
1 1 1 18 12 8  o 9  9.56189e+01 7.43136e+00 4.88076e+01 103.299 -9.35365e-01 3.95705e+00  0.00000e+00 0.00000e+00 1.71628e+02 103.299 1.22821e+02 103.299 0.8660 
1 1 1 18 12 9  o 6  1.78490e+02 4.83678e+00 2.44058e+02 155.058 -4.49154e+01 2.08889e+01  0.00000e+00 0.00000e+00 2.25922e+02 155.058 1.81356e+01 335.058 0.9899 
1 1 1 18 12 10 o 19 5.02308e+01 9.72861e+00 8.88519e+01 155.716 -4.15697e+00 1.87555e+00  0.00000e+00 0.00000e+00 2.89134e+01 155.716 5.99385e+01 335.716 0.8821 
1 1 1 18 12 11 o 17 5.67420e+01 1.14005e+01 3.83806e+01 298.477 1.00764e+00  -1.85765e+00 0.00000e+00 0.00000e+00 6.94346e+01 298.477 3.10541e+01 298.477 0.7155 
1 1 1 18 12 12 o 7  9.54304e+01 7.61949e+00 1.56272e+02 169.401 -1.55859e+01 2.91649e+00  0.00000e+00 0.00000e+00 8.87734e+01 169.401 6.74985e+01 349.401 0.9679 
1 1 1 18 12 13 o 2  8.21021e+01 8.92916e+00 1.12081e+02 4.687   9.82754e+00  8.05791e-01  0.00000e+00 0.00000e+00 9.41430e+01 4.687   1.79381e+01 184.687 0.9478 
1 1 1 18 12 14 o 1  1.00917e+02 8.08960e+00 1.02202e+02 124.405 -6.33044e+00 9.24364e+00  0.00000e+00 0.00000e+00 1.52701e+02 124.405 5.04992e+01 124.405 0.9543 
1 1 1 18 12 15 o 8  9.96705e+01 8.07080e+00 1.25947e+02 66.617  5.19558e+00  1.20160e+01  0.00000e+00 0.00000e+00 1.27269e+02 66.617  1.32169e+00 66.617  0.9610 
1 1 1 18 12 16 o 14 7.56398e+01 9.84371e+00 1.29009e+02 63.977  4.24538e+00  8.69538e+00  0.00000e+00 0.00000e+00 6.00673e+01 63.977  6.89412e+01 243.977 0.9468 
1 1 1 18 12 17 o 19 8.97111e+01 7.88649e+00 7.78096e+01 256.471 -1.99277e+00 -8.28181e+00 0.00000e+00 0.00000e+00 1.44347e+02 256.471 6.65379e+01 256.471 0.9393 
1 1 1 18 12 18 o 7  3.96927e+01 1.10576e+01 2.13585e+01 124.533 -5.30783e-01 7.71331e-01  0.00000e+00 0.00000e+00 2.28769e+01 124.533 1.51836e+00 124.533 0.4234 
1 1 1 18 12 19 f 0  6.44917e+01 9.77147e+00 1.22364e+02 278.967 1.50217e+00  -9.51945e+00 0.00000e+00 0.00000e+00 3.80784e+01 278.967 8.42858e+01 98.967  0.9466 
1 1 1 18 12 20 o 12 6.38938e+01 2.94387e+01 2.96033e+01 212.534 -8.67787e-01 -5.53565e-01 0.00000e+00 0.00000e+00 4.69545e+01 212.534 1.73512e+01 212.534 0.4567 
1 1 1 18 12 22 o 4  1.21192e+02 6.58913e+00 1.29467e+02 35.754  1.91007e+01  1.37525e+01  0.00000e+00 0.00000e+00 1.80553e+02 35.754  5.10865e+01 35.754  0.9785 
1 1 1 18 12 23 o 13 1.22267e+02 6.60802e+00 1.45386e+02 66.120  1.06740e+01  2.41104e+01  0.00000e+00 0.00000e+00 1.67519e+02 66.120  2.21332e+01 66.120  0.9809 
1 1 1 18 12 24 o 2  3.90093e+01 1.14786e+01 3.36079e+01 235.527 -9.57267e-01 -1.39423e+00 0.00000e+00 0.00000e+00 3.13977e+01 235.527 2.21027e+00 55.527  0.6400 
1 1 1 18 12 25 o 6  6.78714e+01 1.19790e+01 8.30132e+01 164.442 -6.59331e+00 1.83563e+00  0.00000e+00 0.00000e+00 7.98951e+01 164.442 3.11813e+00 344.442 0.9237 
1 1 1 18 12 26 o 7  4.97566e+01 1.37131e+01 7.11101e+01 38.880  3.09815e+00  2.49814e+00  0.00000e+00 0.00000e+00 4.01858e+01 38.880  3.09243e+01 218.880 0.8627 
1 1 1 18 12 27 o 3  7.64870e+01 1.26409e+01 9.70710e+01 241.748 -4.32013e+00 -8.03952e+00 0.00000e+00 0.00000e+00 8.96056e+01 241.748 7.46539e+00 61.748  0.9435 
1 1 1 18 12 28 o 14 5.86201e+01 1.37277e+01 1.24430e+02 12.713  8.59620e+00  1.93924e+00  0.00000e+00 0.00000e+00 1.79853e+01 12.713  1.06444e+02 192.713 0.9414 
1 1 1 18 12 29 o 3  5.16273e+01 1.27172e+01 5.26404e+01 46.697  2.58046e+00  2.73807e+00  0.00000e+00 0.00000e+00 6.08220e+01 46.697  8.18164e+00 46.697  0.8537 
1 1 1 18 12 30 o 2  3.60802e+01 1.10780e+01 1.41570e+00 270.409 5.43178e-04  -7.61327e-02 0.00000e+00 0.00000e+00 2.10847e+00 270.409 6.92762e-01 270.409 0.0380 
1 1 1 18 12 31 o 15 4.38405e+01 1.14125e+01 4.74583e+01 128.171 -1.84746e+00 2.35012e+00  0.00000e+00 0.00000e+00 4.33941e+01 128.171 4.06416e+00 308.171 0.8092 
1 1 1 18 12 32 o 6  4.52428e+01 1.10615e+01 5.31428e+01 219.355 -3.03802e+00 -2.49147e+00 0.00000e+00 0.00000e+00 4.63170e+01 219.355 6.82578e+00 39.355  0.8607 
1 1 1 18 12 33 o 13 3.85809e+01 1.11114e+01 3.84523e+01 136.761 -1.73836e+00 1.63465e+00  0.00000e+00 0.00000e+00 3.54431e+01 136.761 3.00928e+00 316.761 0.7520 
1 1 1 18 12 34 o 10 3.11073e+01 9.99370e+00 5.07455e+01 116.121 -1.17267e+00 2.39154e+00  0.00000e+00 0.00000e+00 1.10054e+01 116.121 3.97401e+01 296.120 0.7817 
1 1 1 18 12 35 o 11 7.03987e+01 1.05908e+01 6.95109e+01 162.819 -8.26307e+00 2.55483e+00  0.00000e+00 0.00000e+00 9.80924e+01 162.819 2.85815e+01 162.819 0.9403 
1 1 1 18 12 36 o 15 1.05373e+02 8.51424e+00 1.33784e+02 22.141  2.71644e+01  1.10532e+01  0.00000e+00 0.00000e+00 1.27628e+02 22.141  6.15579e+00 202.141 0.9828 
1 1 1 18 12 37 o 7  2.83165e+01 9.57566e+00 4.30318e+00 136.457 -1.81739e-01 1.72720e-01  0.00000e+00 0.00000e+00 4.55969e+00 136.457 2.56510e-01 136.457 0.1244 
1 1 1 18 12 38 o 13 5.42641e+01 1.23993e+01 7.93520e+01 131.451 -5.32020e+00 6.02374e+00  0.00000e+00 0.00000e+00 4.79796e+01 131.451 3.13724e+01 311.451 0.9355 
1 1 1 18 12 39 o 18 4.30430e+01 1.14527e+01 5.66599e+01 2.497   4.76502e+00  2.07779e-01  0.00000e+00 0.00000e+00 3.88634e+01 2.497   1.77965e+01 182.497 0.8877 
1 1 1 18 12 40 f 0  6.13004e+01 1.21233e+01 8.52214e+01 268.644 -2.48428e-01 -1.04924e+01 0.00000e+00 0.00000e+00 6.00313e+01 268.644 2.51900e+01 88.644  0.9511 
1 1 1 18 12 41 o 7  3.34894e+01 1.07319e+01 5.66008e+01 55.640  2.39806e+00  3.50746e+00  0.00000e+00 0.00000e+00 1.59377e+01 55.640  4.06630e+01 235.640 0.8725 
1 1 1 18 12 42 o 11 4.09308e+01 1.17705e+01 8.77544e+01 225.899 -5.65940e+00 -5.83993e+00 0.00000e+00 0.00000e+00 7.05332e+00 225.899 8.07011e+01 45.899  0.9363 
1 1 1 18 13 0  o 7  2.46841e+01 1.60357e+01 3.57406e+01 0.000   4.45552e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.08440e+00 180.000 4.38250e+01 180.000 0.4182 
1 1 1 18 13 1  o 16 3.66250e+01 1.06653e+01 3.75791e+01 332.868 1.26223e+00  -6.46803e-01 0.00000e+00 0.00000e+00 1.88617e+01 332.868 1.87174e+01 152.868 0.5753 
1 1 1 18 13 2  o 10 4.74156e+01 1.12035e+01 9.60329e+01 261.461 -6.85149e-01 -4.56296e+00 0.00000e+00 0.00000e+00 1.61826e+01 261.461 7.98504e+01 81.461  0.8836 
1 1 1 18 13 3  o 18 1.02056e+02 6.97728e+00 1.68242e+02 349.634 1.90821e+01  -3.49038e+00 0.00000e+00 0.00000e+00 9.79078e+01 349.634 7.03339e+01 169.634 0.9739 
1 1 1 18 13 4  o 8  1.53554e+02 6.18225e+00 1.91463e+02 70.172  1.14265e+01  3.16903e+01  0.00000e+00 0.00000e+00 2.13459e+02 70.172  2.19954e+01 70.172  0.9850 
1 1 1 18 13 5  o 19 7.53721e+01 8.98764e+00 8.79754e+01 230.314 -4.54442e+00 -5.47658e+00 0.00000e+00 0.00000e+00 9.89588e+01 230.314 1.09833e+01 230.314 0.9268 
1 1 1 18 13 6  o 6  6.77766e+01 1.02267e+01 8.49573e+01 125.810 -3.48716e+00 4.83327e+00  0.00000e+00 0.00000e+00 8.03254e+01 125.810 4.63196e+00 305.810 0.9117 
1 1 1 18 13 7  o 13 3.31664e+01 1.03470e+01 3.02969e+01 251.476 -3.18002e-01 -9.49078e-01 0.00000e+00 0.00000e+00 9.31015e+00 251.476 2.09867e+01 71.476  0.4467 
1 1 1 18 13 8  o 13 1.75724e+02 6.73447e+00 2.55575e+02 300.889 2.49239e+01  -4.16623e+01 0.00000e+00 0.00000e+00 2.09012e+02 300.889 4.65623e+01 120.889 0.9896 
1 1 1 18 13 9  o 4  1.17166e+02 6.46776e+00 2.16813e+02 59.294  1.40309e+01  2.36250e+01  0.00000e+00 0.00000e+00 9.02222e+01 59.294  1.26591e+02 239.294 0.9816 
1 1 1 18 13 10 o 14 6.60030e+01 1.05952e+01 1.07598e+02 71.635  2.18708e+00  6.58796e+00  0.00000e+00 0.00000e+00 5.52293e+01 71.635  5.23688e+01 251.635 0.9249 
1 1 1 18 13 11 f 0  1.00946e+02 7.12737e+00 1.61591e+02 158.176 -1.90068e+01 7.61128e+00  0.00000e+00 0.00000e+00 1.00771e+02 158.176 6.08197e+01 338.176 0.9753 
1 1 1 18 13 12 o 15 5.74129e+01 1.11110e+01 7.51940e+01 148.860 -4.11510e+00 2.48627e+00  0.00000e+00 0.00000e+00 6.06485e+01 148.860 1.45455e+01 328.860 0.8887 
1 1 1 18 13 13 o 17 3.44695e+01 1.04766e+01 2.99652e+01 146.011 -9.68223e-01 6.52812e-01  0.00000e+00 0.00000e+00 1.61148e+01 146.011 1.38503e+01 326.011 0.5027 
1 1 1 18 13 14 o 13 5.59915e+01 1.14345e+01 1.22916e+02 160.359 -7.54014e+00 2.69103e+00  0.00000e+00 0.00000e+00 1.61912e+01 160.359 1.06725e+02 340.359 0.9353 
1 1 1 18 13 15 o 19 4.95193e+01 1.10767e+01 7.19422e+01 156.086 -3.81295e+00 1.69078e+00  0.00000e+00 0.00000e+00 4.23270e+01 156.086 2.96152e+01 336.086 0.8698 
1 1 1 18 13 18 o 17 7.34082e+01 1.01755e+01 1.10794e+02 350.585 1.08289e+01  -1.79567e+00 0.00000e+00 0.00000e+00 7.40729e+01 350.585 3.67212e+01 170.585 0.9533 
1 1 1 18 13 19 o 4  6.97013e+01 1.26487e+01 7.48475e+01 33.168  5.31836e+00  3.47597e+00  0.00000e+00 0.00000e+00 9.38274e+01 33.168  1.89799e+01 33.168  0.9175 
1 1 1 18 13 20 o 1  5.12923e+01 1.29364e+01 6.69699e+01 306.211 2.48739e+00  -3.39717e+00 0.00000e+00 0.00000e+00 5.06844e+01 306.211 1.62855e+01 126.211 0.8712 
1 1 1 18 13 21 f 0  3.86453e+01 1.17775e+01 7.28061e+01 252.044 -1.10617e+00 -3.41327e+00 0.00000e+00 0.00000e+00 1.30836e+01 252.044 5.97225e+01 72.044  0.8456 
1 1 1 18 13 22 o 12 4.85598e+01 1.29134e+01 3.99393e+01 178.398 -2.27363e+00 6.35924e-02  0.00000e+00 0.00000e+00 5.40908e+01 178.398 1.41515e+01 178.398 0.7381 
1 1 1 18 13 23 o 12 7.37819e+01 1.03812e+01 1.15169e+02 225.793 -8.04885e+00 -8.27470e+00 0.00000e+00 0.00000e+00 6.94577e+01 225.793 4.57114e+01 45.793  0.9557 
1 1 1 18 13 24 o 6  3.46185e+01 1.06568e+01 5.63180e+01 174.347 -2.58486e+00 2.55839e-01  0.00000e+00 0.00000e+00 1.38090e+01 174.347 4.25091e+01 354.348 0.7752 
1 1 1 18 13 25 f 0  1.52264e+02 5.57663e+00 1.92294e+02 15.738  4.54715e+01  1.28139e+01  0.00000e+00 0.00000e+00 2.00530e+02 15.738  8.23679e+00 15.738  0.9894 
1 1 1 18 13 26 o 13 6.91045e+01 9.75369e+00 5.70148e+01 356.323 6.21697e+00  -3.99511e-01 0.00000e+00 0.00000e+00 1.07647e+02 356.323 5.06320e+01 356.323 0.9158 
1 1 1 18 13 27 o 7  7.41652e+01 1.00760e+01 5.87148e+01 16.776  6.52582e+00  1.96730e+00  0.00000e+00 0.00000e+00 1.19070e+02 16.776  6.03557e+01 16.776  0.9234 
1 1 1 18 13 28 o 3  3.39536e+01 1.06213e+01 1.73874e+01 272.589 4.03964e-02  -8.93309e-01 0.00000e+00 0.00000e+00 1.84593e+01 272.589 1.07192e+00 272.589 0.4077 
1 1 1 18 13 29 o 16 1.09882e+02 7.53758e+00 7.85828e+01 295.531 6.17336e+00  -1.29247e+01 0.00000e+00 0.00000e+00 1.95195e+02 295.531 1.16612e+02 295.531 0.9644 
1 1 1 18 13 30 o 16 5.98830e+01 1.18533e+01 7.35412e+01 10.696  6.80027e+00  1.28438e+00  0.00000e+00 0.00000e+00 6.91400e+01 10.696  4.40121e+00 190.696 0.9246 
1 1 1 18 13 31 o 16 6.40641e+01 1.22390e+01 8.64149e+01 14.643  8.16332e+00  2.13297e+00  0.00000e+00 0.00000e+00 6.81474e+01 14.643  1.82675e+01 194.643 0.9387 
1 1 1 18 13 32 o 2  5.25722e+01 1.33275e+01 4.15675e+01 342.700 3.01437e+00  -9.38875e-01 0.00000e+00 0.00000e+00 6.90574e+01 342.700 2.74899e+01 342.700 0.8210 
1 1 1 18 13 33 o 2  6.87047e+01 1.31377e+01 9.02803e+01 224.886 -6.83806e+00 -6.81088e+00 0.00000e+00 0.00000e+00 7.59630e+01 224.886 1.43173e+01 44.886  0.9467 
1 1 1 18 13 34 o 14 8.29389e+01 1.19211e+01 1.05099e+02 171.679 -1.51745e+01 2.21940e+00  0.00000e+00 0.00000e+00 9.92652e+01 171.679 5.83404e+00 351.679 0.9668 
1 1 1 18 13 35 o 12 7.46671e+01 1.12507e+01 5.76465e+01 131.282 -5.36555e+00 6.11135e+00  0.00000e+00 0.00000e+00 1.20004e+02 131.282 6.23572e+01 131.282 0.9363 
1 1 1 18 13 36 o 9  5.65664e+01 1.08244e+01 7.26860e+01 193.782 -8.16550e+00 -2.00298e+00 0.00000e+00 0.00000e+00 6.17969e+01 193.782 1.08891e+01 13.782  0.9385 
1 1 1 18 13 37 o 8  6.98930e+01 1.09515e+01 1.09001e+02 185.346 -1.52892e+01 -1.43086e+00 0.00000e+00 0.00000e+00 6.16508e+01 185.346 4.73497e+01 5.347   0.9669 
1 1 1 18 13 38 f 0  1.13588e+02 7.80676e+00 1.20215e+02 16.383  3.37089e+01  9.90994e+00  0.00000e+00 0.00000e+00 1.61600e+02 16.383  4.13845e+01 16.383  0.9857 
1 1 1 18 13 39 o 6  6.92536e+01 1.12474e+01 7.36826e+01 290.882 3.96328e+00  -1.03884e+01 0.00000e+00 0.00000e+00 9.20513e+01 290.882 1.83687e+01 290.882 0.9539 
1 1 1 18 13 40 o 7  3.76897e+01 1.09731e+01 4.13781e+01 24.460  3.39592e+00  1.54478e+00  0.00000e+00 0.00000e+00 3.89374e+01 24.460  2.44066e+00 204.460 0.8523 
1 1 1 18 14 0  o 17 1.62494e+02 7.11738e+00 1.21733e+02 0.000   1.29129e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.15243e+02 0.000   1.93510e+02 0.000   1.0000 
1 1 1 18 14 1  o 10 4.95527e+01 1.14859e+01 8.50882e+01 206.534 -4.14778e+00 -2.07109e+00 0.00000e+00 0.00000e+00 3.27321e+01 206.534 5.23561e+01 26.534  0.8842 
1 1 1 18 14 2  o 13 1.05704e+02 6.67313e+00 9.10774e+01 12.698  1.27704e+01  2.87746e+00  0.00000e+00 0.00000e+00 1.82051e+02 12.698  9.09739e+01 12.698  0.9610 
1 1 1 18 14 3  o 3  4.03889e+01 1.15684e+01 6.77189e+01 128.014 -1.96695e+00 2.51632e+00  0.00000e+00 0.00000e+00 2.16738e+01 128.014 4.60451e+01 308.014 0.8234 
1 1 1 18 14 4  o 6  4.22559e+01 1.10399e+01 6.28153e+01 119.001 -1.52922e+00 2.75867e+00  0.00000e+00 0.00000e+00 3.03877e+01 119.001 3.24276e+01 299.001 0.8208 
1 1 1 18 14 5  o 12 5.37550e+01 1.13111e+01 6.33536e+01 125.422 -2.31873e+00 3.26018e+00  0.00000e+00 0.00000e+00 6.13443e+01 125.422 2.00931e+00 305.421 0.8635 
1 1 1 18 14 6  o 7  1.42796e+02 5.54569e+00 1.97650e+02 118.061 -1.83708e+01 3.44615e+01  0.00000e+00 0.00000e+00 1.80819e+02 118.061 1.68309e+01 298.061 0.9871 
1 1 1 18 14 7  o 12 4.31892e+01 1.17275e+01 7.10806e+01 96.822  -4.19932e-01 3.51033e+00  0.00000e+00 0.00000e+00 2.66139e+01 96.822  4.44667e+01 276.822 0.8429 
1 1 1 18 14 11 o 14 4.70367e+01 1.22913e+01 9.19071e+01 320.504 3.07734e+00  -2.53638e+00 0.00000e+00 0.00000e+00 1.66930e+01 320.504 7.52141e+01 140.504 0.8631 
1 1 1 18 14 12 o 16 6.40581e+01 1.00202e+01 4.07716e+01 105.205 -9.36910e-01 3.44722e+00  0.00000e+00 0.00000e+00 1.03855e+02 105.205 6.30832e+01 105.205 0.8448 
1 1 1 18 14 13 o 7  5.95628e+01 1.19329e+01 4.32605e+01 187.559 -3.22931e+00 -4.28538e-01 0.00000e+00 0.00000e+00 8.83007e+01 187.559 4.50402e+01 187.559 0.8274 
1 1 1 18 14 14 o 1  5.97666e+01 1.16754e+01 8.14467e+01 319.384 4.69542e+00  -4.02680e+00 0.00000e+00 0.00000e+00 6.44015e+01 319.384 1.70452e+01 139.384 0.9152 
1 1 1 18 14 15 o 19 4.55089e+01 1.22559e+01 5.13068e+01 94.394  -2.26684e-01 2.95001e+00  0.00000e+00 0.00000e+00 4.64877e+01 94.394  4.81914e+00 274.394 0.8069 
1 1 1 18 14 16 o 12 3.89777e+01 1.15274e+01 4.83908e+01 227.601 -1.65041e+00 -1.80749e+00 0.00000e+00 0.00000e+00 3.03112e+01 227.601 1.80796e+01 47.601  0.7592 
1 1 1 18 14 17 o 16 1.65126e+02 6.12879e+00 2.24536e+02 168.810 -5.39800e+01 1.06781e+01  0.00000e+00 0.00000e+00 2.10015e+02 168.810 1.45214e+01 348.810 0.9909 
1 1 1 18 14 18 o 11 5.96689e+01 1.05377e+01 7.01748e+01 258.068 -1.11441e+00 -5.27372e+00 0.00000e+00 0.00000e+00 7.25062e+01 258.068 2.33143e+00 258.068 0.9017 
1 1 1 18 14 19 o 7  9.88741e+01 7.40045e+00 9.17413e+01 184.420 -1.36571e+01 -1.05560e+00 0.00000e+00 0.00000e+00 1.60297e+02 184.420 6.85559e+01 184.420 0.9628 
1 1 1 18 14 20 o 1  6.91914e+01 1.06220e+01 1.09662e+02 313.234 6.97902e+00  -7.42298e+00 0.00000e+00 0.00000e+00 6.40029e+01 313.234 4.56590e+01 133.234 0.9496 
1 1 1 18 14 21 o 10 1.90506e+02 4.92631e+00 2.35945e+02 326.792 6.22943e+01  -4.07758e+01 0.00000e+00 0.00000e+00 2.63321e+02 326.792 2.73761e+01 326.792 0.9933 
1 1 1 18 14 22 o 3  8.90173e+01 8.79430e+00 1.05339e+02 124.676 -8.84805e+00 1.27894e+01  0.00000e+00 0.00000e+00 1.21433e+02 124.676 1.60941e+01 124.676 0.9673 
1 1 1 18 14 23 o 15 4.27994e+01 1.14427e+01 7.92274e+01 334.793 4.51975e+00  -2.12755e+00 0.00000e+00 0.00000e+00 2.12656e+01 334.793 5.79618e+01 154.793 0.8933 
1 1 1 18 14 24 o 10 8.15452e+01 9.18661e+00 1.31532e+02 178.634 -1.74316e+01 4.15613e-01  0.00000e+00 0.00000e+00 7.61501e+01 178.634 5.53817e+01 358.634 0.9709 
1 1 1 18 14 25 f 0  6.33564e+01 1.18800e+01 4.83631e+01 172.586 -4.32092e+00 5.62240e-01  0.00000e+00 0.00000e+00 9.69146e+01 172.586 4.85515e+01 172.586 0.8760 
1 1 1 18 14 26 o 19 3.69361e+01 1.15691e+01 4.47504e+01 33.122  1.97796e+00  1.29051e+00  0.00000e+00 0.00000e+00 2.75163e+01 33.122  1.72341e+01 213.122 0.7491 
1 1 1 18 14 27 o 11 4.77162e+01 1.21586e+01 5.09031e+01 123.367 -2.07603e+00 3.15240e+00  0.00000e+00 0.00000e+00 5.53202e+01 123.367 4.41714e+00 123.367 0.8543 
1 1 1 18 14 28 o 5  4.23974e+01 1.23738e+01 3.90936e+01 39.428  1.94727e+00  1.60108e+00  0.00000e+00 0.00000e+00 4.54762e+01 39.428  6.38253e+00 39.428  0.7673 
1 1 1 18 14 29 o 4  5.04762e+01 1.20650e+01 5.25446e+01 338.002 3.79848e+00  -1.53450e+00 0.00000e+00 0.00000e+00 6.09677e+01 338.002 8.42312e+00 338.002 0.8671 
1 1 1 18 14 30 o 17 6.89586e+01 1.15057e+01 9.33438e+01 200.609 -1.02566e+01 -3.85699e+00 0.00000e+00 0.00000e+00 7.66924e+01 200.609 1.66513e+01 20.609  0.9532 
1 1 1 18 14 31 o 11 7.83577e+01 1.02234e+01 7.47568e+01 290.770 4.02445e+00  -1.06109e+01 0.00000e+00 0.00000e+00 1.18282e+02 290.770 4.35252e+01 290.770 0.9549 
1 1 1 18 14 32 f 0  4.29197e+01 1.15783e+01 4.17721e+01 177.431 -3.34910e+00 1.50267e-01  0.00000e+00 0.00000e+00 5.02188e+01 177.431 8.44670e+00 177.431 0.8330 
1 1 1 18 14 33 o 2  5.23078e+01 1.18497e+01 5.29004e+01 93.844  -3.60452e-01 5.36447e+00  0.00000e+00 0.00000e+00 6.80824e+01 93.844  1.51820e+01 93.844  0.9014 
1 1 1 18 14 34 o 6  4.05932e+01 1.18797e+01 2.62497e+01 308.132 1.26872e+00  -1.61618e+00 0.00000e+00 0.00000e+00 4.71278e+01 308.132 2.08782e+01 308.132 0.7066 
1 1 1 18 14 35 o 17 2.96011e+01 9.83472e+00 5.50843e+01 112.066 -1.42807e+00 3.52290e+00  0.00000e+00 0.00000e+00 9.50526e+00 112.066 4.55791e+01 292.066 0.8554 
1 1 1 18 14 36 o 9  3.35802e+01 1.06799e+01 4.90945e+01 92.447  -1.60410e-01 3.75346e+00  0.00000e+00 0.00000e+00 2.37870e+01 92.447  2.53074e+01 272.447 0.8535 
1 1 1 18 14 37 f 0  4.67937e+01 1.23390e+01 1.50382e+01 141.809 -1.11394e+00 8.76308e-01  0.00000e+00 0.00000e+00 5.31710e+01 141.809 3.81328e+01 141.809 0.5750 
1 1 1 18 14 38 o 19 4.52049e+01 1.21946e+01 2.78359e+01 97.891  -3.80860e-01 2.74805e+00  0.00000e+00 0.00000e+00 6.26073e+01 97.891  3.47714e+01 97.891  0.7918 
1 1 1 18 15 0  o 18 3.38546e+01 1.96094e+01 2.17457e+01 180.000 -4.29722e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.52866e+01 180.000 6.45909e+00 0.000   0.4051 
1 1 1 18 15 1  o 6  7.77937e+01 9.43861e+00 1.49772e+02 84.845  1.45919e+00  1.61745e+01  0.00000e+00 0.00000e+00 5.37117e+01 84.845  9.60606e+01 264.845 0.9687 
1 1 1 18 15 2  o 2  3.46764e+01 1.07042e+01 2.63827e+01 221.461 -9.11330e-01 -8.05178e-01 0.00000e+00 0.00000e+00 2.20876e+01 221.461 4.29510e+00 41.461  0.5177 
1 1 1 18 15 3  o 15 4.65360e+01 1.18387e+01 5.77328e+01 328.894 2.92079e+00  -1.76235e+00 0.00000e+00 0.00000e+00 4.73210e+01 328.894 1.04119e+01 148.894 0.8363 
1 1 1 18 15 4  o 9  7.83808e+01 9.23069e+00 6.79367e+01 112.411 -2.92444e+00 7.09151e+00  0.00000e+00 0.00000e+00 1.29258e+02 112.411 6.13213e+01 112.411 0.9323 
1 1 1 18 15 5  o 18 3.32182e+01 1.03634e+01 4.62303e+01 320.484 1.63312e+00  -1.34701e+00 0.00000e+00 0.00000e+00 1.79318e+01 320.484 2.82985e+01 140.484 0.7161 
1 1 1 18 15 6  o 19 1.99058e+02 5.10529e+00 1.97196e+02 128.840 -3.98754e+01 4.95234e+01  0.00000e+00 0.00000e+00 3.35249e+02 128.840 1.38054e+02 128.840 0.9921 
1 1 1 18 15 7  o 6  6.16429e+01 1.21576e+01 2.99087e+01 356.746 2.34980e+00  -1.33573e-01 0.00000e+00 0.00000e+00 9.43508e+01 356.746 6.44422e+01 356.746 0.7481 
1 1 1 18 15 8  o 2  4.31550e+01 1.19759e+01 6.39655e+01 135.024 -2.50487e+00 2.50276e+00  0.00000e+00 0.00000e+00 3.40245e+01 135.024 2.99410e+01 315.024 0.8432 
1 1 1 18 15 9  o 11 7.33573e+01 1.11469e+01 1.11755e+02 106.072 -3.00112e+00 1.04170e+01  0.00000e+00 0.00000e+00 7.63037e+01 106.072 3.54512e+01 286.072 0.9527 
1 1 1 18 15 10 o 13 9.12390e+01 8.78669e+00 9.44480e+01 323.241 9.58360e+00  -7.15865e+00 0.00000e+00 0.00000e+00 1.40376e+02 323.241 4.59277e+01 323.241 0.9572 
1 1 1 18 15 11 o 10 4.99003e+01 1.15722e+01 2.08237e+01 30.671  1.11743e+00  6.62726e-01  0.00000e+00 0.00000e+00 5.18859e+01 30.671  3.10622e+01 30.671  0.5424 
1 1 1 18 15 12 o 19 9.94075e+01 7.13313e+00 1.09415e+02 14.208  1.52387e+01  3.85831e+00  0.00000e+00 0.00000e+00 1.48724e+02 14.208  3.93088e+01 14.208  0.9677 
1 1 1 18 15 13 o 13 3.71433e+01 1.04668e+01 1.08873e+02 216.643 -4.44984e+00 -3.30989e+00 0.00000e+00 0.00000e+00 1.87952e+01 36.643  1.27668e+02 36.643  0.9047 
1 1 1 18 15 14 o 18 4.00772e+01 1.06793e+01 3.26490e+01 310.290 1.14490e+00  -1.35050e+00 0.00000e+00 0.00000e+00 3.77726e+01 310.290 5.12358e+00 310.290 0.6562 
1 1 1 18 15 15 o 10 1.14745e+02 6.29093e+00 1.17274e+02 163.703 -2.10354e+01 6.14984e+00  0.00000e+00 0.00000e+00 1.82493e+02 163.703 6.52190e+01 163.703 0.9769 
1 1 1 18 15 16 f 0  5.47102e+01 1.13834e+01 6.17088e+01 248.671 -1.66254e+00 -4.25786e+00 0.00000e+00 0.00000e+00 6.72171e+01 248.671 5.50826e+00 248.671 0.8824 
1 1 1 18 15 17 o 8  5.20318e+01 9.66717e+00 9.73798e+00 264.919 -7.24807e-02 -8.15217e-01 0.00000e+00 0.00000e+00 4.27669e+01 264.919 3.30289e+01 264.919 0.3784 
1 1 1 18 15 18 o 17 9.75550e+01 7.57571e+00 1.27918e+02 280.349 3.89744e+00  -2.13428e+01 0.00000e+00 0.00000e+00 1.25794e+02 280.349 2.12403e+00 100.349 0.9767 
1 1 1 18 15 19 o 1  4.21240e+01 1.15857e+01 5.32851e+01 330.862 2.91005e+00  -1.62226e+00 0.00000e+00 0.00000e+00 3.98685e+01 330.862 1.34166e+01 150.862 0.8318 
1 1 1 18 15 20 o 13 5.19052e+01 1.23916e+01 6.30001e+01 276.972 5.63927e-01  -4.61123e+00 0.00000e+00 0.00000e+00 5.88448e+01 276.972 4.15525e+00 96.972  0.8845 
1 1 1 18 15 21 o 3  9.24957e+01 8.83805e+00 1.41070e+02 197.794 -2.01527e+01 -6.46820e+00 0.00000e+00 0.00000e+00 9.81291e+01 197.794 4.29406e+01 17.795  0.9761 
1 1 1 18 15 22 o 3  3.67402e+01 1.11359e+01 1.34970e+01 314.756 5.11576e-01  -5.15957e-01 0.00000e+00 0.00000e+00 1.96589e+01 314.756 6.16191e+00 314.756 0.3413 
1 1 1 18 15 23 o 4  3.27008e+01 1.05927e+01 5.15093e+01 194.399 -2.75378e+00 -7.07017e-01 0.00000e+00 0.00000e+00 1.73383e+01 194.399 3.41710e+01 14.399  0.7977 
1 1 1 18 15 24 o 8  4.73803e+01 1.23305e+01 4.69338e+01 58.304  1.79413e+00  2.90542e+00  0.00000e+00 0.00000e+00 5.74654e+01 58.304  1.05316e+01 58.304  0.8365 
1 1 1 18 15 25 o 14 3.81934e+01 1.11015e+01 5.89932e+01 314.112 2.56139e+00  -2.64207e+00 0.00000e+00 0.00000e+00 2.63358e+01 314.112 3.26574e+01 134.112 0.8500 
1 1 1 18 15 26 f 0  1.19901e+02 7.03267e+00 1.29415e+02 154.232 -2.68361e+01 1.29548e+01  0.00000e+00 0.00000e+00 1.79727e+02 154.232 5.03117e+01 154.232 0.9831 
1 1 1 18 15 27 o 3  2.91330e+01 9.64563e+00 1.95238e+01 295.393 4.56133e-01  -9.60909e-01 0.00000e+00 0.00000e+00 1.61909e+01 295.393 3.33292e+00 115.393 0.4685 
1 1 1 18 15 28 o 4  3.05128e+01 9.96916e+00 1.23698e+01 0.510   7.43508e-01  6.61905e-03  0.00000e+00 0.00000e+00 1.53688e+01 0.510   2.99900e+00 0.510   0.3482 
1 1 1 18 15 29 f 0  5.93095e+01 1.18181e+01 7.77088e+01 122.403 -4.57033e+00 7.20089e+00  0.00000e+00 0.00000e+00 6.73801e+01 122.403 1.03287e+01 302.403 0.9394 
1 1 1 18 15 30 o 18 4.57698e+01 1.16929e+01 3.99862e+01 238.794 -1.86608e+00 -3.08057e+00 0.00000e+00 0.00000e+00 6.06202e+01 238.794 2.06340e+01 238.794 0.8462 
1 1 1 18 15 31 o 11 5.99390e+01 1.19657e+01 7.13912e+01 97.249  -1.04018e+00 8.17758e+00  0.00000e+00 0.00000e+00 7.41421e+01 97.249  2.75093e+00 97.249  0.9372 
1 1 1 18 15 32 o 16 4.34467e+01 1.21547e+01 6.18316e+01 155.729 -4.97730e+00 2.24434e+00  0.00000e+00 0.00000e+00 3.95366e+01 155.729 2.22950e+01 335.729 0.9031 
1 1 1 18 15 33 o 14 4.47955e+01 1.20011e+01 3.40979e+01 63.720  1.37720e+00  2.78902e+00  0.00000e+00 0.00000e+00 6.02888e+01 63.720  2.61908e+01 63.720  0.8178 
1 1 1 18 15 34 o 14 5.99004e+01 1.23669e+01 4.16266e+01 20.972  4.75281e+00  1.82179e+00  0.00000e+00 0.00000e+00 9.61631e+01 20.972  5.45365e+01 20.972  0.8954 
1 1 1 18 15 35 o 11 5.56669e+01 1.29627e+01 5.75290e+01 218.631 -4.82904e+00 -3.85927e+00 0.00000e+00 0.00000e+00 7.29455e+01 218.631 1.54166e+01 218.631 0.9151 
1 1 1 18 16 0  o 13 1.33422e+02 1.11738e+01 1.72379e+02 180.000 -1.73043e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.89493e+02 180.000 1.71138e+01 180.000 1.0000 
1 1 1 18 16 1  o 8  1.42479e+02 7.16798e+00 1.40218e+02 296.833 1.38800e+01  -2.74381e+01 0.00000e+00 0.00000e+00 2.39866e+02 296.833 9.96483e+01 296.833 0.9836 
1 1 1 18 16 2  o 17 4.71505e+01 1.24190e+01 1.14187e+02 274.908 5.83401e-01  -6.79359e+00 0.00000e+00 0.00000e+00 3.88589e+00 274.908 1.10301e+02 94.908  0.9234 
1 1 1 18 16 3  o 11 3.81863e+01 1.14889e+01 3.80244e+01 315.610 1.36499e+00  -1.33623e+00 0.00000e+00 0.00000e+00 3.26299e+01 315.610 5.39456e+00 135.610 0.6825 
1 1 1 18 16 4  o 15 7.38972e+01 1.15455e+01 6.48391e+01 114.664 -2.72517e+00 5.93469e+00  0.00000e+00 0.00000e+00 1.19403e+02 114.664 5.45636e+01 114.664 0.9199 
1 1 1 18 16 5  o 10 3.79835e+01 1.11965e+01 7.55633e+01 219.167 -3.07285e+00 -2.50325e+00 0.00000e+00 0.00000e+00 1.31546e+01 219.167 6.24088e+01 39.167  0.8621 
1 1 1 18 16 6  o 4  3.81642e+01 1.08087e+01 2.91696e+01 142.026 -1.22891e+00 9.59221e-01  0.00000e+00 0.00000e+00 3.39120e+01 142.026 4.74237e+00 142.026 0.6104 
1 1 1 18 16 7  o 4  3.42293e+01 1.04858e+01 1.44482e+01 41.218  5.26510e-01  4.61217e-01  0.00000e+00 0.00000e+00 1.61382e+01 41.218  1.68995e+00 41.218  0.3302 
1 1 1 18 16 8  o 3  2.97299e+01 9.68634e+00 2.46833e+01 161.098 -1.01088e+00 3.46138e-01  0.00000e+00 0.00000e+00 1.31213e+01 161.098 1.15620e+01 341.098 0.4701 
1 1 1 18 16 9  o 4  6.59656e+01 1.09097e+01 9.11704e+01 348.524 9.09010e+00  -1.84549e+00 0.00000e+00 0.00000e+00 7.72154e+01 348.524 1.39550e+01 168.524 0.9445 
1 1 1 18 16 10 o 2  3.36017e+01 1.03943e+01 2.63284e+01 3.285   1.38933e+00  7.97350e-02  0.00000e+00 0.00000e+00 2.52297e+01 3.285   1.09877e+00 183.285 0.5682 
1 1 1 18 16 11 o 19 3.14286e+01 9.97978e+00 5.95128e+01 256.393 -7.02070e-01 -2.90055e+00 0.00000e+00 0.00000e+00 9.07331e+00 256.393 5.04395e+01 76.393  0.8088 
1 1 1 18 16 12 o 16 5.85488e+01 1.13223e+01 3.80930e+01 129.500 -2.12389e+00 2.57644e+00  0.00000e+00 0.00000e+00 9.32451e+01 129.500 5.51521e+01 129.500 0.8322 
1 1 1 18 16 13 o 6  6.14755e+01 1.11838e+01 6.44834e+01 135.918 -4.32331e+00 4.18692e+00  0.00000e+00 0.00000e+00 8.65818e+01 135.918 2.20984e+01 135.918 0.9126 
1 1 1 18 16 14 o 1  5.42635e+01 1.22048e+01 8.74839e+01 128.889 -4.29510e+00 5.32497e+00  0.00000e+00 0.00000e+00 4.73195e+01 128.889 4.01643e+01 308.889 0.9237 
1 1 1 18 16 15 o 6  7.64763e+01 1.03422e+01 1.28520e+02 209.444 -1.31991e+01 -7.45074e+00 0.00000e+00 0.00000e+00 7.00014e+01 209.444 5.85184e+01 29.444  0.9664 
1 1 1 18 16 16 o 17 3.68128e+01 1.11025e+01 3.71133e+01 251.536 -6.41949e-01 -1.92259e+00 0.00000e+00 0.00000e+00 3.22227e+01 251.536 4.89060e+00 71.536  0.7021 
1 1 1 18 16 17 o 9  5.19178e+01 1.09815e+01 7.46453e+01 317.347 4.78003e+00  -4.40358e+00 0.00000e+00 0.00000e+00 5.32252e+01 317.347 2.14201e+01 137.347 0.9195 
1 1 1 18 16 18 o 4  7.23664e+01 1.04093e+01 1.35395e+02 244.575 -7.21098e+00 -1.51689e+01 0.00000e+00 0.00000e+00 5.23015e+01 244.575 8.30939e+01 64.575  0.9698 
1 1 1 18 16 19 o 2  4.86698e+01 1.18401e+01 6.63817e+01 313.660 3.53430e+00  -3.70363e+00 0.00000e+00 0.00000e+00 5.00764e+01 313.660 1.63053e+01 133.660 0.8961 
1 1 1 18 16 20 o 17 2.93774e+01 9.63459e+00 5.39935e+01 120.624 -1.41305e+00 2.38701e+00  0.00000e+00 0.00000e+00 8.01447e+00 120.624 4.59790e+01 300.624 0.7918 
1 1 1 18 16 21 o 4  9.19090e+01 8.04389e+00 1.31877e+02 100.863 -4.28817e+00 2.23465e+01  0.00000e+00 0.00000e+00 1.07268e+02 100.863 2.46093e+01 280.863 0.9778 
1 1 1 18 16 22 o 10 5.02521e+01 1.18862e+01 6.82319e+01 125.429 -3.36096e+00 4.72431e+00  0.00000e+00 0.00000e+00 5.31140e+01 125.429 1.51179e+01 305.429 0.9091 
1 1 1 18 16 23 o 4  2.79512e+01 9.39409e+00 4.10801e+01 70.498  7.30205e-01  2.06175e+00  0.00000e+00 0.00000e+00 1.27346e+01 70.498  2.83456e+01 250.497 0.7262 
1 1 1 18 16 24 o 18 9.69259e+01 7.88496e+00 9.18806e+01 277.919 2.69731e+00  -1.93919e+01 0.00000e+00 0.00000e+00 1.57916e+02 277.919 6.60355e+01 277.919 0.9741 
1 1 1 18 16 25 o 12 5.54028e+01 1.18793e+01 5.39595e+01 256.922 -1.25468e+00 -5.40088e+00 0.00000e+00 0.00000e+00 7.83618e+01 256.922 2.44024e+01 256.922 0.9046 
1 1 1 18 16 26 o 15 3.42056e+01 1.06243e+01 2.67023e+01 313.415 1.24134e+00  -1.31201e+00 0.00000e+00 0.00000e+00 3.30601e+01 313.415 6.35778e+00 313.415 0.6632 
1 1 1 18 16 27 o 16 5.81901e+01 1.19271e+01 3.24206e+01 165.747 -3.54605e+00 9.00762e-01  0.00000e+00 0.00000e+00 9.74216e+01 165.747 6.50010e+01 165.747 0.8490 
1 1 1 18 16 28 o 2  1.03082e+02 7.94548e+00 1.04847e+02 78.991  4.98474e+00  2.56234e+01  0.00000e+00 0.00000e+00 1.60209e+02 78.991  5.53618e+01 78.991  0.9807 
1 1 1 18 16 29 o 12 3.59669e+01 1.10088e+01 3.39519e+01 170.831 -2.63728e+00 4.25660e-01  0.00000e+00 0.00000e+00 3.96546e+01 170.831 5.70268e+00 170.831 0.7824 
1 1 1 18 16 30 o 3  4.83519e+01 1.06443e+01 3.21092e+01 150.612 -3.11595e+00 1.75489e+00  0.00000e+00 0.00000e+00 7.44835e+01 150.612 4.23743e+01 150.612 0.8450 
1 1 1 18 16 31 o 5  6.25596e+01 1.16548e+01 7.85339e+01 113.962 -4.22936e+00 9.51643e+00  0.00000e+00 0.00000e+00 7.62271e+01 113.962 2.30673e+00 293.962 0.9507 
1 1 1 18 16 32 o 16 5.42782e+01 1.24538e+01 9.06991e+01 275.630 1.05248e+00  -1.06773e+01 0.00000e+00 0.00000e+00 4.34207e+01 275.630 4.72783e+01 95.630  0.9522 
1 1 1 18 17 0  o 14 2.05891e+01 1.45302e+01 5.64377e+01 0.000   9.06870e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.60630e+01 180.000 7.25008e+01 180.000 0.7196 
1 1 1 18 17 1  o 4  4.71917e+01 1.17461e+01 7.84872e+01 100.713 -1.00521e+00 5.31345e+00  0.00000e+00 0.00000e+00 3.75086e+01 100.713 4.09785e+01 280.713 0.9021 
1 1 1 18 17 2  o 18 5.92243e+01 1.09996e+01 8.62515e+01 206.173 -6.92350e+00 -3.40273e+00 0.00000e+00 0.00000e+00 6.42521e+01 206.173 2.19994e+01 26.173  0.9327 
1 1 1 18 17 3  o 9  1.22718e+02 8.08202e+00 1.61035e+02 315.956 2.42028e+01  -2.34085e+01 0.00000e+00 0.00000e+00 1.68239e+02 315.956 7.20439e+00 315.956 0.9850 
1 1 1 18 17 4  o 13 4.41104e+01 1.16078e+01 3.62027e+01 325.632 1.93197e+00  -1.32127e+00 0.00000e+00 0.00000e+00 5.34629e+01 325.632 1.72602e+01 325.632 0.7465 
1 1 1 18 17 5  o 14 5.69581e+01 1.21447e+01 5.88393e+01 266.806 -2.66494e-01 -4.77562e+00 0.00000e+00 0.00000e+00 7.88536e+01 266.806 2.00143e+01 266.806 0.8881 
1 1 1 18 17 6  o 11 5.50231e+01 1.26253e+01 1.00249e+02 33.521  6.40354e+00  4.24172e+00  0.00000e+00 0.00000e+00 3.93394e+01 33.521  6.09099e+01 213.521 0.9324 
1 1 1 18 17 7  o 9  1.13386e+02 9.30472e+00 1.30195e+02 187.325 -2.35920e+01 -3.03247e+00 0.00000e+00 0.00000e+00 1.71574e+02 187.325 4.13786e+01 187.325 0.9787 
1 1 1 18 17 8  o 12 6.57795e+01 1.24173e+01 1.12669e+02 132.786 -7.89775e+00 8.53290e+00  0.00000e+00 0.00000e+00 5.82163e+01 132.786 5.44523e+01 312.786 0.9560 
1 1 1 18 17 9  o 17 5.65514e+01 1.24855e+01 3.91547e+01 233.879 -2.03525e+00 -2.78885e+00 0.00000e+00 0.00000e+00 8.96220e+01 233.879 5.04673e+01 233.879 0.8386 
1 1 1 18 17 10 o 10 4.99243e+01 1.20863e+01 5.05461e+01 98.104  -5.64804e-01 3.96653e+00  0.00000e+00 0.00000e+00 6.64585e+01 98.104  1.59123e+01 98.104  0.8638 
1 1 1 18 17 11 o 11 7.16547e+01 1.06883e+01 1.04810e+02 78.183  2.61254e+00  1.24869e+01  0.00000e+00 0.00000e+00 8.16557e+01 78.183  2.31544e+01 258.183 0.9600 
1 1 1 18 17 12 o 2  5.03977e+01 1.17506e+01 1.01801e+02 51.489  5.11360e+00  6.42609e+00  0.00000e+00 0.00000e+00 2.60804e+01 51.489  7.57202e+01 231.489 0.9370 
1 1 1 18 17 13 o 11 5.54885e+01 1.16071e+01 4.99905e+01 343.697 4.27597e+00  -1.25066e+00 0.00000e+00 0.00000e+00 8.19532e+01 343.697 3.19627e+01 343.697 0.8790 
1 1 1 18 17 14 o 5  3.99818e+01 1.13241e+01 6.64296e+01 90.653  -4.90635e-02 4.30777e+00  0.00000e+00 0.00000e+00 2.80345e+01 90.653  3.83951e+01 270.653 0.8744 
1 1 1 18 17 15 f 0  5.50561e+01 1.18470e+01 6.36984e+01 201.389 -5.18418e+00 -2.03056e+00 0.00000e+00 0.00000e+00 7.07753e+01 201.389 7.07691e+00 201.389 0.9051 
1 1 1 18 17 16 o 19 5.98523e+01 1.15031e+01 7.05817e+01 225.326 -4.77439e+00 -4.82912e+00 0.00000e+00 0.00000e+00 7.83223e+01 225.326 7.74057e+00 225.326 0.9231 
1 1 1 18 17 17 f 0  3.57240e+01 1.05989e+01 4.96854e+01 56.608  1.77177e+00  2.68780e+00  0.00000e+00 0.00000e+00 2.96283e+01 56.608  2.00571e+01 236.607 0.8250 
1 1 1 18 17 18 o 6  8.92571e+01 8.61721e+00 1.09902e+02 281.842 4.00022e+00  -1.90784e+01 0.00000e+00 0.00000e+00 1.23710e+02 281.842 1.38079e+01 281.842 0.9740 
1 1 1 18 17 19 o 14 1.03631e+02 7.57226e+00 8.50137e+01 34.160  1.63991e+01  1.11279e+01  0.00000e+00 0.00000e+00 1.85908e+02 34.160  1.00895e+02 34.160  0.9744 
1 1 1 18 17 20 o 11 5.74399e+01 1.21449e+01 7.16685e+01 255.406 -1.90363e+00 -7.31132e+00 0.00000e+00 0.00000e+00 7.16001e+01 255.406 6.84335e-02 75.406  0.9313 
1 1 1 18 17 21 o 11 3.86257e+01 1.11411e+01 1.57700e+01 8.667   1.16573e+00  1.77703e-01  0.00000e+00 0.00000e+00 3.65154e+01 8.667   2.07454e+01 8.667   0.5063 
1 1 1 18 17 22 o 5  4.82200e+01 1.19355e+01 7.68869e+01 246.148 -2.92711e+00 -6.62038e+00 0.00000e+00 0.00000e+00 4.25451e+01 246.148 3.43418e+01 66.148  0.9281 
1 1 1 18 17 23 o 18 5.79913e+01 1.20120e+01 7.66468e+01 259.095 -1.62472e+00 -8.43328e+00 0.00000e+00 0.00000e+00 6.85210e+01 259.095 8.12578e+00 79.095  0.9398 
1 1 1 18 17 24 o 1  4.00276e+01 1.16036e+01 2.11655e+01 109.087 -5.47200e-01 1.58138e+00  0.00000e+00 0.00000e+00 4.65207e+01 109.087 2.53552e+01 109.087 0.6362 
1 1 1 18 17 25 o 10 6.01573e+01 1.15808e+01 8.38357e+01 12.594  1.04188e+01  2.32769e+00  0.00000e+00 0.00000e+00 6.80635e+01 12.594  1.57722e+01 192.594 0.9519 
1 1 1 18 17 26 o 2  1.21182e+02 7.23974e+00 1.50822e+02 68.422  1.91334e+01  4.83805e+01  0.00000e+00 0.00000e+00 1.66809e+02 68.422  1.59862e+01 68.422  0.9903 
1 1 1 18 17 27 o 6  3.95474e+01 1.13460e+01 5.45627e+01 80.600  7.74293e-01  4.67701e+00  0.00000e+00 0.00000e+00 3.80666e+01 80.600  1.64960e+01 260.600 0.8870 
1 1 1 18 17 28 o 14 4.80492e+01 1.26436e+01 5.66106e+01 263.780 -5.84637e-01 -5.36464e+00 0.00000e+00 0.00000e+00 5.75424e+01 263.780 9.31769e-01 263.780 0.9018 
1 1 1 18 17 29 o 11 5.54583e+01 1.27302e+01 5.56204e+01 201.028 -6.14113e+00 -2.36086e+00 0.00000e+00 0.00000e+00 7.85339e+01 201.028 2.29135e+01 201.028 0.9205 
1 1 1 18 18 0  o 4  1.06247e+02 1.99018e+01 2.91672e+02 0.000   1.35880e+01  0.00000e+00  0.00000e+00 0.00000e+00 7.06528e-01 180.000 2.92379e+02 180.000 1.0000 
1 1 1 18 18 1  o 19 9.51737e+01 1.29395e+01 1.29753e+02 270.000 -6.88299e-16 -1.12408e+01 0.00000e+00 0.00000e+00 1.30876e+02 270.000 1.12319e+00 270.000 1.0000 
1 1 1 18 18 2  o 7  7.63906e+01 1.96219e+01 1.65278e+02 0.000   9.03717e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.38878e+01 0.000   1.21390e+02 180.000 1.0000 
1 1 1 18 18 3  o 13 2.16562e+01 1.51547e+01 6.49908e+00 270.000 -7.27046e-18 -1.18736e-01 0.00000e+00 0.00000e+00 5.07154e-01 270.000 5.99193e+00 90.000  0.1182 
1 1 1 18 18 4  o 5  1.62439e+02 8.65101e+00 1.35209e+02 180.000 -2.25291e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.09334e+02 180.000 1.74125e+02 180.000 1.0000 
1 1 1 18 18 5  o 6  3.53014e+01 1.99976e+01 6.04677e+00 270.000 -9.19598e-18 -1.50182e-01 0.00000e+00 0.00000e+00 8.34842e+00 270.000 2.30165e+00 270.000 0.1491 
1 1 1 18 18 6  o 12 3.08842e+01 1.88446e+01 5.55909e+01 180.000 -1.35191e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.82588e+01 180.000 3.73321e+01 0.000   0.8745 
1 1 1 18 18 7  o 17 2.56352e+01 1.67943e+01 6.64127e+01 90.000  8.89314e-17  1.45236e+00  0.00000e+00 0.00000e+00 3.63176e+00 270.000 7.00445e+01 270.000 0.8962 
1 1 1 18 18 8  o 13 4.53140e+01 2.12353e+01 4.55384e+01 0.000   1.46833e+00  0.00000e+00  0.00000e+00 0.00000e+00 6.57483e+01 0.000   2.02099e+01 0.000   0.8993 
1 1 1 18 18 9  o 15 6.52737e+01 1.90709e+01 5.23929e+01 90.000  1.62460e-16  2.65317e+00  0.00000e+00 0.00000e+00 1.23982e+02 90.000  7.15892e+01 90.000  0.9901 
1 1 1 18 18 10 o 18 1.91603e+01 1.36942e+01 5.25279e+00 180.000 -9.56815e-02 0.00000e+00  0.00000e+00 0.00000e+00 2.69000e-01 0.000   5.52179e+00 0.000   0.0954 
1 1 1 18 18 11 o 3  5.90734e+01 2.23059e+01 3.92969e+01 90.000  1.01493e-16  1.65750e+00  0.00000e+00 0.00000e+00 1.10353e+02 90.000  7.10563e+01 90.000  0.9299 
1 1 1 18 18 12 o 15 1.13817e+02 1.21084e+01 8.22087e+01 0.000   1.01024e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.27558e+02 0.000   1.45349e+02 0.000   1.0000 
1 1 1 18 18 13 o 17 2.49787e+01 1.67509e+01 2.57375e+01 270.000 -3.69356e-17 -6.03204e-01 0.00000e+00 0.00000e+00 1.08877e+01 270.000 1.48498e+01 90.000  0.5393 
1 1 1 18 18 14 o 16 5.90495e+01 2.15899e+01 6.09045e+01 180.000 -2.72145e+00 0.00000e+00  0.00000e+00 0.00000e+00 9.80640e+01 180.000 3.71595e+01 180.000 0.9914 
1 1 1 18 18 15 o 11 3.31110e+01 1.97717e+01 6.71609e+01 270.000 -1.11311e-16 -1.81784e+00 0.00000e+00 0.00000e+00 1.80265e+01 270.000 4.91344e+01 90.000  0.9486 
1 1 1 18 18 16 o 13 4.50027e+01 2.07136e+01 1.90395e+01 0.000   7.04580e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.49801e+01 0.000   3.59406e+01 0.000   0.6073 
1 1 1 18 18 17 o 9  2.13977e+01 1.48365e+01 9.92944e+00 270.000 -1.38777e-17 -2.26641e-01 0.00000e+00 0.00000e+00 2.96695e+00 270.000 6.96249e+00 90.000  0.2228 
1 1 1 18 18 18 o 5  4.64671e+01 2.08193e+01 8.90598e+01 0.000   3.37226e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.61326e+01 0.000   5.29272e+01 180.000 0.9976 
1 1 1 18 18 19 f 0  5.33074e+01 2.07176e+01 3.08568e+01 90.000  8.21620e-17  1.34181e+00  0.00000e+00 0.00000e+00 9.44914e+01 90.000  6.36346e+01 90.000  0.8721 
1 1 1 18 18 20 o 19 2.60275e+01 1.69552e+01 4.60655e+01 180.000 -1.23861e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.31384e+01 180.000 3.29271e+01 0.000   0.8451 
1 1 1 18 18 21 o 2  4.63302e+01 2.09572e+01 1.76025e+01 270.000 -4.36103e-17 -7.12210e-01 0.00000e+00 0.00000e+00 5.85917e+01 270.000 4.09892e+01 270.000 0.6121 
1 1 1 18 18 22 o 15 1.75241e+01 1.26583e+01 3.43987e+01 180.000 -7.77727e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.78313e+00 0.000   3.81818e+01 0.000   0.6514 
1 1 1 18 18 23 o 14 2.80517e+01 1.77225e+01 5.99000e+01 90.000  1.03341e-16  1.68769e+00  0.00000e+00 0.00000e+00 1.02216e+01 90.000  4.96784e+01 270.000 0.9339 
1 1 1 18 18 24 o 18 3.07313e+01 1.85797e+01 1.53045e+01 0.000   4.89112e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.19265e+01 0.000   6.62199e+00 0.000   0.4535 
1 1 1 18 18 25 o 17 2.27114e+01 1.66623e+01 2.85180e+01 270.000 -4.52804e-17 -7.39484e-01 0.00000e+00 0.00000e+00 9.55308e+00 270.000 1.89649e+01 90.000  0.6288 
1 1 1 19 0  1  o 7  2.53989e+01 1.74497e+01 1.02356e+02 315.000 4.08026e-01  -4.08026e-01 0.00000e+00 0.00000e+00 6.76003e+01 135.000 1.69956e+02 135.000 0.5205 
1 1 1 19 0  2  o 8  2.85154e+02 7.56276e+00 3.66598e+02 0.000   2.49797e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.82967e+02 0.000   1.63687e+01 0.000   1.0000 
1 1 1 19 0  3  o 3  3.39437e+01 2.17795e+01 1.51969e+01 45.000  7.69413e-02  7.69413e-02  0.00000e+00 0.00000e+00 5.52840e+00 225.000 2.07253e+01 225.000 0.1084 
1 1 1 19 0  4  o 9  1.81176e+02 9.44312e+00 1.52579e+02 90.000  3.98724e-16  6.51166e+00  0.00000e+00 0.00000e+00 3.23419e+02 90.000  1.70839e+02 90.000  1.0000 
1 1 1 19 0  5  o 17 3.21444e+02 6.56005e+00 3.98177e+02 315.000 2.15563e+01  -2.15563e+01 0.00000e+00 0.00000e+00 4.46017e+02 315.000 4.78395e+01 315.000 1.0000 
1 1 1 19 0  6  o 1  3.72761e+02 6.48027e+00 5.18951e+02 180.000 -4.59048e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.59549e+02 180.000 5.94017e+01 0.000   1.0000 
1 1 1 19 0  7  o 5  3.54145e+01 2.06418e+01 1.17885e+01 225.000 -6.96193e-02 -6.96193e-02 0.00000e+00 0.00000e+00 2.67028e+00 45.000  1.44588e+01 45.000  0.0981 
1 1 1 19 0  8  o 13 2.49870e+01 1.71526e+01 6.91176e+01 90.000  2.58775e-17  4.22612e-01  0.00000e+00 0.00000e+00 4.29700e+01 270.000 1.12088e+02 270.000 0.3991 
1 1 1 19 0  9  o 17 5.61674e+01 2.34154e+01 1.10508e+02 315.000 9.88224e-01  -9.88224e-01 0.00000e+00 0.00000e+00 1.96969e+01 315.000 9.08114e+01 135.000 0.8848 
1 1 1 19 0  10 o 14 1.90951e+02 8.57415e+00 2.81204e+02 0.000   1.39684e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.18662e+02 0.000   6.25420e+01 180.000 1.0000 
1 1 1 19 0  11 o 19 2.45222e+01 1.68335e+01 1.30867e+02 45.000  6.28160e-01  6.28160e-01  0.00000e+00 0.00000e+00 8.52934e+01 225.000 2.16160e+02 225.000 0.7106 
1 1 1 19 0  12 o 8  3.42032e+01 2.01931e+01 4.26471e+00 270.000 -2.35032e-18 -3.83837e-02 0.00000e+00 0.00000e+00 8.36183e-01 90.000  5.10089e+00 90.000  0.0384 
1 1 1 19 0  13 o 6  1.71845e+01 1.25609e+01 4.55863e+01 315.000 1.58204e-01  -1.58204e-01 0.00000e+00 0.00000e+00 3.57157e+01 135.000 8.13019e+01 135.000 0.2201 
1 1 1 19 0  14 o 4  2.39777e+02 7.27040e+00 2.26727e+02 0.000   1.50249e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.98361e+02 0.000   1.71634e+02 0.000   1.0000 
1 1 1 19 0  15 o 11 1.01193e+02 1.24918e+01 5.84756e+01 225.000 -1.10437e+00 -1.10437e+00 0.00000e+00 0.00000e+00 1.82792e+02 225.000 1.24316e+02 225.000 0.9157 
1 1 1 19 0  16 o 9  2.46479e+02 6.96353e+00 3.13985e+02 270.000 -1.74548e-15 -2.85059e+01 0.00000e+00 0.00000e+00 3.26913e+02 270.000 1.29278e+01 270.000 1.0000 
1 1 1 19 0  17 o 6  1.85079e+02 7.86050e+00 2.39744e+02 315.000 1.13656e+01  -1.13656e+01 0.00000e+00 0.00000e+00 2.40817e+02 315.000 1.07329e+00 315.000 1.0000 
1 1 1 19 0  18 o 11 2.26118e+01 1.56334e+01 1.23347e+02 180.000 -9.64835e-01 0.00000e+00  0.00000e+00 0.00000e+00 7.95889e+01 0.000   2.02936e+02 0.000   0.7464 
1 1 1 19 0  19 o 15 2.86390e+02 6.72702e+00 2.67898e+02 225.000 -2.03683e+01 -2.03683e+01 0.00000e+00 0.00000e+00 4.73411e+02 225.000 2.05513e+02 225.000 1.0000 
1 1 1 19 0  20 o 17 2.68172e+02 6.43243e+00 2.92622e+02 90.000  1.82464e-15  2.97986e+01  0.00000e+00 0.00000e+00 4.00364e+02 90.000  1.07742e+02 90.000  1.0000 
1 1 1 19 0  21 o 8  1.51649e+02 8.60575e+00 2.48210e+02 135.000 -9.82574e+00 9.82574e+00  0.00000e+00 0.00000e+00 1.42977e+02 135.000 1.05233e+02 315.000 1.0000 
1 1 1 19 0  22 o 16 1.14403e+02 1.07725e+01 1.39174e+02 0.000   5.83668e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.55381e+02 0.000   1.62070e+01 0.000   1.0000 
1 1 1 19 0  23 o 18 7.65113e+01 1.64460e+01 7.69276e+01 45.000  1.53791e+00  1.53791e+00  0.00000e+00 0.00000e+00 1.14678e+02 45.000  3.77500e+01 45.000  0.9745 
1 1 1 19 0  24 o 10 1.16377e+02 1.04829e+01 9.80607e+01 270.000 -2.75752e-16 -4.50338e+00 0.00000e+00 0.00000e+00 2.00324e+02 270.000 1.02263e+02 270.000 0.9998 
1 1 1 19 0  25 o 5  3.10469e+01 1.88085e+01 6.65635e-01 135.000 -4.96081e-03 4.96081e-03  0.00000e+00 0.00000e+00 1.08226e-01 315.000 7.73861e-01 315.000 0.0070 
1 1 1 19 0  26 o 2  3.80805e+01 2.03585e+01 5.79584e+01 180.000 -8.85015e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.09770e+01 180.000 4.69814e+01 0.000   0.7089 
1 1 1 19 0  27 o 19 2.00413e+02 7.00314e+00 1.97347e+02 45.000  1.22406e+01  1.22406e+01  0.00000e+00 0.00000e+00 3.13244e+02 45.000  1.15897e+02 45.000  1.0000 
1 1 1 19 0  28 f 0  2.88010e+01 1.79960e+01 7.09706e+01 90.000  5.72494e-17  9.34954e-01  0.00000e+00 0.00000e+00 1.73210e+01 270.000 8.82916e+01 270.000 0.7329 
1 1 1 19 0  29 o 15 2.99942e+01 1.83100e+01 6.94888e+01 135.000 -6.61357e-01 6.61357e-01  0.00000e+00 0.00000e+00 1.37415e+01 315.000 8.32303e+01 315.000 0.7331 
1 1 1 19 0  30 f 0  9.17211e+01 1.21498e+01 5.57816e+01 0.000   2.64838e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.73867e+02 0.000   1.18085e+02 0.000   0.9900 
1 1 1 19 0  31 o 7  2.05092e+02 7.30536e+00 2.20336e+02 225.000 -1.67255e+01 -1.67255e+01 0.00000e+00 0.00000e+00 2.96974e+02 225.000 7.66383e+01 225.000 1.0000 
1 1 1 19 0  32 o 18 2.93864e+01 1.82643e+01 1.42345e+01 270.000 -1.29631e-17 -2.11703e-01 0.00000e+00 0.00000e+00 1.18507e+00 270.000 1.30495e+01 90.000  0.2086 
1 1 1 19 0  33 f 0  1.58788e+02 8.43339e+00 1.79958e+02 135.000 -1.30391e+01 1.30391e+01  0.00000e+00 0.00000e+00 2.18351e+02 135.000 3.83924e+01 135.000 1.0000 
1 1 1 19 0  35 o 15 1.26155e+02 9.54003e+00 1.40032e+02 45.000  8.90767e+00  8.90767e+00  0.00000e+00 0.00000e+00 1.74570e+02 45.000  3.45383e+01 45.000  1.0000 
1 1 1 19 0  36 o 9  1.25723e+02 8.65384e+00 1.53261e+02 270.000 -8.66518e-16 -1.41513e+01 0.00000e+00 0.00000e+00 1.59304e+02 270.000 6.04350e+00 270.000 1.0000 
1 1 1 19 0  37 o 18 2.11163e+01 1.44342e+01 2.43302e+01 135.000 -2.26394e-01 2.26394e-01  0.00000e+00 0.00000e+00 8.12473e+00 315.000 3.24549e+01 315.000 0.3097 
1 1 1 19 0  38 o 8  2.81213e+01 1.73775e+01 8.09759e+01 180.000 -1.38304e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.97303e+01 0.000   1.00706e+02 0.000   0.8816 
1 1 1 19 0  39 o 18 4.19360e+01 2.00967e+01 9.94019e+01 45.000  1.70295e+00  1.70295e+00  0.00000e+00 0.00000e+00 2.19186e+00 45.000  9.72101e+01 225.000 0.9839 
1 1 1 19 0  40 o 3  2.42912e+01 1.61856e+01 6.32744e+00 90.000  6.74842e-18  1.10210e-01  0.00000e+00 0.00000e+00 2.15102e-01 90.000  6.11233e+00 270.000 0.1098 
1 1 1 19 0  41 o 9  5.32634e+01 2.04279e+01 5.37004e+01 135.000 -1.24683e+00 1.24683e+00  0.00000e+00 0.00000e+00 6.90981e+01 135.000 1.53977e+01 135.000 0.9429 
1 1 1 19 0  42 o 16 2.24982e+01 1.52995e+01 1.99958e+01 0.000   3.60723e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.03778e+00 180.000 2.10336e+01 180.000 0.3459 
1 1 1 19 0  43 o 13 1.24091e+02 9.41083e+00 1.75700e+02 225.000 -1.41087e+01 -1.41087e+01 0.00000e+00 0.00000e+00 1.25535e+02 225.000 5.01647e+01 45.000  1.0000 
1 1 1 19 0  44 o 10 3.45308e+01 1.93869e+01 7.60498e+01 90.000  1.19749e-16  1.95565e+00  0.00000e+00 0.00000e+00 4.18357e+00 90.000  7.18663e+01 270.000 0.9608 
1 1 1 19 0  45 o 9  6.36183e+01 1.87168e+01 1.21306e+02 315.000 4.39639e+00  -4.39639e+00 0.00000e+00 0.00000e+00 3.19600e+01 315.000 8.93464e+01 135.000 1.0000 
1 1 1 19 0  46 o 14 8.06671e+01 1.44427e+01 9.44175e+01 0.000   7.36884e+00  0.00000e+00  0.00000e+00 0.00000e+00 9.91620e+01 0.000   4.74450e+00 0.000   1.0000 
1 1 1 19 0  47 o 12 2.51746e+01 1.65265e+01 5.41518e+00 225.000 -9.17362e-02 -9.17362e-02 0.00000e+00 0.00000e+00 2.34750e+00 225.000 3.06768e+00 45.000  0.1290 
1 1 1 19 0  48 o 2  3.72827e+01 1.96469e+01 2.99894e+01 90.000  6.12398e-17  1.00012e+00  0.00000e+00 0.00000e+00 3.76036e+01 90.000  7.61426e+00 90.000  0.7616 
1 1 1 19 0  49 o 13 1.99449e+01 1.38736e+01 1.68671e+01 315.000 2.71705e-01  -2.71705e-01 0.00000e+00 0.00000e+00 4.55100e-01 315.000 1.64120e+01 135.000 0.3664 
1 1 1 19 0  50 o 13 2.45286e+01 1.66706e+01 5.57390e+01 0.000   1.52317e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.09788e+00 180.000 5.88369e+01 180.000 0.9092 
1 1 1 19 1  0  o 13 1.27387e+02 1.05945e+01 6.72532e+01 180.000 -2.01131e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.55920e+02 180.000 1.88667e+02 180.000 0.9648 
1 1 1 19 1  1  o 14 1.81637e+02 6.40335e+00 1.84235e+02 27.169  1.41056e+01  7.23958e+00  0.00000e+00 0.00000e+00 2.78037e+02 27.169  9.38022e+01 27.169  0.9679 
1 1 1 19 1  2  o 2  1.29073e+02 8.24033e+00 1.17833e+02 357.918 7.07498e+00  -2.57146e-01 0.00000e+00 0.00000e+00 1.96531e+02 357.918 7.86973e+01 357.918 0.9264 
1 1 1 19 1  3  o 13 2.21165e+02 5.82183e+00 2.61612e+02 342.539 2.61901e+01  -8.23802e+00 0.00000e+00 0.00000e+00 3.09019e+02 342.539 4.74067e+01 342.539 0.9816 
1 1 1 19 1  4  o 10 1.84834e+02 6.54174e+00 1.00816e+02 215.485 -7.14211e+00 -5.09162e+00 0.00000e+00 0.00000e+00 3.56277e+02 215.485 2.55461e+02 215.485 0.9411 
1 1 1 19 1  5  o 10 3.34017e+02 4.92057e+00 3.18962e+02 224.475 -3.60810e+01 -3.54255e+01 0.00000e+00 0.00000e+00 5.49658e+02 224.475 2.30696e+02 224.475 0.9901 
1 1 1 19 1  6  o 15 1.74956e+02 6.27032e+00 1.71865e+02 166.918 -1.55183e+01 3.60595e+00  0.00000e+00 0.00000e+00 2.72804e+02 166.918 1.00939e+02 166.918 0.9681 
1 1 1 19 1  7  o 3  8.29063e+01 1.08999e+01 1.27289e+02 354.673 5.25358e+00  -4.89844e-01 0.00000e+00 0.00000e+00 6.83700e+01 354.673 5.89187e+01 174.673 0.8994 
1 1 1 19 1  8  o 17 1.01625e+02 9.47200e+00 1.77334e+02 261.900 -1.28791e+00 -9.04952e+00 0.00000e+00 0.00000e+00 7.41197e+01 261.900 1.03215e+02 81.900  0.9436 
1 1 1 19 1  9  o 6  1.83759e+02 6.16412e+00 1.98866e+02 26.385  1.70964e+01  8.48121e+00  0.00000e+00 0.00000e+00 2.69845e+02 26.385  7.09784e+01 26.385  0.9734 
1 1 1 19 1  10 o 6  7.06181e+01 1.27161e+01 6.64263e+01 288.767 7.22399e-01  -2.12599e+00 0.00000e+00 0.00000e+00 6.93228e+01 288.767 2.89648e+00 288.767 0.7342 
1 1 1 19 1  11 o 10 7.09316e+01 1.17913e+01 7.73743e+01 345.017 2.93599e+00  -7.85756e-01 0.00000e+00 0.00000e+00 7.34427e+01 345.017 3.93156e+00 165.017 0.8129 
1 1 1 19 1  12 f 0  9.56759e+01 9.31041e+00 1.61222e+02 82.570  1.13989e+00  8.74031e+00  0.00000e+00 0.00000e+00 7.41544e+01 82.570  8.70680e+01 262.570 0.9414 
1 1 1 19 1  13 f 0  1.90651e+02 5.64853e+00 1.99939e+02 315.260 1.59990e+01  -1.58542e+01 0.00000e+00 0.00000e+00 2.86553e+02 315.260 8.66134e+01 315.260 0.9775 
1 1 1 19 1  14 o 5  2.43055e+02 4.93120e+00 2.97174e+02 310.813 2.60859e+01  -3.02075e+01 0.00000e+00 0.00000e+00 3.28558e+02 310.813 3.13839e+01 310.813 0.9874 
1 1 1 19 1  15 o 4  1.23216e+02 7.31761e+00 1.66121e+02 191.302 -1.07574e+01 -2.14988e+00 0.00000e+00 0.00000e+00 1.39749e+02 191.302 2.63720e+01 11.302  0.9533 
1 1 1 19 1  16 o 4  2.45650e+02 4.92810e+00 3.68066e+02 66.380  2.66417e+01  6.09220e+01  0.00000e+00 0.00000e+00 2.65944e+02 66.380  1.02122e+02 246.380 0.9925 
1 1 1 19 1  17 f 0  4.85995e+01 1.24259e+01 1.00365e+02 100.469 -5.74402e-01 3.10867e+00  0.00000e+00 0.00000e+00 3.28138e+00 100.469 9.70832e+01 280.469 0.8212 
1 1 1 19 1  18 o 7  5.79418e+01 1.25896e+01 4.29709e+01 68.939  5.98618e-01  1.55453e+00  0.00000e+00 0.00000e+00 5.23614e+01 68.939  9.39053e+00 68.939  0.6345 
1 1 1 19 1  19 o 14 9.11699e+01 9.18759e+00 6.27532e+01 76.476  9.46238e-01  3.93403e+00  0.00000e+00 0.00000e+00 1.41472e+02 76.476  7.87191e+01 76.476  0.8653 
1 1 1 19 1  20 o 18 1.61028e+02 5.84181e+00 1.60132e+02 246.583 -7.66922e+00 -1.77084e+01 0.00000e+00 0.00000e+00 2.45111e+02 246.583 8.49791e+01 246.583 0.9737 
1 1 1 19 1  21 o 16 1.62010e+02 5.86753e+00 2.05515e+02 264.685 -2.33895e+00 -2.51397e+01 0.00000e+00 0.00000e+00 2.04093e+02 264.685 1.42240e+00 84.685  0.9800 
1 1 1 19 1  22 o 1  4.27143e+01 1.19870e+01 4.23137e+01 271.295 2.76767e-02  -1.22394e+00 0.00000e+00 0.00000e+00 1.49088e+01 271.295 2.74049e+01 91.295  0.5202 
1 1 1 19 1  23 o 2  5.67365e+01 1.05576e+01 8.10378e+01 36.017  2.80780e+00  2.04123e+00  0.00000e+00 0.00000e+00 4.13924e+01 36.017  3.96454e+01 216.017 0.8396 
1 1 1 19 1  24 o 13 1.75377e+02 5.45458e+00 2.10645e+02 26.210  2.61377e+01  1.28672e+01  0.00000e+00 0.00000e+00 2.31396e+02 26.210  2.07510e+01 26.210  0.9827 
1 1 1 19 1  25 o 12 1.66885e+02 5.59973e+00 1.76338e+02 148.365 -1.94436e+01 1.19782e+01  0.00000e+00 0.00000e+00 2.41347e+02 148.365 6.50091e+01 148.365 0.9779 
1 1 1 19 1  26 o 14 4.02793e+01 1.13642e+01 5.81579e+01 205.365 -1.84274e+00 -8.73621e-01 0.00000e+00 0.00000e+00 1.42751e+01 205.365 4.38828e+01 25.365  0.7041 
1 1 1 19 1  27 f 0  1.16596e+02 6.88907e+00 1.84221e+02 154.820 -1.65673e+01 7.78895e+00  0.00000e+00 0.00000e+00 1.04640e+02 154.820 7.95813e+01 334.820 0.9723 
1 1 1 19 1  28 o 7  4.74761e+01 1.20147e+01 4.53736e+01 230.224 -1.28554e+00 -1.54427e+00 0.00000e+00 0.00000e+00 3.90215e+01 230.224 6.35212e+00 50.224  0.6993 
1 1 1 19 1  29 o 4  1.13505e+02 6.90323e+00 1.42875e+02 302.527 9.05100e+00  -1.41924e+01 0.00000e+00 0.00000e+00 1.36264e+02 302.527 6.61127e+00 122.527 0.9698 
1 1 1 19 1  30 o 19 5.47130e+01 1.18131e+01 1.02753e+02 340.696 5.05144e+00  -1.76941e+00 0.00000e+00 0.00000e+00 2.19282e+01 340.696 8.08249e+01 160.696 0.9010 
1 1 1 19 1  31 o 15 1.42027e+02 5.84835e+00 2.10485e+02 225.188 -2.18093e+01 -2.19530e+01 0.00000e+00 0.00000e+00 1.41966e+02 225.188 6.85190e+01 45.188  0.9837 
1 1 1 19 1  32 o 6  4.01668e+01 1.07695e+01 5.42654e+01 169.455 -2.31631e+00 4.31167e-01  0.00000e+00 0.00000e+00 2.13621e+01 169.455 3.29033e+01 349.455 0.7484 
1 1 1 19 1  33 o 13 9.52166e+01 8.53445e+00 1.15338e+02 14.232  1.29413e+01  3.28233e+00  0.00000e+00 0.00000e+00 1.14413e+02 14.232  9.24487e-01 194.232 0.9618 
1 1 1 19 1  34 f 0  4.30774e+01 1.98889e+01 7.05418e+01 98.088  -2.97631e-01 2.09429e+00  0.00000e+00 0.00000e+00 6.59680e+00 98.088  6.39450e+01 278.088 0.7158 
1 1 1 19 1  35 o 3  1.60404e+02 5.86348e+00 1.80418e+02 38.511  3.29070e+01  2.61858e+01  0.00000e+00 0.00000e+00 2.14863e+02 38.511  3.44455e+01 38.511  0.9880 
1 1 1 19 1  36 o 16 1.01184e+02 7.45563e+00 1.11835e+02 149.071 -1.37848e+01 8.25954e+00  0.00000e+00 0.00000e+00 1.31800e+02 149.071 1.99648e+01 149.071 0.9684 
1 1 1 19 1  37 o 14 9.58579e+01 7.84929e+00 1.10694e+02 271.879 4.63507e-01  -1.41316e+01 0.00000e+00 0.00000e+00 1.18344e+02 271.879 7.64940e+00 271.879 0.9640 
1 1 1 19 1  38 o 16 8.88469e+01 7.75755e+00 4.59834e+01 241.973 -2.69665e+00 -5.06594e+00 0.00000e+00 0.00000e+00 1.53355e+02 241.973 1.07372e+02 241.973 0.9081 
1 1 1 19 1  39 o 8  4.00518e+01 1.14894e+01 6.16260e+01 212.743 -2.97435e+00 -1.91263e+00 0.00000e+00 0.00000e+00 2.15138e+01 212.743 4.01122e+01 32.743  0.8430 
1 1 1 19 1  40 o 1  4.97494e+01 1.10637e+01 5.92442e+01 91.794  -1.34195e-01 4.28523e+00  0.00000e+00 0.00000e+00 4.74292e+01 91.794  1.18150e+01 271.794 0.8737 
1 1 1 19 1  41 o 7  1.24934e+02 6.50184e+00 1.60655e+02 142.893 -2.63130e+01 1.99056e+01  0.00000e+00 0.00000e+00 1.40210e+02 142.893 2.04450e+01 322.893 0.9847 
1 1 1 19 1  42 o 1  9.45907e+01 8.10825e+00 8.15890e+01 232.241 -8.41417e+00 -1.08634e+01 0.00000e+00 0.00000e+00 1.40357e+02 232.241 5.87678e+01 232.241 0.9629 
1 1 1 19 1  43 o 13 7.69378e+01 9.91510e+00 9.72883e+01 265.323 -9.96507e-01 -1.21795e+01 0.00000e+00 0.00000e+00 8.16934e+01 265.323 1.55949e+01 85.323  0.9582 
1 1 1 19 1  44 o 15 3.36555e+01 1.06305e+01 2.91608e+01 242.049 -7.91325e-01 -1.49132e+00 0.00000e+00 0.00000e+00 2.28854e+01 242.049 6.27536e+00 62.049  0.6393 
1 1 1 19 1  45 o 8  9.81298e+01 8.01931e+00 1.13195e+02 294.731 9.53147e+00  -2.06930e+01 0.00000e+00 0.00000e+00 1.18002e+02 294.731 4.80692e+00 294.731 0.9778 
1 1 1 19 1  46 o 11 3.52964e+01 1.07890e+01 6.30907e+01 68.853  1.51080e+00  3.90569e+00  0.00000e+00 0.00000e+00 1.06420e+01 68.853  5.24487e+01 248.853 0.8704 
1 1 1 19 1  47 o 9  4.35144e+01 1.15968e+01 6.89256e+01 162.922 -5.47848e+00 1.68310e+00  0.00000e+00 0.00000e+00 2.55211e+01 162.922 4.34046e+01 342.922 0.9080 
1 1 1 19 1  48 o 12 1.06113e+02 7.07859e+00 1.32149e+02 301.940 1.90580e+01  -3.05707e+01 0.00000e+00 0.00000e+00 1.16942e+02 301.940 1.52067e+01 121.940 0.9860 
1 1 1 19 1  49 o 13 6.88633e+01 1.07455e+01 9.10658e+01 15.415  1.31171e+01  3.61672e+00  0.00000e+00 0.00000e+00 6.60732e+01 15.415  2.49925e+01 195.415 0.9625 
1 1 1 19 1  50 o 8  4.71968e+01 1.24652e+01 5.04936e+01 15.856  4.89323e+00  1.38984e+00  0.00000e+00 0.00000e+00 4.92626e+01 15.856  1.23100e+00 195.856 0.8954 
1 1 1 19 2  0  o 3  1.26817e+02 1.10661e+01 1.95752e+02 180.000 -5.77575e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.37845e+02 180.000 5.79067e+01 0.000   1.0000 
1 1 1 19 2  1  o 2  8.55194e+01 1.16784e+01 2.09588e+02 271.928 2.68162e-01  -7.96639e+00 0.00000e+00 0.00000e+00 7.44088e-01 271.928 2.08843e+02 91.928  0.9350 
1 1 1 19 2  2  o 14 2.22534e+02 6.07689e+00 2.63103e+02 318.105 2.05563e+01  -1.84408e+01 0.00000e+00 0.00000e+00 3.11493e+02 318.105 4.83900e+01 318.105 0.9817 
1 1 1 19 2  3  o 13 3.46837e+02 5.20350e+00 2.65961e+02 233.966 -2.57050e+01 -3.53364e+01 0.00000e+00 0.00000e+00 6.35570e+02 233.966 3.69609e+02 233.966 0.9885 
1 1 1 19 2  4  o 12 1.50692e+02 7.71737e+00 1.68522e+02 343.862 1.12984e+01  -3.26915e+00 0.00000e+00 0.00000e+00 2.10379e+02 343.862 4.18568e+01 343.862 0.9565 
1 1 1 19 2  5  f 0  3.13521e+02 5.63682e+00 4.62648e+02 104.811 -1.97139e+01 7.45577e+01  0.00000e+00 0.00000e+00 3.55847e+02 104.811 1.06801e+02 284.811 0.9935 
1 1 1 19 2  6  f 0  2.42974e+02 5.56522e+00 3.22992e+02 169.830 -4.09378e+01 7.34391e+00  0.00000e+00 0.00000e+00 3.07461e+02 169.830 1.55312e+01 349.830 0.9879 
1 1 1 19 2  7  o 14 2.09981e+02 5.80092e+00 2.43209e+02 86.044  1.85548e+00  2.68306e+01  0.00000e+00 0.00000e+00 2.97650e+02 86.044  5.44414e+01 86.044  0.9812 
1 1 1 19 2  8  o 7  2.39302e+02 5.42271e+00 3.31921e+02 155.553 -3.79962e+01 1.72735e+01  0.00000e+00 0.00000e+00 2.88280e+02 155.553 4.36410e+01 335.553 0.9879 
1 1 1 19 2  9  o 4  8.24087e+01 1.17803e+01 1.22470e+02 150.933 -4.28753e+00 2.38321e+00  0.00000e+00 0.00000e+00 7.00401e+01 150.933 5.24301e+01 330.933 0.8911 
1 1 1 19 2  10 o 14 9.78158e+01 9.95836e+00 1.22299e+02 162.243 -6.50634e+00 2.08351e+00  0.00000e+00 0.00000e+00 1.14333e+02 162.243 7.96585e+00 342.243 0.9236 
1 1 1 19 2  11 o 18 1.91930e+02 5.90284e+00 1.62917e+02 35.772  1.51152e+01  1.08900e+01  0.00000e+00 0.00000e+00 3.25672e+02 35.772  1.62755e+02 35.772  0.9728 
1 1 1 19 2  12 o 10 2.91650e+02 4.79787e+00 3.79510e+02 338.182 6.13182e+01  -2.45476e+01 0.00000e+00 0.00000e+00 3.77154e+02 338.182 2.35604e+00 158.182 0.9924 
1 1 1 19 2  13 o 3  1.44985e+02 6.55744e+00 2.14312e+02 207.294 -1.51104e+01 -7.79701e+00 0.00000e+00 0.00000e+00 1.53004e+02 207.294 6.13087e+01 27.294  0.9701 
1 1 1 19 2  14 o 12 1.00980e+02 8.58950e+00 5.44920e+01 330.071 2.53079e+00  -1.45696e+00 0.00000e+00 0.00000e+00 1.57257e+02 330.071 1.02765e+02 330.071 0.8039 
1 1 1 19 2  15 o 6  6.20398e+01 1.15756e+01 7.68244e+01 325.390 2.62178e+00  -1.80929e+00 0.00000e+00 0.00000e+00 5.61626e+01 325.390 2.06617e+01 145.390 0.8228 
1 1 1 19 2  16 o 1  6.43742e+01 1.24269e+01 7.88005e+01 232.830 -1.99545e+00 -2.63179e+00 0.00000e+00 0.00000e+00 6.02255e+01 232.830 1.85750e+01 52.830  0.8301 
1 1 1 19 2  17 o 12 9.92693e+01 8.73872e+00 1.29561e+02 326.590 7.77776e+00  -5.13043e+00 0.00000e+00 0.00000e+00 1.14080e+02 326.590 1.54816e+01 146.590 0.9447 
1 1 1 19 2  18 o 17 1.28958e+02 7.07628e+00 1.47797e+02 178.967 -1.40045e+01 2.52425e-01  0.00000e+00 0.00000e+00 1.74559e+02 178.967 2.67617e+01 178.967 0.9636 
1 1 1 19 2  19 o 16 1.21383e+02 7.31874e+00 1.51147e+02 222.828 -9.95196e+00 -9.22451e+00 0.00000e+00 0.00000e+00 1.51413e+02 222.828 2.65846e-01 222.828 0.9624 
1 1 1 19 2  20 o 5  9.00529e+01 9.28395e+00 6.04763e+01 335.745 3.52174e+00  -1.58683e+00 0.00000e+00 0.00000e+00 1.39306e+02 335.745 7.88301e+01 335.745 0.8580 
1 1 1 19 2  21 o 14 1.40490e+02 6.45676e+00 2.18444e+02 160.452 -2.16748e+01 7.69592e+00  0.00000e+00 0.00000e+00 1.36190e+02 160.452 8.22538e+01 340.452 0.9780 
1 1 1 19 2  22 o 14 1.83807e+02 5.16802e+00 1.79756e+02 220.638 -1.88242e+01 -1.61559e+01 0.00000e+00 0.00000e+00 2.84129e+02 220.638 1.04372e+02 220.638 0.9796 
1 1 1 19 2  23 o 17 8.69802e+01 9.82493e+00 9.75924e+01 349.400 6.36400e+00  -1.19103e+00 0.00000e+00 0.00000e+00 1.07973e+02 349.400 1.03805e+01 349.400 0.9192 
1 1 1 19 2  24 o 15 8.10899e+01 9.46660e+00 9.06134e+01 96.280  -5.95046e-01 5.40705e+00  0.00000e+00 0.00000e+00 9.72132e+01 96.280  6.59975e+00 96.280  0.9027 
1 1 1 19 2  25 o 13 4.00233e+01 1.14436e+01 4.48531e+01 91.398  -3.83691e-02 1.57235e+00  0.00000e+00 0.00000e+00 1.80337e+01 91.398  2.68194e+01 271.398 0.6136 
1 1 1 19 2  26 o 7  2.16218e+02 4.75299e+00 2.75165e+02 2.577   5.84428e+01  2.63069e+00  0.00000e+00 0.00000e+00 2.72527e+02 2.577   2.63825e+00 182.577 0.9914 
1 1 1 19 2  27 o 18 1.07819e+02 7.37685e+00 1.54055e+02 191.849 -1.36920e+01 -2.87272e+00 0.00000e+00 0.00000e+00 1.10779e+02 191.849 4.32767e+01 11.849  0.9636 
1 1 1 19 2  28 f 0  7.02318e+01 1.06713e+01 2.08673e+01 67.051  5.50915e-01  1.30109e+00  0.00000e+00 0.00000e+00 8.16275e+01 67.051  6.07602e+01 67.051  0.5739 
1 1 1 19 2  29 o 17 6.53261e+01 1.15325e+01 1.05555e+02 355.484 6.66262e+00  -5.26281e-01 0.00000e+00 0.00000e+00 4.72114e+01 355.484 5.83437e+01 175.484 0.9218 
1 1 1 19 2  30 f 0  1.44645e+02 6.04954e+00 1.83652e+02 219.392 -2.14455e+01 -1.76103e+01 0.00000e+00 0.00000e+00 1.75703e+02 219.392 7.94905e+00 39.392  0.9818 
1 1 1 19 2  31 o 12 1.51087e+02 5.68804e+00 1.96617e+02 266.613 -2.16701e+00 -3.66111e+01 0.00000e+00 0.00000e+00 1.79456e+02 266.613 1.71604e+01 86.613  0.9863 
1 1 1 19 2  32 o 18 2.00980e+02 5.05221e+00 2.17922e+02 9.736   5.29974e+01  9.09359e+00  0.00000e+00 0.00000e+00 2.83202e+02 9.736   6.52805e+01 9.736   0.9907 
1 1 1 19 2  34 o 18 5.04020e+01 1.15613e+01 9.55522e+01 346.552 4.20865e+00  -1.00639e+00 0.00000e+00 0.00000e+00 1.48210e+01 346.552 8.07312e+01 166.552 0.8750 
1 1 1 19 2  35 o 7  4.08920e+01 1.15500e+01 7.46465e+01 173.536 -3.72496e+00 4.22025e-01  0.00000e+00 0.00000e+00 1.23996e+01 173.536 6.22468e+01 353.536 0.8531 
1 1 1 19 2  36 f 0  1.25258e+02 6.52003e+00 2.29469e+02 176.759 -4.00288e+01 2.26635e+00  0.00000e+00 0.00000e+00 7.82072e+01 176.759 1.51261e+02 356.759 0.9874 
1 1 1 19 2  37 o 11 1.06148e+02 7.26272e+00 1.11639e+02 324.098 1.38472e+01  -1.00245e+01 0.00000e+00 0.00000e+00 1.43761e+02 324.098 3.21215e+01 324.098 0.9703 
1 1 1 19 2  38 o 15 7.82363e+01 1.00088e+01 1.00495e+02 183.603 -1.07246e+01 -6.75217e-01 0.00000e+00 0.00000e+00 8.36530e+01 183.603 1.68423e+01 3.603   0.9523 
1 1 1 19 2  39 o 6  4.54351e+01 1.26332e+01 7.26916e+01 261.528 -6.62937e-01 -4.45069e+00 0.00000e+00 0.00000e+00 2.58436e+01 261.528 4.68480e+01 81.528  0.8803 
1 1 1 19 2  40 o 13 8.95010e+01 8.61794e+00 9.29092e+01 209.994 -1.14242e+01 -6.59424e+00 0.00000e+00 0.00000e+00 1.18328e+02 209.994 2.54186e+01 209.994 0.9613 
1 1 1 19 2  41 o 14 1.06560e+02 7.76986e+00 1.26467e+02 227.104 -1.45024e+01 -1.56088e+01 0.00000e+00 0.00000e+00 1.28047e+02 227.104 1.57957e+00 227.104 0.9762 
1 1 1 19 2  42 o 14 6.26397e+01 1.20367e+01 7.76333e+01 68.192  2.73795e+00  6.84257e+00  0.00000e+00 0.00000e+00 6.42982e+01 68.192  1.33351e+01 248.192 0.9294 
1 1 1 19 2  43 o 14 5.50709e+01 1.21748e+01 6.06261e+01 33.090  4.18491e+00  2.72703e+00  0.00000e+00 0.00000e+00 5.88596e+01 33.090  1.76653e+00 213.090 0.8933 
1 1 1 19 2  44 o 14 4.13010e+01 1.08279e+01 5.19661e+01 47.575  2.46252e+00  2.69444e+00  0.00000e+00 0.00000e+00 3.28419e+01 47.575  1.91243e+01 227.575 0.8486 
1 1 1 19 2  45 o 17 4.60345e+01 1.22275e+01 5.90782e+01 139.312 -3.48560e+00 2.99681e+00  0.00000e+00 0.00000e+00 3.89186e+01 139.312 2.01596e+01 319.312 0.8831 
1 1 1 19 2  46 o 16 3.46461e+01 1.09457e+01 6.23981e+01 327.177 3.62145e+00  -2.33588e+00 0.00000e+00 0.00000e+00 1.03462e+01 327.177 5.20519e+01 147.177 0.8744 
1 1 1 19 2  47 f 0  6.14816e+01 1.16600e+01 3.59415e+01 53.381  2.50448e+00  3.36997e+00  0.00000e+00 0.00000e+00 9.20870e+01 53.381  5.61455e+01 53.381  0.8708 
1 1 1 19 2  48 o 19 5.73439e+01 1.17202e+01 6.28142e+01 281.629 1.52373e+00  -7.40380e+00 0.00000e+00 0.00000e+00 6.43778e+01 281.629 1.56362e+00 281.629 0.9313 
1 1 1 19 2  49 o 17 8.30555e+01 1.07003e+01 1.13231e+02 100.014 -3.54896e+00 2.00993e+01  0.00000e+00 0.00000e+00 7.88690e+01 100.014 3.43618e+01 280.014 0.9752 
1 1 1 19 3  0  o 5  4.46520e+01 2.31675e+01 3.80941e+01 0.000   3.87722e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.32612e+00 0.000   3.27680e+01 180.000 0.3694 
1 1 1 19 3  1  o 4  2.42749e+02 5.23119e+00 3.58674e+02 322.959 3.70262e+01  -2.79430e+01 0.00000e+00 0.00000e+00 2.73399e+02 322.959 8.52752e+01 142.959 0.9892 
1 1 1 19 3  2  o 9  1.48071e+02 7.43365e+00 2.00763e+02 53.671  9.19326e+00  1.25018e+01  0.00000e+00 0.00000e+00 1.76185e+02 53.671  2.45775e+01 233.671 0.9672 
1 1 1 19 3  3  o 18 3.23449e+02 5.37422e+00 3.97223e+02 173.758 -6.77859e+01 7.41441e+00  0.00000e+00 0.00000e+00 4.47647e+02 173.758 5.04246e+01 173.758 0.9926 
1 1 1 19 3  4  f 0  1.37755e+02 8.35410e+00 1.55991e+02 210.294 -9.55176e+00 -5.58015e+00 0.00000e+00 0.00000e+00 1.89605e+02 210.294 3.36148e+01 210.294 0.9537 
1 1 1 19 3  5  o 9  6.69159e+01 1.52399e+01 1.26236e+02 141.890 -3.07433e+00 2.41144e+00  0.00000e+00 0.00000e+00 2.50679e+01 141.890 1.01168e+02 321.890 0.8599 
1 1 1 19 3  6  o 6  8.15005e+01 1.59981e+01 6.98484e+01 203.045 -2.38101e+00 -1.01288e+00 0.00000e+00 0.00000e+00 9.59931e+01 203.045 2.61446e+01 203.045 0.7742 
1 1 1 19 3  7  o 17 2.41073e+02 6.04251e+00 2.87155e+02 37.382  2.86469e+01  2.18883e+01  0.00000e+00 0.00000e+00 3.37274e+02 37.382  5.01192e+01 37.382  0.9860 
1 1 1 19 3  8  o 7  9.42137e+01 1.17412e+01 7.69441e+01 331.765 3.55411e+00  -1.90851e+00 0.00000e+00 0.00000e+00 1.36952e+02 331.765 6.00076e+01 331.765 0.8648 
1 1 1 19 3  9  o 15 5.68707e+01 1.29760e+01 1.28207e+02 347.914 3.86154e+00  -8.26875e-01 0.00000e+00 0.00000e+00 3.23448e-01 347.914 1.27883e+02 167.914 0.8615 
1 1 1 19 3  10 o 2  1.62971e+02 6.57713e+00 1.62107e+02 274.197 1.14219e+00  -1.55654e+01 0.00000e+00 0.00000e+00 2.51141e+02 274.197 8.90339e+01 274.197 0.9674 
1 1 1 19 3  11 o 11 1.78938e+02 5.83530e+00 1.53430e+02 148.784 -1.30245e+01 7.89284e+00  0.00000e+00 0.00000e+00 2.99508e+02 148.784 1.46078e+02 148.784 0.9666 
1 1 1 19 3  12 o 18 3.99850e+01 1.20181e+01 9.19683e+01 63.391  8.39763e-01  1.67633e+00  0.00000e+00 0.00000e+00 2.12411e+01 243.391 1.13209e+02 243.391 0.6761 
1 1 1 19 3  13 o 11 2.74217e+02 5.07829e+00 3.17308e+02 206.840 -4.26186e+01 -2.15653e+01 0.00000e+00 0.00000e+00 3.91770e+02 206.840 7.44618e+01 206.840 0.9895 
1 1 1 19 3  14 o 15 5.69332e+01 1.23666e+01 6.04863e+01 128.179 -1.40027e+00 1.78074e+00  0.00000e+00 0.00000e+00 4.90221e+01 128.179 1.14641e+01 308.179 0.7369 
1 1 1 19 3  15 o 16 5.93199e+01 1.25795e+01 6.21091e+01 91.255  -5.24059e-02 2.39293e+00  0.00000e+00 0.00000e+00 5.43256e+01 91.255  7.78344e+00 271.255 0.7529 
1 1 1 19 3  16 o 1  3.24371e+02 4.53816e+00 3.62253e+02 284.316 2.22605e+01  -8.72305e+01 0.00000e+00 0.00000e+00 4.77558e+02 284.316 1.15305e+02 284.316 0.9944 
1 1 1 19 3  17 o 5  3.98746e+01 1.15990e+01 4.81582e+01 286.820 3.78769e-01  -1.25292e+00 0.00000e+00 0.00000e+00 8.36448e+00 286.820 3.97937e+01 106.820 0.5452 
1 1 1 19 3  18 o 8  1.17276e+02 7.36740e+00 1.19410e+02 65.087  4.37352e+00  9.41655e+00  0.00000e+00 0.00000e+00 1.69973e+02 65.087  5.05628e+01 65.087  0.9506 
1 1 1 19 3  19 o 11 1.24723e+02 6.96395e+00 1.34848e+02 357.296 1.23884e+01  -5.85079e-01 0.00000e+00 0.00000e+00 1.75087e+02 357.296 4.02385e+01 357.296 0.9588 
1 1 1 19 3  20 o 9  2.43764e+02 4.70986e+00 2.87248e+02 96.823  -6.38297e+00 5.33458e+01  0.00000e+00 0.00000e+00 3.37575e+02 96.823  5.03274e+01 96.823  0.9906 
1 1 1 19 3  21 o 6  8.64012e+01 9.98720e+00 9.81007e+01 15.522  5.75299e+00  1.59779e+00  0.00000e+00 0.00000e+00 1.05400e+02 15.522  7.29963e+00 15.522  0.9119 
1 1 1 19 3  22 o 12 6.13427e+01 1.20702e+01 5.00627e+01 0.097   2.24511e+00  3.80223e-03  0.00000e+00 0.00000e+00 6.60453e+01 0.097   1.59826e+01 0.097   0.7342 
1 1 1 19 3  23 o 5  5.70289e+01 1.11136e+01 2.34414e+01 56.068  5.38109e-01  7.99826e-01  0.00000e+00 0.00000e+00 4.01678e+01 56.068  1.67265e+01 56.068  0.4335 
1 1 1 19 3  24 f 0  2.14816e+02 4.94289e+00 2.25338e+02 280.593 6.96801e+00  -3.72597e+01 0.00000e+00 0.00000e+00 3.18952e+02 280.593 9.36142e+01 280.593 0.9867 
1 1 1 19 3  25 o 8  1.85813e+02 5.14627e+00 2.19608e+02 37.276  3.19954e+01  2.43527e+01  0.00000e+00 0.00000e+00 2.50565e+02 37.276  3.09571e+01 37.276  0.9875 
1 1 1 19 3  26 o 7  5.62978e+01 1.17947e+01 5.39231e+01 57.788  1.25757e+00  1.99603e+00  0.00000e+00 0.00000e+00 5.38561e+01 57.788  6.69992e-02 237.788 0.7488 
1 1 1 19 3  27 o 2  8.64223e+01 1.00307e+01 9.12021e+01 300.157 3.90747e+00  -6.72532e+00 0.00000e+00 0.00000e+00 1.14555e+02 300.157 2.33528e+01 300.157 0.9333 
1 1 1 19 3  28 o 17 1.35588e+02 6.30292e+00 1.76955e+02 291.441 9.23797e+00  -2.35228e+01 0.00000e+00 0.00000e+00 1.61208e+02 291.441 1.57473e+01 111.441 0.9800 
1 1 1 19 3  29 o 16 5.42486e+01 1.19233e+01 9.90341e+01 109.022 -1.66799e+00 4.83813e+00  0.00000e+00 0.00000e+00 2.43675e+01 109.022 7.46666e+01 289.022 0.8960 
1 1 1 19 3  30 o 10 4.59505e+01 1.16871e+01 3.77630e+01 148.768 -1.36055e+00 8.25030e-01  0.00000e+00 0.00000e+00 3.41302e+01 148.768 3.63282e+00 328.768 0.6179 
1 1 1 19 3  31 o 4  9.14834e+01 8.59928e+00 1.67629e+02 38.120  1.39026e+01  1.09090e+01  0.00000e+00 0.00000e+00 5.67815e+01 38.120  1.10848e+02 218.120 0.9713 
1 1 1 19 3  32 f 0  1.17927e+02 7.34284e+00 1.85376e+02 61.903  1.29634e+01  2.42816e+01  0.00000e+00 0.00000e+00 1.06199e+02 61.903  7.91774e+01 241.903 0.9817 
1 1 1 19 3  34 o 18 6.95135e+01 1.06539e+01 6.29936e+01 104.213 -1.37408e+00 5.42507e+00  0.00000e+00 0.00000e+00 9.46609e+01 104.213 3.16674e+01 104.213 0.9056 
1 1 1 19 3  35 o 10 5.24485e+01 1.22316e+01 5.55966e+01 324.095 2.89200e+00  -2.09383e+00 0.00000e+00 0.00000e+00 5.50265e+01 324.095 5.70098e-01 144.095 0.8447 
1 1 1 19 3  36 o 8  4.90699e+01 1.21196e+01 4.50248e+01 324.310 2.10828e+00  -1.51442e+00 0.00000e+00 0.00000e+00 4.96458e+01 324.310 4.62103e+00 324.310 0.7750 
1 1 1 19 3  37 o 16 6.68931e+01 1.10867e+01 6.20193e+01 272.322 2.14327e-01  -5.28540e+00 0.00000e+00 0.00000e+00 8.73255e+01 272.322 2.53062e+01 272.322 0.8997 
1 1 1 19 3  38 o 2  4.37569e+01 1.12073e+01 4.84273e+01 49.659  1.78832e+00  2.10565e+00  0.00000e+00 0.00000e+00 3.71600e+01 49.659  1.12673e+01 229.659 0.7908 
1 1 1 19 3  39 f 0  9.17441e+01 9.98814e+00 1.13624e+02 175.137 -1.56523e+01 1.33159e+00  0.00000e+00 0.00000e+00 1.05229e+02 175.137 8.39522e+00 355.137 0.9676 
1 1 1 19 3  40 o 1  6.16352e+01 1.18724e+01 8.10658e+01 230.646 -4.37607e+00 -5.33625e+00 0.00000e+00 0.00000e+00 5.89187e+01 230.646 2.21471e+01 50.646  0.9244 
1 1 1 19 3  41 o 19 6.43411e+01 1.15802e+01 7.44267e+01 38.395  5.85903e+00  4.64289e+00  0.00000e+00 0.00000e+00 7.21509e+01 38.395  2.27581e+00 218.394 0.9305 
1 1 1 19 3  42 o 8  5.87907e+01 1.21127e+01 8.18987e+01 249.026 -2.58515e+00 -6.74369e+00 0.00000e+00 0.00000e+00 5.11893e+01 249.026 3.07094e+01 69.026  0.9279 
1 1 1 19 3  43 o 1  3.75401e+01 1.11765e+01 3.98158e+01 26.442  2.08127e+00  1.03506e+00  0.00000e+00 0.00000e+00 2.81149e+01 26.442  1.17009e+01 206.442 0.7445 
1 1 1 19 3  44 o 8  4.08672e+01 1.16297e+01 7.91943e+01 136.775 -4.14465e+00 3.89549e+00  0.00000e+00 0.00000e+00 1.05855e+01 136.775 6.86088e+01 316.775 0.9072 
1 1 1 19 3  45 o 14 3.77345e+01 1.12814e+01 4.09138e+01 249.631 -9.93532e-01 -2.67603e+00 0.00000e+00 0.00000e+00 3.17815e+01 249.631 9.13224e+00 69.631  0.7986 
1 1 1 19 3  46 o 16 1.04452e+02 8.00404e+00 9.63311e+01 139.838 -1.76086e+01 1.48605e+01  0.00000e+00 0.00000e+00 1.49138e+02 139.838 5.28065e+01 139.838 0.9781 
1 1 1 19 3  47 o 6  2.99908e+01 9.89509e+00 4.05980e+01 210.141 -2.37901e+00 -1.38134e+00 0.00000e+00 0.00000e+00 1.60848e+01 210.141 2.45132e+01 30.141  0.7897 
1 1 1 19 3  48 o 17 3.51875e+01 1.06277e+01 4.79515e+01 301.103 1.94073e+00  -3.21676e+00 0.00000e+00 0.00000e+00 2.36260e+01 301.103 2.43254e+01 121.103 0.8535 
1 1 1 19 3  49 o 16 9.27252e+01 9.19207e+00 6.09202e+01 101.440 -2.62459e+00 1.29696e+01  0.00000e+00 0.00000e+00 1.50672e+02 101.440 8.97514e+01 101.440 0.9614 
1 1 1 19 4  0  o 7  1.49826e+02 9.99521e+00 2.34044e+02 0.000   9.08171e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.60758e+02 0.000   7.32854e+01 180.000 1.0000 
1 1 1 19 4  1  o 14 2.58045e+02 5.24411e+00 3.35300e+02 215.732 -3.69342e+01 -2.65708e+01 0.00000e+00 0.00000e+00 3.37124e+02 215.732 1.82369e+00 215.732 0.9889 
1 1 1 19 4  2  o 8  2.44315e+02 5.81238e+00 2.43035e+02 103.192 -7.08792e+00 3.02376e+01  0.00000e+00 0.00000e+00 3.90193e+02 103.192 1.47158e+02 103.192 0.9838 
1 1 1 19 4  3  o 3  1.51420e+02 7.04628e+00 1.38632e+02 175.485 -1.25180e+01 9.88519e-01  0.00000e+00 0.00000e+00 2.43990e+02 175.485 1.05358e+02 175.485 0.9593 
1 1 1 19 4  4  o 15 7.81851e+01 1.33616e+01 1.13068e+02 137.572 -3.53624e+00 3.23221e+00  0.00000e+00 0.00000e+00 6.98155e+01 137.572 4.32526e+01 317.572 0.8883 
1 1 1 19 4  5  o 8  1.56923e+02 8.86881e+00 2.05148e+02 54.002  1.10092e+01  1.51541e+01  0.00000e+00 0.00000e+00 1.96728e+02 54.002  8.41932e+00 234.002 0.9729 
1 1 1 19 4  6  o 10 1.95451e+02 8.07433e+00 1.92108e+02 291.987 8.23517e+00  -2.03965e+01 0.00000e+00 0.00000e+00 3.10292e+02 291.987 1.18184e+02 291.987 0.9770 
1 1 1 19 4  7  o 5  1.41368e+02 8.75762e+00 1.57034e+02 358.495 1.28330e+01  -3.37119e-01 0.00000e+00 0.00000e+00 1.99909e+02 358.495 4.28745e+01 358.495 0.9602 
1 1 1 19 4  8  o 13 4.27389e+01 1.19770e+01 1.15426e+02 60.783  1.31923e+00  2.35888e+00  0.00000e+00 0.00000e+00 2.72226e+01 240.783 1.42649e+02 240.783 0.7854 
1 1 1 19 4  9  o 11 1.65447e+02 6.14395e+00 2.20564e+02 109.281 -6.67100e+00 1.90697e+01  0.00000e+00 0.00000e+00 2.02989e+02 109.281 1.75747e+01 289.281 0.9749 
1 1 1 19 4  10 o 15 2.35038e+02 5.18273e+00 2.75128e+02 156.275 -3.28216e+01 1.44244e+01  0.00000e+00 0.00000e+00 3.32886e+02 156.275 5.77586e+01 156.275 0.9860 
1 1 1 19 4  11 o 16 1.13996e+02 7.80605e+00 8.33506e+01 305.276 2.94803e+00  -4.16733e+00 0.00000e+00 0.00000e+00 1.84323e+02 305.276 1.00972e+02 305.276 0.8958 
1 1 1 19 4  12 o 12 1.20963e+02 7.25074e+00 1.83705e+02 153.298 -1.43546e+01 7.22015e+00  0.00000e+00 0.00000e+00 1.23046e+02 153.298 6.06590e+01 333.298 0.9684 
1 1 1 19 4  13 o 16 1.44305e+02 6.39270e+00 2.16872e+02 265.501 -1.78130e+00 -2.26365e+01 0.00000e+00 0.00000e+00 1.52211e+02 265.501 6.46617e+01 85.501  0.9777 
1 1 1 19 4  14 o 15 2.06110e+02 5.13913e+00 2.55802e+02 16.427  3.68886e+01  1.08761e+01  0.00000e+00 0.00000e+00 2.75693e+02 16.427  1.98906e+01 16.427  0.9869 
1 1 1 19 4  15 f 0  1.50337e+02 6.04997e+00 1.25442e+02 218.159 -1.11605e+01 -8.76964e+00 0.00000e+00 0.00000e+00 2.52796e+02 218.159 1.27354e+02 218.159 0.9641 
1 1 1 19 4  16 o 3  2.12018e+02 5.00209e+00 3.05544e+02 338.678 4.54960e+01  -1.77582e+01 0.00000e+00 0.00000e+00 2.41319e+02 338.678 6.42247e+01 158.678 0.9897 
1 1 1 19 4  17 o 11 1.36962e+02 6.45784e+00 1.59400e+02 39.211  1.26877e+01  1.03517e+01  0.00000e+00 0.00000e+00 1.85974e+02 39.211  2.65734e+01 39.211  0.9690 
1 1 1 19 4  18 o 13 2.14551e+02 4.97533e+00 2.97752e+02 327.922 4.08450e+01  -2.55997e+01 0.00000e+00 0.00000e+00 2.53946e+02 327.922 4.38059e+01 147.922 0.9896 
1 1 1 19 4  19 o 15 4.34284e+01 1.20960e+01 6.11833e+01 287.041 5.32106e-01  -1.73600e+00 0.00000e+00 0.00000e+00 1.37490e+01 287.041 4.74343e+01 107.041 0.6651 
1 1 1 19 4  20 o 18 9.14235e+01 9.17187e+00 9.27531e+01 193.299 -5.90341e+00 -1.39545e+00 0.00000e+00 0.00000e+00 1.23522e+02 193.299 3.07685e+01 193.299 0.9134 
1 1 1 19 4  21 o 2  1.23156e+02 6.78627e+00 1.55143e+02 251.273 -4.95822e+00 -1.46258e+01 0.00000e+00 0.00000e+00 1.52780e+02 251.273 2.36303e+00 71.273  0.9671 
1 1 1 19 4  22 o 11 9.18851e+01 8.54554e+00 1.00338e+02 173.189 -6.94118e+00 8.29017e-01  0.00000e+00 0.00000e+00 1.19101e+02 173.189 1.87631e+01 173.189 0.9254 
1 1 1 19 4  23 o 11 2.40562e+02 4.57001e+00 2.38885e+02 26.553  4.05239e+01  2.02515e+01  0.00000e+00 0.00000e+00 3.73835e+02 26.553  1.34951e+02 26.553  0.9889 
1 1 1 19 4  24 o 10 7.52753e+01 1.08910e+01 8.10249e+01 18.995  5.10526e+00  1.75739e+00  0.00000e+00 0.00000e+00 9.34795e+01 18.995  1.24546e+01 18.995  0.9019 
1 1 1 19 4  25 o 2  1.11147e+02 7.32321e+00 1.42769e+02 208.216 -1.19222e+01 -6.39683e+00 0.00000e+00 0.00000e+00 1.31574e+02 208.216 1.11954e+01 28.216  0.9623 
1 1 1 19 4  26 o 14 9.29818e+01 8.13469e+00 9.26810e+01 62.022  3.35378e+00  6.31331e+00  0.00000e+00 0.00000e+00 1.27957e+02 62.022  3.52761e+01 62.022  0.9272 
1 1 1 19 4  27 o 14 1.13233e+02 6.98997e+00 1.04918e+02 51.779  7.68604e+00  9.75976e+00  0.00000e+00 0.00000e+00 1.72330e+02 51.779  6.74112e+01 51.779  0.9589 
1 1 1 19 4  28 o 13 8.04477e+01 1.01836e+01 6.37477e+01 63.755  2.27653e+00  4.61738e+00  0.00000e+00 0.00000e+00 1.20020e+02 63.755  5.62725e+01 63.755  0.8967 
1 1 1 19 4  29 o 19 8.36939e+01 8.89378e+00 6.36825e+01 285.558 1.41253e+00  -5.07342e+00 0.00000e+00 0.00000e+00 1.27565e+02 285.558 6.38821e+01 285.558 0.8992 
1 1 1 19 4  30 o 17 1.47276e+02 7.22895e+00 1.88748e+02 298.558 1.59104e+01  -2.92327e+01 0.00000e+00 0.00000e+00 1.78906e+02 298.558 9.84187e+00 118.558 0.9849 
1 1 1 19 4  31 o 16 5.56081e+01 1.18347e+01 7.64286e+01 211.650 -4.02933e+00 -2.48372e+00 0.00000e+00 0.00000e+00 4.82399e+01 211.650 2.81887e+01 31.650  0.8868 
1 1 1 19 4  33 o 18 8.96957e+01 9.05942e+00 1.50774e+02 84.174  1.86007e+00  1.82284e+01  0.00000e+00 0.00000e+00 6.84922e+01 84.174  8.22814e+01 264.174 0.9723 
1 1 1 19 4  34 o 1  6.54000e+01 1.10695e+01 1.10393e+02 93.891  -6.29727e-01 9.25943e+00  0.00000e+00 0.00000e+00 4.44562e+01 93.891  6.59364e+01 273.891 0.9445 
1 1 1 19 4  35 o 7  7.37770e+01 1.03756e+01 9.28964e+01 122.681 -4.64585e+00 7.24180e+00  0.00000e+00 0.00000e+00 8.04323e+01 122.681 1.24642e+01 302.681 0.9400 
1 1 1 19 4  36 o 7  9.53926e+01 8.24672e+00 1.04098e+02 237.509 -7.50953e+00 -1.17918e+01 0.00000e+00 0.00000e+00 1.24936e+02 237.509 2.08382e+01 237.509 0.9635 
1 1 1 19 4  37 o 15 4.55902e+01 1.13998e+01 4.20153e+01 52.347  1.52600e+00  1.97774e+00  0.00000e+00 0.00000e+00 4.45920e+01 52.347  2.57666e+00 52.347  0.7648 
1 1 1 19 4  38 o 16 6.94995e+01 1.02994e+01 7.39361e+01 317.703 5.70478e+00  -5.19039e+00 0.00000e+00 0.00000e+00 8.65631e+01 317.703 1.26271e+01 317.703 0.9327 
1 1 1 19 4  39 o 8  3.31207e+01 1.03314e+01 2.46521e+01 246.253 -4.92068e-01 -1.11849e+00 0.00000e+00 0.00000e+00 1.78103e+01 246.253 6.84178e+00 66.253  0.5195 
1 1 1 19 4  40 o 6  1.09849e+02 7.85290e+00 1.70249e+02 11.223  2.90540e+01  5.76499e+00  0.00000e+00 0.00000e+00 9.53063e+01 11.223  7.49424e+01 191.223 0.9830 
1 1 1 19 4  41 o 15 3.95417e+01 1.12972e+01 5.49028e+01 317.132 2.49903e+00  -2.31965e+00 0.00000e+00 0.00000e+00 2.61353e+01 317.132 2.87675e+01 137.132 0.8362 
1 1 1 19 4  42 o 6  7.41704e+01 1.13343e+01 9.91076e+01 182.080 -1.14411e+01 -4.15472e-01 0.00000e+00 0.00000e+00 7.39157e+01 182.080 2.51919e+01 2.080   0.9553 
1 1 1 19 4  43 o 18 3.23881e+01 1.04165e+01 4.30879e+01 329.240 2.08545e+00  -1.24121e+00 0.00000e+00 0.00000e+00 1.65498e+01 329.240 2.65381e+01 149.240 0.7568 
1 1 1 19 4  44 o 16 1.26053e+02 6.71984e+00 1.39061e+02 120.956 -1.94691e+01 3.24582e+01  0.00000e+00 0.00000e+00 1.62420e+02 120.956 2.33588e+01 120.956 0.9867 
1 1 1 19 4  45 o 8  4.55823e+01 1.17828e+01 5.33012e+01 217.138 -3.70579e+00 -2.80651e+00 0.00000e+00 0.00000e+00 4.40565e+01 217.138 9.24465e+00 37.138  0.8845 
1 1 1 19 4  46 o 11 4.83138e+01 1.19748e+01 4.14851e+01 122.042 -1.99435e+00 3.18642e+00  0.00000e+00 0.00000e+00 5.77038e+01 122.042 1.62188e+01 122.042 0.8536 
1 1 1 19 4  47 o 9  5.90918e+01 1.07338e+01 5.47739e+01 158.552 -6.46763e+00 2.54087e+00  0.00000e+00 0.00000e+00 7.61615e+01 158.552 2.13877e+01 158.552 0.9250 
1 1 1 19 4  48 o 17 5.36634e+01 1.13615e+01 5.48908e+01 222.762 -4.54275e+00 -4.20103e+00 0.00000e+00 0.00000e+00 6.22783e+01 222.762 7.38744e+00 222.762 0.9152 
1 1 1 19 4  49 o 8  3.35724e+01 1.04338e+01 1.76085e+01 276.380 1.59214e-01  -1.42394e+00 0.00000e+00 0.00000e+00 2.85798e+01 276.380 1.09712e+01 276.380 0.5791 
1 1 1 19 5  0  o 18 2.21851e+02 7.55468e+00 3.09095e+02 0.000   2.05855e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.76247e+02 0.000   3.28479e+01 180.000 1.0000 
1 1 1 19 5  1  o 14 1.74727e+02 5.99479e+00 2.00870e+02 315.121 1.48400e+01  -1.47773e+01 0.00000e+00 0.00000e+00 2.48975e+02 315.121 4.81046e+01 315.121 0.9758 
1 1 1 19 5  2  o 10 1.95484e+02 5.98452e+00 2.17385e+02 232.325 -1.54838e+01 -2.00519e+01 0.00000e+00 0.00000e+00 2.88017e+02 232.325 7.06313e+01 232.325 0.9801 
1 1 1 19 5  3  o 1  6.15501e+01 1.36315e+01 8.07571e+01 161.042 -2.50326e+00 8.59874e-01  0.00000e+00 0.00000e+00 4.58741e+01 161.042 3.48830e+01 341.042 0.7801 
1 1 1 19 5  4  o 4  6.12206e+01 1.33630e+01 6.89768e+01 83.338  2.47181e-01  2.11632e+00  0.00000e+00 0.00000e+00 4.69380e+01 83.338  2.20388e+01 263.338 0.7181 
1 1 1 19 5  5  o 15 4.38835e+01 1.26825e+01 5.97124e+01 180.960 -1.33404e+00 -2.23484e-02 0.00000e+00 0.00000e+00 4.17819e+00 180.960 5.55342e+01 0.960   0.5524 
1 1 1 19 5  6  o 18 7.06721e+01 1.29234e+01 5.04908e+01 34.201  1.49143e+00  1.01362e+00  0.00000e+00 0.00000e+00 7.28826e+01 34.201  2.23918e+01 34.201  0.6627 
1 1 1 19 5  7  o 5  1.47805e+02 7.15020e+00 2.64051e+02 98.949  -3.30993e+00 2.10197e+01  0.00000e+00 0.00000e+00 1.15845e+02 98.949  1.48206e+02 278.949 0.9762 
1 1 1 19 5  8  o 15 1.70578e+02 6.34494e+00 1.91886e+02 298.837 8.63115e+00  -1.56760e+01 0.00000e+00 0.00000e+00 2.44208e+02 298.837 5.23226e+01 298.837 0.9716 
1 1 1 19 5  9  o 15 3.81461e+01 1.17148e+01 1.04940e+02 6.995   2.67032e+00  3.27615e-01  0.00000e+00 0.00000e+00 2.62876e+01 186.994 1.31228e+02 186.994 0.7842 
1 1 1 19 5  10 o 11 2.31036e+02 5.05904e+00 3.23670e+02 16.362  5.31793e+01  1.56133e+01  0.00000e+00 0.00000e+00 2.77782e+02 16.362  4.58882e+01 196.362 0.9909 
1 1 1 19 5  11 o 19 2.38783e+02 4.94002e+00 2.28548e+02 292.369 1.53098e+01  -3.72006e+01 0.00000e+00 0.00000e+00 3.90350e+02 292.369 1.61802e+02 292.369 0.9875 
1 1 1 19 5  12 o 2  1.23854e+02 7.43842e+00 1.17572e+02 140.026 -7.93128e+00 6.64911e+00  0.00000e+00 0.00000e+00 1.91075e+02 140.026 7.35025e+01 140.026 0.9504 
1 1 1 19 5  13 o 3  2.00081e+02 5.27393e+00 2.44075e+02 282.473 8.02842e+00  -3.62936e+01 0.00000e+00 0.00000e+00 2.72896e+02 282.473 2.88207e+01 282.473 0.9865 
1 1 1 19 5  14 o 9  1.23715e+02 6.90245e+00 1.27375e+02 144.250 -9.46696e+00 6.81528e+00  0.00000e+00 0.00000e+00 1.82091e+02 144.250 5.47156e+01 144.250 0.9561 
1 1 1 19 5  15 o 7  7.76089e+01 1.03477e+01 1.05884e+02 355.846 5.80402e+00  -4.21492e-01 0.00000e+00 0.00000e+00 7.85445e+01 355.846 2.73391e+01 175.846 0.9095 
1 1 1 19 5  16 o 8  6.04846e+01 1.21582e+01 3.78535e+01 206.578 -1.38584e+00 -6.93319e-01 0.00000e+00 0.00000e+00 5.81335e+01 206.578 2.02800e+01 206.578 0.6082 
1 1 1 19 5  17 o 2  1.37612e+02 6.35048e+00 1.41372e+02 30.230  1.27699e+01  7.44121e+00  0.00000e+00 0.00000e+00 2.04861e+02 30.230  6.34889e+01 30.230  0.9656 
1 1 1 19 5  18 o 17 1.55262e+02 5.92342e+00 8.73668e+01 204.869 -9.30154e+00 -4.31144e+00 0.00000e+00 0.00000e+00 2.96361e+02 204.869 2.08994e+02 204.869 0.9499 
1 1 1 19 5  19 o 10 3.64380e+01 1.10963e+01 1.05754e+02 110.575 -1.02161e+00 2.72151e+00  0.00000e+00 0.00000e+00 2.97592e+01 290.575 1.35513e+02 290.575 0.8029 
1 1 1 19 5  20 o 5  1.37806e+02 6.16453e+00 1.75601e+02 174.704 -1.96043e+01 1.81714e+00  0.00000e+00 0.00000e+00 1.72577e+02 174.704 3.02465e+00 354.704 0.9743 
1 1 1 19 5  21 o 13 1.29020e+02 6.47042e+00 2.48496e+02 188.057 -2.47955e+01 -3.50980e+00 0.00000e+00 0.00000e+00 7.87651e+01 188.057 1.69731e+02 8.057   0.9798 
1 1 1 19 5  22 o 19 7.57223e+01 1.01893e+01 3.05687e+01 130.137 -1.35839e+00 1.61105e+00  0.00000e+00 0.00000e+00 1.09257e+02 130.137 7.86881e+01 130.137 0.7146 
1 1 1 19 5  23 o 14 1.27775e+02 6.49531e+00 1.59629e+02 224.721 -1.40528e+01 -1.39165e+01 0.00000e+00 0.00000e+00 1.61451e+02 224.721 1.82251e+00 224.721 0.9744 
1 1 1 19 5  24 o 6  1.16168e+02 6.88567e+00 1.90895e+02 23.989  1.74027e+01  7.74436e+00  0.00000e+00 0.00000e+00 1.00129e+02 23.989  9.07658e+01 203.989 0.9734 
1 1 1 19 5  25 o 6  6.26060e+01 1.18328e+01 7.55285e+01 55.232  2.54586e+00  3.66737e+00  0.00000e+00 0.00000e+00 6.58491e+01 55.232  9.67942e+00 235.232 0.8793 
1 1 1 19 5  26 o 16 6.49217e+01 1.14587e+01 6.80127e+01 21.815  3.86604e+00  1.54749e+00  0.00000e+00 0.00000e+00 7.66546e+01 21.815  8.64184e+00 21.815  0.8696 
1 1 1 19 5  27 f 0  9.49662e+01 8.10232e+00 9.00894e+01 83.280  1.05853e+00  8.98406e+00  0.00000e+00 0.00000e+00 1.38875e+02 83.280  4.87860e+01 83.280  0.9430 
1 1 1 19 5  28 o 5  6.06467e+01 1.18436e+01 7.84076e+01 214.383 -3.60842e+00 -2.46920e+00 0.00000e+00 0.00000e+00 5.71732e+01 214.383 2.12344e+01 34.383  0.8765 
1 1 1 19 5  29 o 3  1.24504e+02 6.44430e+00 1.15317e+02 213.820 -1.45649e+01 -9.75773e+00 0.00000e+00 0.00000e+00 1.92305e+02 213.820 7.69885e+01 213.820 0.9710 
1 1 1 19 5  30 o 11 6.58241e+01 1.06731e+01 7.81411e+01 158.433 -5.54715e+00 2.19254e+00  0.00000e+00 0.00000e+00 7.41855e+01 158.433 3.95560e+00 338.433 0.9118 
1 1 1 19 5  32 o 5  9.17207e+01 8.62741e+00 1.22353e+02 353.315 1.53640e+01  -1.80069e+00 0.00000e+00 0.00000e+00 1.01576e+02 353.315 2.07770e+01 173.315 0.9671 
1 1 1 19 5  33 o 19 9.23659e+01 8.34744e+00 1.12514e+02 32.611  1.23576e+01  7.90642e+00  0.00000e+00 0.00000e+00 1.11935e+02 32.611  5.79449e-01 212.611 0.9653 
1 1 1 19 5  34 o 1  8.64539e+01 8.94879e+00 1.23470e+02 212.622 -1.18554e+01 -7.58831e+00 0.00000e+00 0.00000e+00 8.56816e+01 212.622 3.77885e+01 32.622  0.9638 
1 1 1 19 5  35 o 11 5.65844e+01 1.08810e+01 6.99951e+01 21.452  4.79064e+00  1.88240e+00  0.00000e+00 0.00000e+00 5.69854e+01 21.452  1.30097e+01 201.452 0.8967 
1 1 1 19 5  36 o 19 3.51461e+01 1.07557e+01 4.75642e+01 319.566 1.70730e+00  -1.45478e+00 0.00000e+00 0.00000e+00 1.67918e+01 319.566 3.07724e+01 139.566 0.7339 
1 1 1 19 5  37 o 14 8.47713e+01 8.93991e+00 1.36552e+02 117.510 -8.48435e+00 1.62914e+01  0.00000e+00 0.00000e+00 6.84644e+01 117.510 6.80879e+01 297.510 0.9724 
1 1 1 19 5  38 o 14 4.75017e+01 1.24048e+01 7.38135e+01 89.861  1.17974e-02  4.85079e+00  0.00000e+00 0.00000e+00 3.09717e+01 89.861  4.28418e+01 269.861 0.8898 
1 1 1 19 5  39 o 10 5.11750e+01 1.09923e+01 5.92317e+01 191.760 -4.23935e+00 -8.82581e-01 0.00000e+00 0.00000e+00 5.14254e+01 191.760 7.80628e+00 11.760  0.8751 
1 1 1 19 5  40 o 10 1.12734e+02 7.61628e+00 1.18180e+02 65.111  1.02430e+01  2.20780e+01  0.00000e+00 0.00000e+00 1.53661e+02 65.111  3.54811e+01 65.111  0.9792 
1 1 1 19 5  41 o 3  9.69679e+01 8.58607e+00 1.05592e+02 242.303 -8.24129e+00 -1.56993e+01 0.00000e+00 0.00000e+00 1.25547e+02 242.303 1.99546e+01 242.303 0.9714 
1 1 1 19 5  42 o 14 6.39253e+01 1.11251e+01 1.04836e+02 302.985 6.18371e+00  -9.52743e+00 0.00000e+00 0.00000e+00 4.44216e+01 302.985 6.04144e+01 122.985 0.9549 
1 1 1 19 5  43 o 15 3.26056e+01 1.05054e+01 4.85274e+01 322.695 2.33650e+00  -1.78026e+00 0.00000e+00 0.00000e+00 1.54362e+01 322.695 3.30912e+01 142.695 0.8053 
1 1 1 19 5  44 o 17 3.75052e+01 1.12455e+01 2.92829e+01 24.456  1.85262e+00  8.42588e-01  0.00000e+00 0.00000e+00 3.47524e+01 24.456  5.46955e+00 24.456  0.7035 
1 1 1 19 5  45 o 7  5.07335e+01 1.20037e+01 4.36515e+01 78.894  8.00932e-01  4.07997e+00  0.00000e+00 0.00000e+00 6.29812e+01 78.894  1.93297e+01 78.894  0.8693 
1 1 1 19 5  46 o 2  5.75567e+01 1.15774e+01 6.73027e+01 144.569 -6.50108e+00 4.62543e+00  0.00000e+00 0.00000e+00 6.23076e+01 144.569 4.99510e+00 324.569 0.9351 
1 1 1 19 5  47 o 18 2.90555e+01 9.61366e+00 2.14499e+01 149.282 -1.26384e+00 7.50964e-01  0.00000e+00 0.00000e+00 1.95758e+01 149.282 1.87406e+00 329.282 0.5887 
1 1 1 19 5  48 o 15 2.96628e+01 9.78684e+00 6.39087e+01 163.630 -4.61279e+00 1.35500e+00  0.00000e+00 0.00000e+00 9.34390e-01 343.630 6.48431e+01 343.630 0.8887 
1 1 1 19 6  0  o 12 5.54621e+01 2.19140e+01 2.81831e+01 0.000   3.73890e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.41970e+01 0.000   3.98604e+00 180.000 0.3574 
1 1 1 19 6  1  o 1  8.69411e+01 1.05344e+01 1.43162e+02 44.907  4.59068e+00  4.57579e+00  0.00000e+00 0.00000e+00 6.80245e+01 44.907  7.51377e+01 224.907 0.9192 
1 1 1 19 6  2  o 16 1.60605e+02 6.27439e+00 1.83849e+02 233.035 -9.71555e+00 -1.29093e+01 0.00000e+00 0.00000e+00 2.27139e+02 233.035 4.32897e+01 233.035 0.9685 
1 1 1 19 6  3  o 12 1.52651e+02 6.04844e+00 1.62234e+02 329.621 1.58267e+01  -9.27756e+00 0.00000e+00 0.00000e+00 2.29854e+02 329.621 6.76204e+01 329.621 0.9724 
1 1 1 19 6  4  o 4  1.93055e+02 5.90841e+00 2.04419e+02 267.237 -1.40843e+00 -2.91842e+01 0.00000e+00 0.00000e+00 2.96591e+02 267.237 9.21728e+01 267.237 0.9827 
1 1 1 19 6  5  o 16 9.53771e+01 8.99551e+00 1.52102e+02 136.007 -7.37481e+00 7.11994e+00  0.00000e+00 0.00000e+00 8.70527e+01 136.007 6.50495e+01 316.007 0.9499 
1 1 1 19 6  6  o 11 1.08555e+02 8.02558e+00 1.50585e+02 19.359  1.10315e+01  3.87589e+00  0.00000e+00 0.00000e+00 1.23299e+02 19.359  2.72859e+01 199.359 0.9562 
1 1 1 19 6  7  o 4  3.29036e+02 4.45471e+00 3.70973e+02 244.213 -3.94877e+01 -8.17304e+01 0.00000e+00 0.00000e+00 4.91900e+02 244.213 1.20927e+02 244.213 0.9945 
1 1 1 19 6  8  o 14 4.77720e+01 1.29687e+01 5.87241e+01 332.009 1.60171e+00  -8.51304e-01 0.00000e+00 0.00000e+00 2.49594e+01 332.009 3.37647e+01 152.010 0.6647 
1 1 1 19 6  9  o 1  1.10232e+02 8.77077e+00 1.55310e+02 311.436 8.29241e+00  -9.39391e+00 0.00000e+00 0.00000e+00 1.23134e+02 311.436 3.21761e+01 131.436 0.9592 
1 1 1 19 6  10 o 6  1.61223e+02 6.47023e+00 1.35487e+02 275.630 1.61388e+00  -1.63703e+01 0.00000e+00 0.00000e+00 2.75620e+02 275.630 1.40133e+02 275.630 0.9691 
1 1 1 19 6  11 o 8  1.76895e+02 6.18318e+00 1.42901e+02 77.657  4.05736e+00  1.85425e+01  0.00000e+00 0.00000e+00 3.09702e+02 77.657  1.66801e+02 77.657  0.9733 
1 1 1 19 6  12 o 5  4.71083e+01 1.27766e+01 2.27728e+01 207.866 -6.42003e-01 -3.39433e-01 0.00000e+00 0.00000e+00 1.94267e+01 207.866 3.34608e+00 27.866  0.3411 
1 1 1 19 6  13 o 6  1.38426e+02 6.71114e+00 1.39903e+02 94.057  -1.02858e+00 1.45037e+01  0.00000e+00 0.00000e+00 2.10522e+02 94.057  7.06185e+01 94.057  0.9650 
1 1 1 19 6  14 o 16 1.27081e+02 6.71274e+00 2.10771e+02 149.571 -1.72010e+01 1.01036e+01  0.00000e+00 0.00000e+00 1.13767e+02 149.571 9.70042e+01 329.571 0.9746 
1 1 1 19 6  15 o 16 8.17177e+01 9.73924e+00 6.11246e+01 68.542  1.31906e+00  3.35585e+00  0.00000e+00 0.00000e+00 1.19895e+02 68.542  5.87707e+01 68.542  0.8464 
1 1 1 19 6  16 o 6  1.34511e+02 6.25145e+00 1.58182e+02 138.316 -1.19988e+01 1.06847e+01  0.00000e+00 0.00000e+00 1.82246e+02 138.316 2.40639e+01 138.316 0.9684 
1 1 1 19 6  17 o 12 1.43462e+02 5.93246e+00 1.02014e+02 240.994 -5.88292e+00 -1.06102e+01 0.00000e+00 0.00000e+00 2.56619e+02 240.994 1.54604e+02 240.994 0.9579 
1 1 1 19 6  18 o 7  5.23006e+01 1.22897e+01 5.18005e+01 48.359  1.31415e+00  1.47802e+00  0.00000e+00 0.00000e+00 4.27968e+01 48.359  9.00376e+00 228.359 0.6941 
1 1 1 19 6  19 o 7  2.30674e+02 4.64684e+00 3.04081e+02 190.830 -5.53093e+01 -1.05806e+01 0.00000e+00 0.00000e+00 2.90720e+02 190.830 1.33612e+01 10.830  0.9911 
1 1 1 19 6  20 o 1  1.00984e+02 7.83246e+00 4.37876e+01 178.572 -3.36979e+00 8.40174e-02  0.00000e+00 0.00000e+00 1.74981e+02 178.572 1.31193e+02 178.572 0.8341 
1 1 1 19 6  21 o 16 4.27840e+01 1.14691e+01 5.07098e+01 245.116 -8.01852e-01 -1.72867e+00 0.00000e+00 0.00000e+00 2.49047e+01 245.116 2.58051e+01 65.116  0.6816 
1 1 1 19 6  22 o 1  6.73829e+01 1.13217e+01 8.09401e+01 289.231 1.42846e+00  -4.09492e+00 0.00000e+00 0.00000e+00 7.17052e+01 289.231 9.23489e+00 109.231 0.8753 
1 1 1 19 6  23 o 1  1.18000e+02 6.84837e+00 1.63620e+02 54.281  9.65975e+00  1.34334e+01  0.00000e+00 0.00000e+00 1.31809e+02 54.281  3.18114e+01 234.281 0.9693 
1 1 1 19 6  24 o 3  1.70219e+02 5.43279e+00 1.87242e+02 260.672 -5.62060e+00 -3.42184e+01 0.00000e+00 0.00000e+00 2.45162e+02 260.672 5.79202e+01 260.672 0.9855 
1 1 1 19 6  25 o 16 7.14871e+01 1.05692e+01 1.54709e+02 331.781 9.80624e+00  -5.26224e+00 0.00000e+00 0.00000e+00 2.07091e+01 331.781 1.34000e+02 151.781 0.9540 
1 1 1 19 6  26 o 14 7.42729e+01 1.08999e+01 1.13483e+02 51.663  5.15071e+00  6.51331e+00  0.00000e+00 0.00000e+00 6.52718e+01 51.663  4.82109e+01 231.663 0.9377 
1 1 1 19 6  27 o 14 6.09370e+01 1.13441e+01 4.53120e+01 124.371 -1.45187e+00 2.12267e+00  0.00000e+00 0.00000e+00 7.52451e+01 124.371 2.99332e+01 124.371 0.7726 
1 1 1 19 6  28 o 1  8.98210e+01 8.39039e+00 9.54439e+01 144.774 -8.18430e+00 5.77890e+00  0.00000e+00 0.00000e+00 1.22250e+02 144.774 2.68063e+01 144.774 0.9487 
1 1 1 19 6  29 o 6  3.91499e+01 1.13116e+01 9.03587e+01 119.378 -1.97195e+00 3.50274e+00  0.00000e+00 0.00000e+00 4.12946e+00 299.378 9.44882e+01 299.378 0.8643 
1 1 1 19 6  31 o 1  6.49836e+01 1.13580e+01 7.72022e+01 283.322 1.45649e+00  -6.15098e+00 0.00000e+00 0.00000e+00 7.38870e+01 283.322 3.31519e+00 103.322 0.9171 
1 1 1 19 6  32 o 12 6.92151e+01 1.08070e+01 4.47795e+01 219.380 -3.12496e+00 -2.56502e+00 0.00000e+00 0.00000e+00 1.06624e+02 219.380 6.18445e+01 219.380 0.8652 
1 1 1 19 6  33 o 1  3.40459e+01 1.04854e+01 4.14778e+01 263.540 -2.00012e-01 -1.76657e+00 0.00000e+00 0.00000e+00 1.49798e+01 263.540 2.64980e+01 83.540  0.6577 
1 1 1 19 6  34 o 4  1.27677e+02 6.55240e+00 8.46293e+01 23.027  1.47774e+01  6.28076e+00  0.00000e+00 0.00000e+00 2.26194e+02 23.027  1.41564e+02 23.027  0.9683 
1 1 1 19 6  35 o 9  4.49869e+01 1.17780e+01 6.85902e+01 73.406  1.14113e+00  3.82932e+00  0.00000e+00 0.00000e+00 2.87642e+01 73.406  3.98259e+01 253.406 0.8634 
1 1 1 19 6  36 o 17 1.53500e+02 5.82330e+00 1.17912e+02 46.814  2.17067e+01  2.31270e+01  0.00000e+00 0.00000e+00 2.59572e+02 46.814  1.41661e+02 46.814  0.9841 
1 1 1 19 6  37 o 11 1.14818e+02 7.26209e+00 1.51184e+02 349.346 2.86739e+01  -5.39413e+00 0.00000e+00 0.00000e+00 1.29887e+02 349.346 2.12973e+01 169.346 0.9827 
1 1 1 19 6  38 o 17 3.77619e+01 1.17146e+01 2.81731e+01 293.449 5.89702e-01  -1.35952e+00 0.00000e+00 0.00000e+00 2.72994e+01 293.449 8.73722e-01 113.449 0.5916 
1 1 1 19 6  39 o 6  6.46507e+01 1.18938e+01 8.53550e+01 341.668 8.08302e+00  -2.67822e+00 0.00000e+00 0.00000e+00 6.49288e+01 341.668 2.04262e+01 161.668 0.9393 
1 1 1 19 6  40 o 5  4.74726e+01 1.22177e+01 5.91146e+01 62.727  1.92556e+00  3.73504e+00  0.00000e+00 0.00000e+00 4.28498e+01 62.727  1.62648e+01 242.727 0.8709 
1 1 1 19 6  41 o 19 1.55800e+02 5.92148e+00 1.92957e+02 186.447 -5.63801e+01 -6.37110e+00 0.00000e+00 0.00000e+00 1.86569e+02 186.447 6.38775e+00 6.447   0.9911 
1 1 1 19 6  42 o 5  4.20973e+01 1.14799e+01 4.17331e+01 50.704  1.97794e+00  2.41691e+00  0.00000e+00 0.00000e+00 4.26691e+01 50.704  9.36010e-01 50.704  0.8187 
1 1 1 19 6  43 o 5  3.98842e+01 1.10784e+01 2.03947e+01 196.100 -1.46678e+00 -4.23375e-01 0.00000e+00 0.00000e+00 3.82538e+01 196.100 1.78591e+01 196.100 0.6027 
1 1 1 19 6  44 o 9  7.11724e+01 1.10206e+01 4.51200e+01 241.361 -3.05959e+00 -5.60251e+00 0.00000e+00 0.00000e+00 1.13691e+02 241.361 6.85715e+01 241.361 0.9179 
1 1 1 19 6  45 o 19 5.86221e+01 1.24062e+01 2.96204e+01 156.147 -2.90164e+00 1.28300e+00  0.00000e+00 0.00000e+00 8.70640e+01 156.147 5.74436e+01 156.147 0.8220 
1 1 1 19 6  46 o 2  4.65267e+01 1.21259e+01 3.32891e+01 239.965 -1.58998e+00 -2.75005e+00 0.00000e+00 0.00000e+00 5.89863e+01 239.965 2.56972e+01 239.965 0.8222 
1 1 1 19 6  47 o 11 4.42173e+01 1.22480e+01 4.02210e+01 55.691  1.99652e+00  2.92577e+00  0.00000e+00 0.00000e+00 4.93573e+01 55.691  9.13623e+00 55.691  0.8433 
1 1 1 19 7  0  o 13 2.61822e+01 1.73389e+01 7.89439e+01 180.000 -7.08381e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.66844e+01 0.000   1.15628e+02 0.000   0.6097 
1 1 1 19 7  1  o 19 1.22070e+02 8.04614e+00 1.45870e+02 280.038 2.30572e+00  -1.30263e+01 0.00000e+00 0.00000e+00 1.64826e+02 280.038 1.89557e+01 280.038 0.9614 
1 1 1 19 7  2  o 13 1.57018e+02 6.02312e+00 2.13665e+02 170.081 -2.52354e+01 4.41301e+00  0.00000e+00 0.00000e+00 1.93767e+02 170.081 1.98979e+01 350.081 0.9803 
1 1 1 19 7  3  o 8  1.90616e+02 5.04073e+00 2.34003e+02 85.100  2.93719e+00  3.42588e+01  0.00000e+00 0.00000e+00 2.63060e+02 85.100  2.90569e+01 85.100  0.9853 
1 1 1 19 7  4  o 13 5.92936e+01 1.28922e+01 9.55201e+01 250.210 -1.29012e+00 -3.58546e+00 0.00000e+00 0.00000e+00 3.87319e+01 250.210 5.67882e+01 70.210  0.8558 
1 1 1 19 7  5  o 8  1.26128e+02 6.60625e+00 1.38590e+02 136.338 -9.52314e+00 9.08826e+00  0.00000e+00 0.00000e+00 1.82039e+02 136.338 4.34493e+01 136.338 0.9612 
1 1 1 19 7  6  o 9  5.81318e+01 1.16109e+01 1.24544e+02 343.850 4.78652e+00  -1.38607e+00 0.00000e+00 0.00000e+00 1.26755e+01 343.850 1.11869e+02 163.850 0.8930 
1 1 1 19 7  7  o 7  1.77070e+02 5.22573e+00 2.21638e+02 55.557  1.68648e+01  2.45912e+01  0.00000e+00 0.00000e+00 2.38248e+02 55.557  1.66098e+01 55.557  0.9831 
1 1 1 19 7  8  o 17 1.33588e+02 6.21886e+00 1.90746e+02 308.810 1.21983e+01  -1.51664e+01 0.00000e+00 0.00000e+00 1.52766e+02 308.810 3.79794e+01 128.810 0.9740 
1 1 1 19 7  9  f 0  9.60974e+01 8.60384e+00 2.38003e+02 293.033 6.56777e+00  -1.54477e+01 0.00000e+00 0.00000e+00 7.85239e+00 293.033 2.30151e+02 113.033 0.9697 
1 1 1 19 7  10 o 12 5.40440e+01 1.23709e+01 3.72913e+01 230.328 -8.72774e-01 -1.05230e+00 0.00000e+00 0.00000e+00 4.27066e+01 230.328 5.41535e+00 230.328 0.5615 
1 1 1 19 7  11 o 11 2.33903e+02 5.45570e+00 2.45477e+02 299.083 2.11436e+01  -3.80135e+01 0.00000e+00 0.00000e+00 3.63428e+02 299.083 1.17951e+02 299.083 0.9884 
1 1 1 19 7  12 o 10 2.12242e+02 5.58034e+00 3.72014e+02 29.698  5.28824e+01  3.01609e+01  0.00000e+00 0.00000e+00 1.81805e+02 29.698  1.90209e+02 209.698 0.9918 
1 1 1 19 7  13 o 16 5.14279e+01 1.31806e+01 8.10044e+01 68.382  1.02731e+00  2.59227e+00  0.00000e+00 0.00000e+00 2.61863e+01 68.382  5.48181e+01 248.382 0.7930 
1 1 1 19 7  14 o 14 1.24239e+02 7.81902e+00 1.43089e+02 55.318  8.21332e+00  1.18694e+01  0.00000e+00 0.00000e+00 1.71550e+02 55.318  2.84605e+01 55.318  0.9647 
1 1 1 19 7  15 o 4  3.75117e+01 1.17646e+01 4.85434e+01 42.176  1.00466e+00  9.10212e-01  0.00000e+00 0.00000e+00 6.37378e+00 42.176  4.21696e+01 222.176 0.5584 
1 1 1 19 7  16 o 17 6.59560e+01 1.18645e+01 7.83770e+01 188.463 -3.76737e+00 -5.60535e-01 0.00000e+00 0.00000e+00 6.94094e+01 188.463 8.96761e+00 8.463   0.8557 
1 1 1 19 7  17 o 4  9.73860e+01 8.62996e+00 9.77607e+01 164.146 -6.97383e+00 1.98050e+00  0.00000e+00 0.00000e+00 1.38593e+02 164.146 4.08327e+01 164.146 0.9282 
1 1 1 19 7  18 o 12 2.12073e+02 4.91662e+00 2.16767e+02 142.344 -2.88733e+01 2.22803e+01  0.00000e+00 0.00000e+00 3.29251e+02 142.344 1.12484e+02 142.344 0.9862 
1 1 1 19 7  19 o 12 8.56727e+01 8.94946e+00 8.44797e+01 321.038 5.26635e+00  -4.25887e+00 0.00000e+00 0.00000e+00 1.21615e+02 321.038 3.71353e+01 321.038 0.9229 
1 1 1 19 7  20 f 0  1.59034e+02 5.51816e+00 1.59348e+02 219.226 -1.74370e+01 -1.42345e+01 0.00000e+00 0.00000e+00 2.45186e+02 219.226 8.58386e+01 219.226 0.9775 
1 1 1 19 7  21 o 9  1.30021e+02 6.23305e+00 2.18132e+02 176.159 -2.46089e+01 1.65215e+00  0.00000e+00 0.00000e+00 1.12687e+02 176.159 1.05445e+02 356.159 0.9795 
1 1 1 19 7  22 o 6  2.03163e+02 5.05157e+00 2.42494e+02 269.863 -1.30146e-01 -5.42736e+01 0.00000e+00 0.00000e+00 2.79384e+02 269.863 3.68900e+01 269.863 0.9907 
1 1 1 19 7  23 o 4  3.91005e+01 1.07563e+01 2.95748e+01 7.557   1.15488e+00  1.53217e-01  0.00000e+00 0.00000e+00 2.11989e+01 7.557   8.37591e+00 187.557 0.5018 
1 1 1 19 7  24 o 4  6.30977e+01 1.07743e+01 8.05117e+01 350.791 4.99361e+00  -8.09570e-01 0.00000e+00 0.00000e+00 6.52838e+01 350.791 1.52279e+01 170.791 0.8947 
1 1 1 19 7  25 o 9  3.00798e+01 9.76238e+00 2.04022e+01 70.964  1.95854e-01  5.67649e-01  0.00000e+00 0.00000e+00 1.88210e+00 70.964  1.85201e+01 250.964 0.2875 
1 1 1 19 7  26 o 8  1.17919e+02 6.42248e+00 1.49599e+02 341.026 2.05964e+01  -7.08143e+00 0.00000e+00 0.00000e+00 1.46571e+02 341.026 3.02837e+00 161.026 0.9768 
1 1 1 19 7  27 o 19 2.98766e+01 9.65539e+00 3.47804e+01 273.322 7.27520e-02  -1.25348e+00 0.00000e+00 0.00000e+00 5.81748e+00 273.322 2.89630e+01 93.322  0.5297 
1 1 1 19 7  28 o 19 9.68736e+01 2.35180e+01 1.07913e+02 32.282  6.19617e+00  3.91433e+00  0.00000e+00 0.00000e+00 1.22432e+02 32.282  1.45194e+01 32.282  0.9290 
1 1 1 19 7  29 o 5  6.85930e+01 2.49965e+01 3.26213e+01 317.293 9.55587e-01  -8.82018e-01 0.00000e+00 0.00000e+00 6.24361e+01 317.293 2.98147e+01 317.293 0.5428 
1 1 1 19 7  30 o 16 7.00321e+01 1.00142e+01 6.90706e+01 194.292 -6.18023e+00 -1.57443e+00 0.00000e+00 0.00000e+00 9.46263e+01 194.292 2.55558e+01 194.292 0.9179 
1 1 1 19 7  31 o 4  1.47564e+02 5.56048e+00 1.80513e+02 14.840  3.91037e+01  1.03606e+01  0.00000e+00 0.00000e+00 1.89631e+02 14.840  9.11787e+00 14.840  0.9876 
1 1 1 19 7  32 o 16 4.97328e+01 1.15357e+01 4.19561e+01 136.021 -1.82196e+00 1.75813e+00  0.00000e+00 0.00000e+00 5.48473e+01 136.021 1.28912e+01 136.021 0.7684 
1 1 1 19 7  33 o 6  8.49033e+01 8.21009e+00 1.23827e+02 26.743  1.33432e+01  6.72359e+00  0.00000e+00 0.00000e+00 8.33306e+01 26.743  4.04962e+01 206.743 0.9659 
1 1 1 19 7  34 o 3  9.20106e+01 9.27208e+00 1.13835e+02 356.672 1.48130e+01  -8.61249e-01 0.00000e+00 0.00000e+00 1.09960e+02 356.672 3.87570e+00 176.672 0.9657 
1 1 1 19 7  35 o 19 5.85066e+01 1.05299e+01 6.29570e+01 129.640 -3.52581e+00 4.25593e+00  0.00000e+00 0.00000e+00 6.99067e+01 129.640 6.94969e+00 129.640 0.9043 
1 1 1 19 7  36 o 18 4.10635e+01 1.14590e+01 6.40413e+01 356.542 3.79128e+00  -2.29079e-01 0.00000e+00 0.00000e+00 2.38852e+01 356.542 4.01561e+01 176.542 0.8553 
1 1 1 19 7  37 o 10 6.22725e+01 1.10801e+01 7.75261e+01 187.348 -6.84849e+00 -8.83202e-01 0.00000e+00 0.00000e+00 6.61441e+01 187.348 1.13821e+01 7.348   0.9245 
1 1 1 19 7  38 o 9  4.26079e+01 1.14967e+01 5.15988e+01 258.076 -7.14501e-01 -3.38338e+00 0.00000e+00 0.00000e+00 3.73148e+01 258.076 1.42840e+01 78.075  0.8389 
1 1 1 19 7  39 o 12 4.55034e+01 1.12608e+01 5.65122e+01 28.987  3.51990e+00  1.95009e+00  0.00000e+00 0.00000e+00 4.10124e+01 28.987  1.54998e+01 208.987 0.8644 
1 1 1 19 7  40 o 3  1.03719e+02 8.49508e+00 1.09339e+02 175.233 -1.96968e+01 1.64242e+00  0.00000e+00 0.00000e+00 1.40372e+02 175.233 3.10334e+01 175.233 0.9744 
1 1 1 19 7  41 o 11 4.17122e+01 1.09976e+01 4.30330e+01 258.154 -6.72289e-01 -3.20522e+00 0.00000e+00 0.00000e+00 4.20522e+01 258.154 9.80760e-01 78.154  0.8284 
1 1 1 19 7  42 o 19 6.01741e+01 1.13830e+01 1.17218e+02 120.213 -6.57339e+00 1.12881e+01  0.00000e+00 0.00000e+00 2.46492e+01 120.213 9.25690e+01 300.213 0.9609 
1 1 1 19 7  43 o 6  3.69945e+01 1.09205e+01 4.64499e+01 167.427 -3.36017e+00 7.49432e-01  0.00000e+00 0.00000e+00 2.93381e+01 167.427 1.71118e+01 347.427 0.8381 
1 1 1 19 7  44 o 19 7.63193e+01 1.07290e+01 6.73459e+01 261.387 -1.54290e+00 -1.01869e+01 0.00000e+00 0.00000e+00 1.09254e+02 261.387 4.19079e+01 261.387 0.9502 
1 1 1 19 7  45 f 0  4.44318e+01 1.12659e+01 2.73615e+01 346.104 2.55371e+00  -6.31800e-01 0.00000e+00 0.00000e+00 5.65546e+01 346.104 2.91931e+01 346.104 0.7785 
1 1 1 19 7  46 o 15 9.53910e+01 8.55273e+00 8.81718e+01 295.051 8.72890e+00  -1.86755e+01 0.00000e+00 0.00000e+00 1.36679e+02 295.051 4.85072e+01 295.051 0.9754 
1 1 1 19 8  0  f 0  5.97257e+01 2.00859e+01 9.81340e+01 0.000   1.91355e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.35722e+01 0.000   4.45618e+01 180.000 0.9574 
1 1 1 19 8  1  o 12 4.96820e+01 1.21538e+01 8.20082e+01 39.183  2.16278e+00  1.76287e+00  0.00000e+00 0.00000e+00 2.25401e+01 39.183  5.94681e+01 219.183 0.7932 
1 1 1 19 8  2  o 7  2.17513e+02 4.92049e+00 2.61881e+02 98.458  -6.45714e+00 4.34217e+01  0.00000e+00 0.00000e+00 3.08496e+02 98.458  4.66151e+01 98.458  0.9885 
1 1 1 19 8  3  o 10 8.41589e+01 1.00936e+01 1.77725e+02 22.492  9.85312e+00  4.07978e+00  0.00000e+00 0.00000e+00 3.47342e+01 22.492  1.42991e+02 202.492 0.9519 
1 1 1 19 8  4  o 3  6.31236e+01 1.22228e+01 6.78592e+01 321.513 2.28359e+00  -1.81562e+00 0.00000e+00 0.00000e+00 6.66451e+01 321.513 1.21416e+00 141.513 0.8037 
1 1 1 19 8  5  o 11 3.30785e+01 1.03276e+01 2.93719e+01 325.720 5.81080e-01  -3.96094e-01 0.00000e+00 0.00000e+00 3.07427e-01 145.720 2.96793e+01 145.720 0.3315 
1 1 1 19 8  6  o 10 6.50795e+01 1.21380e+01 3.56524e+01 225.351 -1.13265e+00 -1.14661e+00 0.00000e+00 0.00000e+00 7.16743e+01 225.351 3.60220e+01 225.351 0.6226 
1 1 1 19 8  7  o 10 3.77353e+01 1.12220e+01 6.92449e+01 65.042  7.78531e-01  1.67280e+00  0.00000e+00 0.00000e+00 2.24637e+00 245.042 7.14912e+01 245.042 0.6706 
1 1 1 19 8  8  o 11 8.63772e+01 8.82436e+00 7.25287e+01 224.842 -3.27042e+00 -3.25241e+00 0.00000e+00 0.00000e+00 1.29393e+02 224.842 5.68647e+01 224.842 0.8835 
1 1 1 19 8  9  o 9  1.60230e+02 5.94247e+00 2.12018e+02 23.811  2.37522e+01  1.04815e+01  0.00000e+00 0.00000e+00 2.03368e+02 23.811  8.65062e+00 203.811 0.9805 
1 1 1 19 8  10 o 18 1.73832e+02 5.33282e+00 2.20473e+02 2.668   3.23722e+01  1.50843e+00  0.00000e+00 0.00000e+00 2.31597e+02 2.668   1.11237e+01 2.668   0.9844 
1 1 1 19 8  11 o 8  6.64577e+01 1.11903e+01 1.66694e+02 278.051 1.17740e+00  -8.32380e+00 0.00000e+00 0.00000e+00 2.08072e+00 98.051  1.68775e+02 98.051  0.9385 
1 1 1 19 8  12 o 13 1.16367e+02 6.63961e+00 1.32425e+02 97.441  -1.63725e+00 1.25364e+01  0.00000e+00 0.00000e+00 1.62003e+02 97.441  2.95777e+01 97.441  0.9596 
1 1 1 19 8  13 f 0  1.64325e+02 5.24494e+00 1.86855e+02 204.595 -2.25780e+01 -1.03347e+01 0.00000e+00 0.00000e+00 2.37144e+02 204.595 5.02892e+01 204.595 0.9797 
1 1 1 19 8  14 o 16 9.52749e+01 8.61418e+00 8.46226e+01 188.590 -6.09521e+00 -9.20758e-01 0.00000e+00 0.00000e+00 1.44680e+02 188.590 6.00571e+01 188.590 0.9148 
1 1 1 19 8  15 o 13 9.31533e+01 1.13010e+01 1.36074e+02 344.420 8.79160e+00  -2.45131e+00 0.00000e+00 0.00000e+00 9.48596e+01 344.420 4.12149e+01 164.420 0.9435 
1 1 1 19 8  16 o 4  9.60642e+01 1.02178e+01 1.13421e+02 291.691 3.68322e+00  -9.25967e+00 0.00000e+00 0.00000e+00 1.25646e+02 291.691 1.22250e+01 291.691 0.9484 
1 1 1 19 8  17 o 4  1.43093e+02 6.91242e+00 1.95300e+02 26.367  2.43543e+01  1.20720e+01  0.00000e+00 0.00000e+00 1.72677e+02 26.367  2.26229e+01 206.367 0.9814 
1 1 1 19 8  18 o 4  4.91014e+01 1.29341e+01 2.75298e+01 254.819 -2.71156e-01 -9.99329e-01 0.00000e+00 0.00000e+00 3.14112e+01 254.819 3.88140e+00 254.819 0.4588 
1 1 1 19 8  19 o 9  4.33188e+01 1.09908e+01 5.98971e+01 137.366 -1.86974e+00 1.72139e+00  0.00000e+00 0.00000e+00 2.71676e+01 137.366 3.27295e+01 317.366 0.7694 
1 1 1 19 8  20 o 5  1.34469e+02 6.54888e+00 1.17326e+02 188.287 -1.68116e+01 -2.44869e+00 0.00000e+00 0.00000e+00 2.22850e+02 188.287 1.05524e+02 188.287 0.9701 
1 1 1 19 8  21 o 14 7.32148e+01 1.06163e+01 9.48931e+01 116.057 -3.09248e+00 6.32464e+00  0.00000e+00 0.00000e+00 8.15865e+01 116.057 1.33067e+01 296.057 0.9260 
1 1 1 19 8  22 o 5  7.36223e+01 1.08019e+01 1.19514e+02 296.908 3.97363e+00  -7.82969e+00 0.00000e+00 0.00000e+00 6.05315e+01 296.908 5.89824e+01 116.908 0.9412 
1 1 1 19 8  23 o 4  9.09146e+01 8.29446e+00 1.85203e+02 184.682 -1.70649e+01 -1.39764e+00 0.00000e+00 0.00000e+00 4.35698e+01 184.682 1.41633e+02 4.682   0.9703 
1 1 1 19 8  24 o 8  1.45981e+02 5.66488e+00 1.90572e+02 308.349 2.17561e+01  -2.74994e+01 0.00000e+00 0.00000e+00 1.81802e+02 308.349 8.77071e+00 128.349 0.9856 
1 1 1 19 8  25 o 3  3.40356e+01 1.01021e+01 5.77188e+01 329.849 1.90080e+00  -1.10411e+00 0.00000e+00 0.00000e+00 6.25183e+00 329.849 5.14670e+01 149.849 0.7278 
1 1 1 19 8  26 o 5  1.86068e+02 5.42967e+00 2.47049e+02 46.783  4.19573e+01  4.46527e+01  0.00000e+00 0.00000e+00 2.28494e+02 46.783  1.85548e+01 226.782 0.9918 
1 1 1 19 8  28 o 4  7.17592e+01 1.03447e+01 9.73163e+01 318.332 6.85366e+00  -6.09942e+00 0.00000e+00 0.00000e+00 7.63977e+01 318.332 2.09187e+01 138.332 0.9438 
1 1 1 19 8  29 o 7  1.09295e+02 6.73722e+00 1.55163e+02 175.404 -2.52314e+01 2.02809e+00  0.00000e+00 0.00000e+00 1.18899e+02 175.404 3.62639e+01 355.404 0.9800 
1 1 1 19 8  30 o 14 4.23478e+01 1.09545e+01 3.95658e+00 306.013 1.23100e-01  -1.69350e-01 0.00000e+00 0.00000e+00 7.29541e+00 306.013 3.33883e+00 306.013 0.1041 
1 1 1 19 8  31 o 7  1.01300e+02 7.71413e+00 9.68943e+01 44.151  9.60530e+00  9.32491e+00  0.00000e+00 0.00000e+00 1.51127e+02 44.151  5.42330e+01 44.151  0.9619 
1 1 1 19 8  32 o 3  5.50074e+01 1.16583e+01 2.37810e+01 303.932 9.21511e-01  -1.36970e+00 0.00000e+00 0.00000e+00 6.43663e+01 303.932 4.05853e+01 303.932 0.6313 
1 1 1 19 8  33 o 2  7.14057e+01 1.02353e+01 1.30428e+02 309.638 8.12463e+00  -9.80772e+00 0.00000e+00 0.00000e+00 4.30773e+01 309.638 8.73511e+01 129.638 0.9599 
1 1 1 19 8  34 o 3  4.70785e+01 1.18773e+01 5.21095e+01 266.104 -2.36163e-01 -3.46776e+00 0.00000e+00 0.00000e+00 4.76866e+01 266.104 4.42286e+00 86.104  0.8398 
1 1 1 19 8  35 o 17 4.93488e+01 1.12436e+01 7.19256e+01 116.364 -2.29309e+00 4.62675e+00  0.00000e+00 0.00000e+00 3.94782e+01 116.364 3.24474e+01 296.364 0.8970 
1 1 1 19 8  36 o 4  5.83873e+01 1.12944e+01 4.95987e+01 70.596  1.36280e+00  3.86904e+00  0.00000e+00 0.00000e+00 7.74533e+01 70.596  2.78546e+01 70.596  0.8673 
1 1 1 19 8  37 o 15 7.82281e+01 9.94601e+00 1.07837e+02 47.886  9.51140e+00  1.05214e+01  0.00000e+00 0.00000e+00 8.07810e+01 47.886  2.70562e+01 227.886 0.9641 
1 1 1 19 8  38 o 10 8.83877e+01 8.22436e+00 6.70011e+01 264.421 -1.02942e+00 -1.05385e+01 0.00000e+00 0.00000e+00 1.42662e+02 264.421 7.56614e+01 264.421 0.9515 
1 1 1 19 8  39 o 6  8.57917e+01 8.63110e+00 7.65992e+01 207.437 -1.11000e+01 -5.76291e+00 0.00000e+00 0.00000e+00 1.27854e+02 207.437 5.12543e+01 207.437 0.9591 
1 1 1 19 8  40 o 11 1.11048e+02 7.56404e+00 1.31047e+02 182.956 -3.09783e+01 -1.59990e+00 0.00000e+00 0.00000e+00 1.39457e+02 182.956 8.40950e+00 182.956 0.9837 
1 1 1 19 8  41 o 19 2.89924e+01 9.60804e+00 5.53823e+01 108.372 -1.02475e+00 3.08550e+00  0.00000e+00 0.00000e+00 3.77891e+00 108.372 5.16034e+01 288.372 0.8270 
1 1 1 19 8  42 f 0  6.16112e+01 9.30087e+00 5.31082e+01 167.892 -6.97666e+00 1.49670e+00  0.00000e+00 0.00000e+00 8.73202e+01 167.892 3.42120e+01 167.892 0.9270 
1 1 1 19 8  43 o 9  3.59289e+01 1.10028e+01 3.70125e+01 317.284 2.09509e+00  -1.93439e+00 0.00000e+00 0.00000e+00 3.32577e+01 317.284 3.75479e+00 137.284 0.7984 
1 1 1 19 8  44 o 7  6.06853e+01 1.19075e+01 6.15270e+01 272.862 3.88435e-01  -7.77085e+00 0.00000e+00 0.00000e+00 7.67042e+01 272.862 1.51772e+01 272.862 0.9333 
1 1 1 19 8  45 o 11 3.53994e+01 1.07198e+01 4.34744e+01 229.963 -2.16243e+00 -2.57375e+00 0.00000e+00 0.00000e+00 2.82618e+01 229.963 1.52126e+01 49.963  0.8335 
1 1 1 19 9  0  o 2  1.43687e+02 8.51704e+00 9.30127e+01 0.000   5.61890e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.89118e+02 0.000   1.96106e+02 0.000   1.0000 
1 1 1 19 9  1  o 9  1.44957e+02 6.22069e+00 2.03730e+02 298.061 1.16462e+01  -2.18473e+01 0.00000e+00 0.00000e+00 1.73904e+02 298.061 2.98254e+01 118.061 0.9796 
1 1 1 19 9  2  o 3  1.72589e+02 5.18302e+00 1.70653e+02 81.927  3.51086e+00  2.47512e+01  0.00000e+00 0.00000e+00 2.79001e+02 81.927  1.08348e+02 81.927  0.9798 
1 1 1 19 9  3  o 17 1.67840e+02 5.27809e+00 1.62551e+02 47.509  1.56009e+01  1.70311e+01  0.00000e+00 0.00000e+00 2.73884e+02 47.509  1.11333e+02 47.509  0.9781 
1 1 1 19 9  4  o 11 1.05523e+02 7.39759e+00 1.33216e+02 154.648 -1.04178e+01 4.93601e+00  0.00000e+00 0.00000e+00 1.34779e+02 154.648 1.56258e+00 154.648 0.9556 
1 1 1 19 9  5  o 19 9.46707e+01 7.93213e+00 1.30449e+02 145.673 -8.26840e+00 5.64597e+00  0.00000e+00 0.00000e+00 1.08148e+02 145.673 2.23005e+01 325.673 0.9487 
1 1 1 19 9  6  o 18 1.28570e+02 6.57272e+00 2.02887e+02 288.269 6.75161e+00  -2.04517e+01 0.00000e+00 0.00000e+00 1.30496e+02 288.269 7.23909e+01 108.269 0.9765 
1 1 1 19 9  7  o 17 1.34882e+02 6.54653e+00 1.25550e+02 353.794 1.35154e+01  -1.46973e+00 0.00000e+00 0.00000e+00 2.18989e+02 353.794 9.34395e+01 353.794 0.9625 
1 1 1 19 9  8  o 12 3.82995e+01 1.13767e+01 4.23909e+01 10.743  1.16781e+00  2.21579e-01  0.00000e+00 0.00000e+00 9.33795e+00 10.743  3.30529e+01 190.743 0.5093 
1 1 1 19 9  9  o 2  1.09015e+02 7.54585e+00 1.23429e+02 228.219 -7.02645e+00 -7.86399e+00 0.00000e+00 0.00000e+00 1.51430e+02 228.219 2.80004e+01 228.219 0.9513 
1 1 1 19 9  10 o 19 1.89159e+02 4.84628e+00 2.90703e+02 98.894  -6.86421e+00 4.38640e+01  0.00000e+00 0.00000e+00 2.04533e+02 98.894  8.61704e+01 278.894 0.9887 
1 1 1 19 9  11 o 12 4.03672e+01 1.14861e+01 7.82092e+01 130.840 -1.84712e+00 2.13687e+00  0.00000e+00 0.00000e+00 6.81665e+00 130.840 7.13926e+01 310.840 0.7961 
1 1 1 19 9  12 o 18 6.31488e+01 1.14229e+01 5.15995e+01 329.775 2.50949e+00  -1.46204e+00 0.00000e+00 0.00000e+00 8.23690e+01 329.775 3.07695e+01 329.775 0.8027 
1 1 1 19 9  13 o 7  6.32653e+01 1.12046e+01 8.80010e+01 4.310   4.94766e+00  3.72885e-01  0.00000e+00 0.00000e+00 6.10750e+01 4.310   2.69260e+01 184.310 0.8925 
1 1 1 19 9  14 o 10 5.38969e+01 1.08840e+01 9.05497e+01 264.719 -3.65201e-01 -3.95127e+00 0.00000e+00 0.00000e+00 3.20103e+01 264.719 5.85393e+01 84.719  0.8623 
1 1 1 19 9  15 f 0  5.70113e+01 1.13484e+01 6.48345e+01 85.878  2.12146e-01  2.94344e+00  0.00000e+00 0.00000e+00 5.62390e+01 85.878  8.59547e+00 265.878 0.8063 
1 1 1 19 9  16 o 18 5.97190e+01 1.14631e+01 8.40914e+01 73.061  1.41850e+00  4.65749e+00  0.00000e+00 0.00000e+00 5.57492e+01 73.061  2.83421e+01 253.061 0.8902 
1 1 1 19 9  17 o 5  7.68431e+01 9.74786e+00 1.29059e+02 39.139  7.75828e+00  6.31377e+00  0.00000e+00 0.00000e+00 6.24043e+01 39.139  6.66551e+01 219.139 0.9486 
1 1 1 19 9  18 o 4  1.53989e+02 5.78693e+00 2.24943e+02 5.025   3.93535e+01  3.46058e+00  0.00000e+00 0.00000e+00 1.73767e+02 5.025   5.11765e+01 185.025 0.9873 
1 1 1 19 9  19 o 6  1.70765e+02 6.17939e+00 2.45717e+02 87.050  2.42174e+00  4.69913e+01  0.00000e+00 0.00000e+00 1.96645e+02 87.050  4.90724e+01 267.050 0.9893 
1 1 1 19 9  20 o 3  5.22631e+01 1.21512e+01 5.93555e+01 207.533 -2.55543e+00 -1.33215e+00 0.00000e+00 0.00000e+00 5.00553e+01 207.533 9.30026e+00 27.533  0.8009 
1 1 1 19 9  21 o 10 5.19117e+01 1.31283e+01 9.01778e+01 221.010 -3.15775e+00 -2.74592e+00 0.00000e+00 0.00000e+00 2.77078e+01 221.010 6.24700e+01 41.010  0.8703 
1 1 1 19 9  22 o 14 9.67412e+01 9.17976e+00 6.43742e+01 21.363  6.74198e+00  2.63716e+00  0.00000e+00 0.00000e+00 1.69483e+02 21.363  1.05109e+02 21.363  0.9281 
1 1 1 19 9  23 o 19 1.24763e+02 6.57660e+00 1.41695e+02 211.230 -1.99772e+01 -1.21127e+01 0.00000e+00 0.00000e+00 1.75611e+02 211.230 3.39156e+01 211.230 0.9784 
1 1 1 19 9  24 o 9  5.79454e+01 2.78727e+01 1.06028e+02 222.138 -2.65317e+00 -2.40056e+00 0.00000e+00 0.00000e+00 2.10092e+01 222.138 8.50183e+01 42.138  0.8451 
1 1 1 19 9  26 o 2  3.31694e+01 1.04437e+01 7.00776e+01 117.644 -1.41729e+00 2.70599e+00  0.00000e+00 0.00000e+00 3.38481e-01 297.644 7.04161e+01 297.644 0.8139 
1 1 1 19 9  27 o 3  9.41715e+01 8.09281e+00 6.90152e+01 176.506 -9.37624e+00 5.72485e-01  0.00000e+00 0.00000e+00 1.60377e+02 176.506 9.13622e+01 176.506 0.9452 
1 1 1 19 9  28 o 5  4.16693e+01 1.15469e+01 7.12815e+01 109.895 -1.28336e+00 3.54619e+00  0.00000e+00 0.00000e+00 2.02246e+01 109.895 5.10568e+01 289.895 0.8541 
1 1 1 19 9  29 o 7  1.30228e+02 6.69636e+00 1.60926e+02 280.324 5.29842e+00  -2.90849e+01 0.00000e+00 0.00000e+00 1.67381e+02 280.324 6.45562e+00 280.324 0.9829 
1 1 1 19 9  30 o 8  4.69816e+01 1.21667e+01 2.16092e+01 73.044  3.68767e-01  1.20950e+00  0.00000e+00 0.00000e+00 4.23683e+01 73.044  2.07591e+01 73.044  0.5323 
1 1 1 19 9  31 o 9  3.20478e+01 1.04109e+01 5.69446e+01 215.216 -2.04182e+00 -1.44118e+00 0.00000e+00 0.00000e+00 5.60312e+00 215.216 5.13415e+01 35.216  0.7649 
1 1 1 19 9  32 o 9  3.89791e+01 1.10911e+01 5.35137e+01 149.839 -2.66047e+00 1.54601e+00  0.00000e+00 0.00000e+00 2.73755e+01 149.839 2.61382e+01 329.839 0.8155 
1 1 1 19 9  33 o 16 5.97255e+01 1.06325e+01 9.25525e+01 77.844  1.75098e+00  8.12857e+00  0.00000e+00 0.00000e+00 4.95718e+01 77.844  4.29807e+01 257.844 0.9378 
1 1 1 19 9  34 o 13 5.44345e+01 1.21082e+01 8.88284e+01 200.969 -6.23849e+00 -2.39092e+00 0.00000e+00 0.00000e+00 3.81278e+01 200.969 5.07006e+01 20.970  0.9218 
1 1 1 19 9  35 o 1  4.30209e+01 1.16362e+01 4.16235e+01 347.797 2.75681e+00  -5.96182e-01 0.00000e+00 0.00000e+00 4.47408e+01 347.797 3.11725e+00 347.797 0.7958 
1 1 1 19 9  36 o 15 9.08490e+01 8.88276e+00 1.25880e+02 297.316 9.16001e+00  -1.77348e+01 0.00000e+00 0.00000e+00 9.68001e+01 297.316 2.90801e+01 117.316 0.9746 
1 1 1 19 9  37 o 14 8.59726e+01 9.57522e+00 9.91130e+01 256.188 -3.44396e+00 -1.40087e+01 0.00000e+00 0.00000e+00 1.08813e+02 256.188 9.69950e+00 256.188 0.9647 
1 1 1 19 9  38 o 9  1.35181e+02 6.67911e+00 1.15780e+02 160.392 -3.01500e+01 1.07407e+01  0.00000e+00 0.00000e+00 2.16708e+02 160.392 1.00928e+02 160.392 0.9843 
1 1 1 19 9  39 o 1  3.85962e+01 1.03368e+01 2.87726e+01 268.089 -6.96722e-02 -2.08810e+00 0.00000e+00 0.00000e+00 3.96620e+01 268.089 1.08894e+01 268.089 0.7119 
1 1 1 19 9  40 o 6  8.76097e+01 8.67157e+00 9.69877e+01 174.603 -1.92732e+01 1.82097e+00  0.00000e+00 0.00000e+00 1.14781e+02 174.603 1.77935e+01 174.603 0.9738 
1 1 1 19 9  41 o 4  4.85565e+01 1.08607e+01 2.60865e+01 170.440 -2.51706e+00 4.23942e-01  0.00000e+00 0.00000e+00 6.64653e+01 170.440 4.03789e+01 170.440 0.7706 
1 1 1 19 9  42 o 5  5.23093e+01 1.08463e+01 3.76018e+01 256.450 -9.96126e-01 -4.13320e+00 0.00000e+00 0.00000e+00 7.48910e+01 256.450 3.72892e+01 256.450 0.8725 
1 1 1 19 9  43 f 0  6.58273e+01 1.15817e+01 5.41848e+01 10.801  7.43869e+00  1.41910e+00  0.00000e+00 0.00000e+00 9.63783e+01 10.801  4.21934e+01 10.801  0.9314 
1 1 1 19 9  44 o 14 3.26722e+01 1.04683e+01 1.75626e+01 125.168 -8.11220e-01 1.15133e+00  0.00000e+00 0.00000e+00 2.82110e+01 125.168 1.06484e+01 125.168 0.5727 
1 1 1 19 10 0  o 7  5.96978e+01 2.13735e+01 4.40806e+01 180.000 -1.05998e+00 0.00000e+00  0.00000e+00 0.00000e+00 8.09943e+01 180.000 3.69138e+01 180.000 0.7857 
1 1 1 19 10 1  o 4  6.06727e+01 1.17352e+01 3.23612e+01 87.933  6.32077e-02  1.75094e+00  0.00000e+00 0.00000e+00 7.32174e+01 87.933  4.08562e+01 87.933  0.6526 
1 1 1 19 10 2  o 17 8.09027e+01 9.48098e+00 4.91881e+01 296.971 1.70647e+00  -3.35327e+00 0.00000e+00 0.00000e+00 1.34968e+02 296.971 8.57798e+01 296.971 0.8537 
1 1 1 19 10 3  o 19 1.34344e+02 6.10565e+00 1.70953e+02 332.432 2.05881e+01  -1.07486e+01 0.00000e+00 0.00000e+00 1.79370e+02 332.432 8.41672e+00 332.432 0.9782 
1 1 1 19 10 4  o 19 9.31821e+01 8.22736e+00 1.17142e+02 47.242  7.18594e+00  7.77144e+00  0.00000e+00 0.00000e+00 1.19139e+02 47.242  1.99721e+00 47.242  0.9515 
1 1 1 19 10 5  o 14 3.24550e+01 1.02862e+01 2.06729e+01 217.547 -4.90532e-01 -3.77035e-01 0.00000e+00 0.00000e+00 4.86860e+00 217.547 1.58043e+01 37.547  0.2954 
1 1 1 19 10 6  o 7  1.25765e+02 6.26536e+00 1.50557e+02 122.159 -1.00907e+01 1.60495e+01  0.00000e+00 0.00000e+00 1.75350e+02 122.159 2.47927e+01 122.159 0.9733 
1 1 1 19 10 7  o 2  4.51177e+01 1.16685e+01 4.69653e+01 324.448 1.52398e+00  -1.08915e+00 0.00000e+00 0.00000e+00 3.41738e+01 324.448 1.27915e+01 144.448 0.6758 
1 1 1 19 10 8  o 12 7.83685e+01 9.63740e+00 1.76226e+02 163.797 -1.11784e+01 3.24820e+00  0.00000e+00 0.00000e+00 2.30222e+01 163.797 1.53204e+02 343.797 0.9560 
1 1 1 19 10 9  o 11 9.04246e+01 8.71906e+00 1.55879e+02 202.583 -1.11305e+01 -4.62935e+00 0.00000e+00 0.00000e+00 7.42245e+01 202.583 8.16546e+01 22.583  0.9576 
1 1 1 19 10 10 o 4  1.59854e+02 5.57081e+00 1.66001e+02 276.898 2.85726e+00  -2.36170e+01 0.00000e+00 0.00000e+00 2.49433e+02 276.898 8.34318e+01 276.898 0.9788 
1 1 1 19 10 11 o 17 1.31391e+02 6.39109e+00 1.51303e+02 212.957 -1.46954e+01 -9.52760e+00 0.00000e+00 0.00000e+00 1.87154e+02 212.957 3.58513e+01 212.957 0.9710 
1 1 1 19 10 12 o 8  5.94031e+01 1.18534e+01 6.53272e+01 304.796 2.12714e+00  -3.06099e+00 0.00000e+00 0.00000e+00 6.88295e+01 304.796 3.50236e+00 304.796 0.8522 
1 1 1 19 10 13 o 17 1.10957e+02 7.20748e+00 9.48749e+01 112.679 -4.36579e+00 1.04474e+01  0.00000e+00 0.00000e+00 1.85581e+02 112.679 9.07058e+01 112.679 0.9548 
1 1 1 19 10 14 o 10 9.68463e+01 8.09176e+00 9.14456e+01 348.618 9.51879e+00  -1.91624e+00 0.00000e+00 0.00000e+00 1.51074e+02 348.618 5.96284e+01 348.618 0.9470 
1 1 1 19 10 15 o 3  8.43204e+01 8.38618e+00 6.75541e+01 319.090 4.65253e+00  -4.03154e+00 0.00000e+00 0.00000e+00 1.36143e+02 319.090 6.85890e+01 319.090 0.9147 
1 1 1 19 10 16 o 8  1.25795e+02 6.26290e+00 1.20605e+02 348.431 1.66719e+01  -3.41287e+00 0.00000e+00 0.00000e+00 2.01271e+02 348.431 8.06666e+01 348.431 0.9702 
1 1 1 19 10 17 o 16 8.22308e+01 8.58425e+00 1.01844e+02 13.465  8.33695e+00  1.99609e+00  0.00000e+00 0.00000e+00 1.01673e+02 13.465  1.71563e-01 193.465 0.9397 
1 1 1 19 10 18 o 4  1.11243e+02 6.65431e+00 1.16335e+02 352.145 1.35392e+01  -1.86796e+00 0.00000e+00 0.00000e+00 1.65290e+02 352.145 4.89547e+01 352.145 0.9627 
1 1 1 19 10 19 o 6  9.18109e+01 7.82227e+00 9.62457e+01 124.589 -6.07875e+00 8.81527e+00  0.00000e+00 0.00000e+00 1.33259e+02 124.589 3.70129e+01 124.589 0.9521 
1 1 1 19 10 20 o 7  1.23304e+02 6.33817e+00 1.69983e+02 337.838 2.59937e+01  -1.05877e+01 0.00000e+00 0.00000e+00 1.47400e+02 337.838 2.25830e+01 157.838 0.9820 
1 1 1 19 10 21 o 9  1.23631e+02 7.03571e+00 1.47755e+02 22.671  2.19882e+01  9.18472e+00  0.00000e+00 0.00000e+00 1.68862e+02 22.671  2.11073e+01 22.671  0.9788 
1 1 1 19 10 23 o 8  8.56253e+01 9.41888e+00 6.23274e+01 266.133 -4.94951e-01 -7.32264e+00 0.00000e+00 0.00000e+00 1.45045e+02 266.133 8.27177e+01 266.133 0.9291 
1 1 1 19 10 24 f 0  1.48826e+02 7.32254e+00 2.18560e+02 97.937  -6.52006e+00 4.67628e+01  0.00000e+00 0.00000e+00 1.64456e+02 97.937  5.41035e+01 277.937 0.9894 
1 1 1 19 10 25 o 7  4.10180e+01 1.25436e+01 2.09557e+01 84.846  9.53083e-02  1.05674e+00  0.00000e+00 0.00000e+00 2.88314e+01 84.846  7.87570e+00 84.846  0.4676 
1 1 1 19 10 26 o 6  7.37946e+01 1.27629e+01 8.97382e+01 163.375 -7.46110e+00 2.22777e+00  0.00000e+00 0.00000e+00 8.86639e+01 163.375 1.07432e+00 343.375 0.9334 
1 1 1 19 10 27 o 17 3.80131e+01 1.14586e+01 6.22854e+01 343.254 2.94006e+00  -8.84645e-01 0.00000e+00 0.00000e+00 1.77788e+01 343.254 4.45066e+01 163.254 0.8150 
1 1 1 19 10 28 o 19 5.00165e+01 1.25166e+01 5.33854e+01 127.622 -2.00746e+00 2.60464e+00  0.00000e+00 0.00000e+00 5.35411e+01 127.622 1.55750e-01 127.622 0.8292 
1 1 1 19 10 29 o 14 4.19179e+01 1.13545e+01 1.63841e+01 344.885 8.79672e-01  -2.37597e-01 0.00000e+00 0.00000e+00 2.82498e+01 344.885 1.18657e+01 344.885 0.4140 
1 1 1 19 10 30 o 5  6.58680e+01 1.17423e+01 5.64002e+01 176.844 -5.34347e+00 2.94663e-01  0.00000e+00 0.00000e+00 9.58265e+01 176.844 3.94262e+01 176.844 0.9009 
1 1 1 19 10 31 o 2  1.57788e+02 5.78631e+00 1.88179e+02 46.903  3.62508e+01  3.87428e+01  0.00000e+00 0.00000e+00 2.11690e+02 46.903  2.35107e+01 46.903  0.9905 
1 1 1 19 10 32 o 14 3.54039e+01 1.08359e+01 3.48344e+01 331.279 1.58391e+00  -8.67936e-01 0.00000e+00 0.00000e+00 2.50766e+01 331.279 9.75783e+00 151.279 0.6632 
1 1 1 19 10 33 o 12 8.02994e+01 9.31937e+00 9.62554e+01 224.557 -9.66846e+00 -9.52015e+00 0.00000e+00 0.00000e+00 1.00376e+02 224.557 4.12021e+00 224.557 0.9624 
1 1 1 19 10 34 o 7  2.98247e+01 9.76391e+00 5.04580e+01 290.024 8.74621e-01  -2.39993e+00 0.00000e+00 0.00000e+00 7.86353e+00 290.024 4.25945e+01 110.024 0.7708 
1 1 1 19 10 35 o 1  4.03633e+01 1.12631e+01 3.38437e+01 79.795  3.84002e-01  2.13323e+00  0.00000e+00 0.00000e+00 4.00191e+01 79.795  6.17545e+00 79.795  0.7235 
1 1 1 19 10 36 o 1  9.44496e+01 7.99068e+00 9.35915e+01 302.868 9.44309e+00  -1.46150e+01 0.00000e+00 0.00000e+00 1.37637e+02 302.868 4.40453e+01 302.868 0.9708 
1 1 1 19 10 37 o 13 4.18154e+01 1.18738e+01 6.20156e+01 21.721  4.22633e+00  1.68367e+00  0.00000e+00 0.00000e+00 3.06718e+01 21.721  3.13438e+01 201.721 0.8818 
1 1 1 19 10 38 o 12 6.03061e+01 1.17854e+01 6.56422e+01 192.246 -7.05657e+00 -1.53157e+00 0.00000e+00 0.00000e+00 7.45740e+01 192.246 8.93181e+00 192.246 0.9279 
1 1 1 19 10 39 o 7  4.90268e+01 1.27359e+01 3.38884e+01 344.955 2.92284e+00  -7.85655e-01 0.00000e+00 0.00000e+00 6.55233e+01 344.955 3.16349e+01 344.955 0.8119 
1 1 1 19 10 40 o 12 1.01944e+02 8.49252e+00 1.28086e+02 126.236 -1.75126e+01 2.38966e+01  0.00000e+00 0.00000e+00 1.21322e+02 126.236 6.76417e+00 306.236 0.9830 
1 1 1 19 10 41 o 19 4.32301e+01 1.21748e+01 3.53181e+01 184.007 -3.14137e+00 -2.20060e-01 0.00000e+00 0.00000e+00 5.26477e+01 184.007 1.73295e+01 184.007 0.8204 
1 1 1 19 10 42 o 4  5.20979e+01 1.28139e+01 4.18059e+01 49.097  2.77149e+00  3.19921e+00  0.00000e+00 0.00000e+00 7.04538e+01 49.097  2.86479e+01 49.097  0.8719 
1 1 1 19 10 43 o 4  4.22500e+01 1.27902e+01 4.89242e+01 201.477 -4.05121e+00 -1.59393e+00 0.00000e+00 0.00000e+00 4.21933e+01 201.477 6.73084e+00 21.477  0.8759 
1 1 1 19 11 0  o 12 2.23851e+01 1.55201e+01 1.00166e+02 0.000   1.11331e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.19537e+01 180.000 1.52119e+02 180.000 0.8052 
1 1 1 19 11 1  o 4  1.31981e+02 6.22752e+00 2.11550e+02 88.682  7.15052e-01  3.10823e+01  0.00000e+00 0.00000e+00 1.35722e+02 88.682  7.58275e+01 268.682 0.9838 
1 1 1 19 11 2  o 5  1.15452e+02 6.79309e+00 2.00768e+02 38.483  1.99695e+01  1.58750e+01  0.00000e+00 0.00000e+00 1.01866e+02 38.483  9.89020e+01 218.483 0.9802 
1 1 1 19 11 3  o 18 8.26995e+01 9.83543e+00 1.10771e+02 170.318 -9.23893e+00 1.57621e+00  0.00000e+00 0.00000e+00 9.81882e+01 170.318 1.25830e+01 350.318 0.9450 
1 1 1 19 11 4  o 11 5.63076e+01 1.20492e+01 1.20389e+02 37.064  5.18228e+00  3.91418e+00  0.00000e+00 0.00000e+00 1.79848e+01 37.064  1.02404e+02 217.064 0.9194 
1 1 1 19 11 5  o 2  5.27618e+01 1.17816e+01 1.16682e+01 329.489 5.11283e-01  -3.01306e-01 0.00000e+00 0.00000e+00 2.84223e+01 329.489 1.67542e+01 329.489 0.2844 
1 1 1 19 11 6  o 16 7.64415e+01 9.70075e+00 1.13327e+02 137.032 -6.46678e+00 6.02369e+00  0.00000e+00 0.00000e+00 7.88917e+01 137.032 3.44357e+01 317.032 0.9416 
1 1 1 19 11 7  o 9  5.85471e+01 1.09622e+01 5.67668e+01 103.390 -7.55984e-01 3.17580e+00  0.00000e+00 0.00000e+00 7.25879e+01 103.390 1.58211e+01 103.390 0.8278 
1 1 1 19 11 8  o 2  1.43126e+02 6.19662e+00 1.77883e+02 212.800 -2.45736e+01 -1.58366e+01 0.00000e+00 0.00000e+00 1.97295e+02 212.800 1.94122e+01 212.800 0.9827 
1 1 1 19 11 9  o 12 5.58758e+01 1.13558e+01 4.87867e+01 284.014 6.63108e-01  -2.65677e+00 0.00000e+00 0.00000e+00 6.86606e+01 284.014 1.98739e+01 284.014 0.7886 
1 1 1 19 11 10 o 18 1.64485e+02 5.21826e+00 1.98806e+02 359.917 3.78303e+01  -5.46862e-02 0.00000e+00 0.00000e+00 2.33420e+02 359.917 3.46140e+01 359.917 0.9867 
1 1 1 19 11 11 o 18 2.26098e+02 4.47733e+00 3.22117e+02 251.445 -2.59990e+01 -7.74567e+01 0.00000e+00 0.00000e+00 2.75786e+02 251.445 4.63308e+01 71.445  0.9939 
1 1 1 19 11 12 o 12 4.23605e+01 1.12476e+01 6.33454e+01 13.939  2.50767e+00  6.22381e-01  0.00000e+00 0.00000e+00 2.37857e+01 13.939  3.95597e+01 193.939 0.7738 
1 1 1 19 11 13 o 6  1.16797e+02 6.76989e+00 1.54202e+02 235.119 -1.09866e+01 -1.57603e+01 0.00000e+00 0.00000e+00 1.47743e+02 235.119 6.45885e+00 55.119  0.9736 
1 1 1 19 11 14 o 8  7.44298e+01 9.82872e+00 9.86939e+01 207.396 -7.57434e+00 -3.92550e+00 0.00000e+00 0.00000e+00 8.67495e+01 207.396 1.19444e+01 27.396  0.9394 
1 1 1 19 11 15 f 0  9.66699e+01 8.23975e+00 5.30773e+01 160.757 -5.84597e+00 2.04075e+00  0.00000e+00 0.00000e+00 1.81285e+02 160.757 1.28208e+02 160.757 0.9152 
1 1 1 19 11 16 o 8  9.70264e+01 8.48983e+00 1.20919e+02 264.503 -1.43681e+00 -1.49297e+01 0.00000e+00 0.00000e+00 1.27038e+02 264.503 6.11862e+00 264.503 0.9661 
1 1 1 19 11 17 o 7  5.10428e+01 1.20805e+01 1.04364e+02 60.616  2.95082e+00  5.24027e+00  0.00000e+00 0.00000e+00 1.86809e+01 60.616  8.56836e+01 240.616 0.9126 
1 1 1 19 11 20 o 12 1.35408e+02 6.10339e+00 1.34111e+02 29.052  2.41791e+01  1.34313e+01  0.00000e+00 0.00000e+00 2.15374e+02 29.052  8.12630e+01 29.052  0.9818 
1 1 1 19 11 21 o 7  4.36746e+01 1.17131e+01 9.42672e+00 191.372 -5.08197e-01 -1.02210e-01 0.00000e+00 0.00000e+00 1.93250e+01 191.372 9.89825e+00 191.372 0.2509 
1 1 1 19 11 22 o 1  4.68518e+01 1.13720e+01 7.39892e+01 348.711 4.41787e+00  -8.81928e-01 0.00000e+00 0.00000e+00 3.40680e+01 348.711 3.99212e+01 168.711 0.8805 
1 1 1 19 11 23 o 13 1.03080e+02 8.28436e+00 9.11741e+01 249.003 -4.66345e+00 -1.21508e+01 0.00000e+00 0.00000e+00 1.67745e+02 249.003 7.65712e+01 249.003 0.9608 
1 1 1 19 11 24 o 15 4.85833e+01 1.21116e+01 7.14536e+01 229.301 -2.72245e+00 -3.16519e+00 0.00000e+00 0.00000e+00 3.88158e+01 229.301 3.26377e+01 49.300  0.8699 
1 1 1 19 11 25 o 3  6.28076e+01 1.16340e+01 6.23231e+01 188.345 -4.98052e+00 -7.30538e-01 0.00000e+00 0.00000e+00 8.38929e+01 188.345 2.15697e+01 188.345 0.8942 
1 1 1 19 11 26 o 15 9.04793e+01 8.20603e+00 1.18370e+02 66.805  6.33163e+00  1.47764e+01  0.00000e+00 0.00000e+00 1.09248e+02 66.805  9.12121e+00 246.805 0.9684 
1 1 1 19 11 27 o 16 4.07729e+01 1.13223e+01 4.97064e+01 322.186 2.37290e+00  -1.84151e+00 0.00000e+00 0.00000e+00 3.59207e+01 322.186 1.37858e+01 142.186 0.8103 
1 1 1 19 11 28 o 7  9.44342e+01 8.32031e+00 1.31668e+02 212.824 -1.72688e+01 -1.11392e+01 0.00000e+00 0.00000e+00 1.06499e+02 212.824 2.51695e+01 32.824  0.9754 
1 1 1 19 11 29 o 11 3.24173e+01 1.03059e+01 3.60622e+01 109.444 -5.97303e-01 1.69198e+00  0.00000e+00 0.00000e+00 1.92034e+01 109.444 1.68589e+01 289.444 0.6609 
1 1 1 19 11 30 o 19 1.75548e+02 6.59169e+00 1.98996e+02 174.581 -5.93397e+01 5.62949e+00  0.00000e+00 0.00000e+00 2.48860e+02 174.581 4.98640e+01 174.581 0.9916 
1 1 1 19 11 31 o 11 3.33581e+01 1.07663e+01 4.60438e+01 280.243 4.51500e-01  -2.49861e+00 0.00000e+00 0.00000e+00 1.97980e+01 280.243 2.62459e+01 100.243 0.7692 
1 1 1 19 11 32 o 19 4.10920e+01 1.19938e+01 4.98115e+01 75.346  7.98057e-01  3.05206e+00  0.00000e+00 0.00000e+00 3.65036e+01 75.346  1.33078e+01 255.346 0.8208 
1 1 1 19 11 33 o 2  6.90319e+01 1.17735e+01 1.06619e+02 36.229  9.23709e+00  6.76773e+00  0.00000e+00 0.00000e+00 6.16706e+01 36.229  4.49482e+01 216.229 0.9553 
1 1 1 19 11 34 f 0  1.04052e+02 8.45428e+00 1.05866e+02 330.005 1.85433e+01  -1.07040e+01 0.00000e+00 0.00000e+00 1.52646e+02 330.005 4.67803e+01 330.005 0.9764 
1 1 1 19 11 35 o 4  9.50152e+01 1.08469e+01 9.00527e+01 71.631  5.01136e+00  1.50924e+01  0.00000e+00 0.00000e+00 1.43297e+02 71.631  5.32448e+01 71.631  0.9680 
1 1 1 19 11 36 o 3  6.82149e+01 1.25724e+01 9.38106e+01 323.827 9.06346e+00  -6.62687e+00 0.00000e+00 0.00000e+00 7.08512e+01 323.827 2.29594e+01 143.827 0.9544 
1 1 1 19 11 37 o 13 4.76765e+01 1.22756e+01 7.27384e+01 221.381 -4.88893e+00 -4.30730e+00 0.00000e+00 0.00000e+00 3.78159e+01 221.381 3.49226e+01 41.381  0.9197 
1 1 1 19 11 38 o 3  8.43910e+01 1.11500e+01 1.00784e+02 11.884  1.65558e+01  3.48412e+00  0.00000e+00 0.00000e+00 1.04939e+02 11.884  4.15576e+00 11.884  0.9700 
1 1 1 19 11 39 o 11 3.68872e+01 1.18627e+01 5.09624e+01 34.701  3.15435e+00  2.18423e+00  0.00000e+00 0.00000e+00 2.82159e+01 34.701  2.27464e+01 214.701 0.8569 
1 1 1 19 11 40 f 0  2.49846e+01 8.58181e+00 4.09125e+01 325.679 2.11527e+00  -1.44409e+00 0.00000e+00 0.00000e+00 7.20515e+00 325.679 3.37074e+01 145.679 0.7715 
1 1 1 19 11 41 o 10 3.30019e+01 1.03926e+01 4.07793e+01 359.543 3.33452e+00  -2.65903e-02 0.00000e+00 0.00000e+00 2.75226e+01 359.543 1.32568e+01 179.543 0.8320 
1 1 1 19 12 0  o 14 1.50197e+02 9.33408e+00 1.90317e+02 0.000   1.54979e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.12732e+02 0.000   2.24154e+01 0.000   1.0000 
1 1 1 19 12 1  o 4  8.70582e+01 8.64937e+00 9.49979e+01 111.531 -3.14725e+00 7.97729e+00  0.00000e+00 0.00000e+00 1.24534e+02 111.531 2.95366e+01 111.531 0.9397 
1 1 1 19 12 2  o 8  7.14841e+01 1.05447e+01 1.08521e+02 359.363 7.65052e+00  -8.51029e-02 0.00000e+00 0.00000e+00 7.02583e+01 359.363 3.82626e+01 179.363 0.9322 
1 1 1 19 12 3  o 13 4.54212e+01 1.19457e+01 4.75427e+01 169.613 -2.00880e+00 3.68217e-01  0.00000e+00 0.00000e+00 3.83045e+01 169.613 9.23828e+00 349.613 0.7046 
1 1 1 19 12 4  o 15 1.83413e+02 5.07429e+00 2.13125e+02 195.806 -4.16873e+01 -1.18013e+01 0.00000e+00 0.00000e+00 2.73008e+02 195.806 5.98832e+01 195.806 0.9884 
1 1 1 19 12 5  o 12 9.43626e+01 8.06981e+00 1.23888e+02 342.457 1.16451e+01  -3.68123e+00 0.00000e+00 0.00000e+00 1.18470e+02 342.457 5.41857e+00 162.457 0.9581 
1 1 1 19 12 6  o 6  6.23461e+01 1.13780e+01 7.44662e+01 169.613 -5.08773e+00 9.32585e-01  0.00000e+00 0.00000e+00 7.54115e+01 169.613 9.45307e-01 169.613 0.8972 
1 1 1 19 12 7  f 0  1.24305e+02 7.11459e+00 2.16686e+02 305.723 1.97948e+01  -2.75244e+01 0.00000e+00 0.00000e+00 1.11231e+02 305.723 1.05455e+02 125.723 0.9851 
1 1 1 19 12 8  f 0  8.44894e+01 9.03899e+00 1.43222e+02 9.332   1.42322e+01  2.33889e+00  0.00000e+00 0.00000e+00 7.48924e+01 9.332   6.83299e+01 189.332 0.9647 
1 1 1 19 12 9  o 8  8.96542e+01 7.89096e+00 8.07665e+01 112.047 -3.32972e+00 8.22211e+00  0.00000e+00 0.00000e+00 1.45031e+02 112.047 6.42647e+01 112.047 0.9418 
1 1 1 19 12 10 o 12 6.27177e+01 1.08471e+01 7.08799e+01 126.184 -2.93574e+00 4.01346e+00  0.00000e+00 0.00000e+00 7.87227e+01 126.184 7.84277e+00 126.184 0.8927 
1 1 1 19 12 11 o 3  8.88760e+01 8.06228e+00 1.03332e+02 183.533 -1.19043e+01 -7.34969e-01 0.00000e+00 0.00000e+00 1.23747e+02 183.533 2.04152e+01 183.533 0.9571 
1 1 1 19 12 12 o 4  5.73538e+01 1.08923e+01 5.16437e+01 102.522 -7.59382e-01 3.41914e+00  0.00000e+00 0.00000e+00 7.70258e+01 102.522 2.53820e+01 102.522 0.8412 
1 1 1 19 12 15 o 16 1.28887e+02 7.09947e+00 1.41851e+02 349.861 1.88287e+01  -3.36718e+00 0.00000e+00 0.00000e+00 1.91595e+02 349.861 4.97441e+01 349.861 0.9735 
1 1 1 19 12 16 o 13 6.26474e+01 1.16600e+01 6.43869e+01 88.611  1.24800e-01  5.14818e+00  0.00000e+00 0.00000e+00 8.47108e+01 88.611  2.03239e+01 88.611  0.8967 
1 1 1 19 12 17 o 18 8.59519e+01 9.77265e+00 8.59212e+01 273.360 5.89183e-01  -1.00345e+01 0.00000e+00 0.00000e+00 1.30224e+02 273.360 4.43024e+01 273.360 0.9489 
1 1 1 19 12 18 o 1  5.82430e+01 1.22698e+01 8.82994e+01 107.676 -1.97125e+00 6.18578e+00  0.00000e+00 0.00000e+00 5.33999e+01 107.676 3.48994e+01 287.676 0.9194 
1 1 1 19 12 19 o 14 2.83309e+01 9.58107e+00 9.15099e+00 84.912  3.19393e-02  3.58697e-01  0.00000e+00 0.00000e+00 4.11258e+00 84.912  5.03841e+00 264.912 0.1772 
1 1 1 19 12 20 o 12 1.00918e+02 8.47502e+00 1.00607e+02 218.751 -1.09270e+01 -8.77032e+00 0.00000e+00 0.00000e+00 1.55887e+02 218.751 5.52807e+01 218.751 0.9636 
1 1 1 19 12 21 o 1  3.46036e+01 1.05758e+01 4.23312e+01 15.811  1.91008e+00  5.40887e-01  0.00000e+00 0.00000e+00 2.10184e+01 15.811  2.13128e+01 195.811 0.6953 
1 1 1 19 12 22 f 0  6.77232e+01 1.13825e+01 5.26648e+01 260.265 -7.85909e-01 -4.58071e+00 0.00000e+00 0.00000e+00 1.04759e+02 260.265 5.20943e+01 260.265 0.8845 
1 1 1 19 12 23 o 8  4.28436e+01 1.15365e+01 4.79866e+01 105.209 -7.20754e-01 2.65115e+00  0.00000e+00 0.00000e+00 4.07254e+01 105.209 7.26119e+00 285.209 0.7894 
1 1 1 19 12 24 o 13 1.29070e+02 6.90443e+00 1.96594e+02 21.571  4.17016e+01  1.64862e+01  0.00000e+00 0.00000e+00 1.37472e+02 21.571  5.91214e+01 201.571 0.9888 
1 1 1 19 12 25 o 19 1.21781e+02 6.62998e+00 1.48528e+02 250.656 -1.05664e+01 -3.00995e+01 0.00000e+00 0.00000e+00 1.64547e+02 250.656 1.60198e+01 250.656 0.9842 
1 1 1 19 12 26 o 15 6.25845e+01 1.10033e+01 9.08660e+01 40.418  6.50474e+00  5.53948e+00  0.00000e+00 0.00000e+00 6.23846e+01 40.418  2.84815e+01 220.418 0.9395 
1 1 1 19 12 27 o 2  1.63329e+02 5.48305e+00 1.65640e+02 186.917 -4.78248e+01 -5.80208e+00 0.00000e+00 0.00000e+00 2.54649e+02 186.917 8.90092e+01 186.917 0.9896 
1 1 1 19 12 28 o 7  7.74190e+01 1.02790e+01 1.34039e+02 203.695 -1.62148e+01 -7.11627e+00 0.00000e+00 0.00000e+00 6.10472e+01 203.695 7.29921e+01 23.695  0.9713 
1 1 1 19 12 29 o 15 1.18101e+02 7.49658e+00 1.70553e+02 153.914 -3.42682e+01 1.67776e+01  0.00000e+00 0.00000e+00 1.31044e+02 153.914 3.95093e+01 333.914 0.9868 
1 1 1 19 12 30 o 13 3.60105e+01 1.10150e+01 3.50674e+01 85.638  1.54956e-01  2.03125e+00  0.00000e+00 0.00000e+00 3.03513e+01 85.638  4.71612e+00 265.638 0.7038 
1 1 1 19 12 31 o 13 9.68196e+01 8.70032e+00 1.05606e+02 95.876  -1.86450e+00 1.81179e+01  0.00000e+00 0.00000e+00 1.36713e+02 95.876  3.11073e+01 95.876  0.9721 
1 1 1 19 12 32 o 17 1.04362e+02 8.01072e+00 1.06230e+02 191.829 -2.15423e+01 -4.51169e+00 0.00000e+00 0.00000e+00 1.55560e+02 191.829 4.93307e+01 191.829 0.9770 
1 1 1 19 12 33 o 16 6.64463e+01 1.28386e+01 9.78939e+01 19.161  1.02849e+01  3.57372e+00  0.00000e+00 0.00000e+00 6.42187e+01 19.161  3.36752e+01 199.161 0.9529 
1 1 1 19 12 34 o 7  4.01891e+01 1.20325e+01 4.69482e+01 40.207  2.60942e+00  2.20567e+00  0.00000e+00 0.00000e+00 3.88903e+01 40.207  8.05792e+00 220.207 0.8366 
1 1 1 19 12 35 f 0  7.20225e+01 1.20136e+01 8.62072e+01 335.519 1.08005e+01  -4.91771e+00 0.00000e+00 0.00000e+00 8.92124e+01 335.519 3.00513e+00 335.519 0.9569 
1 1 1 19 12 36 o 4  1.00807e+02 8.74217e+00 1.09477e+02 313.382 1.72138e+01  -1.82143e+01 0.00000e+00 0.00000e+00 1.41169e+02 313.382 3.16926e+01 313.382 0.9798 
1 1 1 19 12 37 o 3  1.28699e+02 7.65527e+00 1.24028e+02 2.514   4.14479e+01  1.81997e+00  0.00000e+00 0.00000e+00 1.97578e+02 2.514   7.35502e+01 2.514   0.9879 
1 1 1 19 12 38 o 10 5.48879e+01 1.26434e+01 8.21929e+01 42.014  6.69859e+00  6.03448e+00  0.00000e+00 0.00000e+00 4.82850e+01 42.014  3.39079e+01 222.014 0.9428 
1 1 1 19 12 39 o 12 3.62202e+01 1.11919e+01 5.55017e+01 316.077 3.41881e+00  -3.29267e+00 0.00000e+00 0.00000e+00 2.52497e+01 316.077 3.02520e+01 136.077 0.8872 
1 1 1 19 13 0  f 0  7.46256e+01 4.22339e+01 8.63525e+01 180.000 -1.70942e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.01869e+02 180.000 1.55170e+01 180.000 0.9366 
1 1 1 19 13 1  o 16 7.96697e+01 3.44560e+01 6.03224e+01 132.704 -1.42788e+00 1.54713e+00  0.00000e+00 0.00000e+00 9.29334e+01 132.704 3.26110e+01 132.704 0.7143 
1 1 1 19 13 7  o 10 9.48792e+01 2.60903e+01 1.36082e+02 314.981 5.09477e+00  -5.09822e+00 0.00000e+00 0.00000e+00 1.00476e+02 314.981 3.56059e+01 134.981 0.9278 
1 1 1 19 13 8  o 18 1.01965e+02 7.60653e+00 1.67195e+02 60.006  8.89585e+00  1.54115e+01  0.00000e+00 0.00000e+00 9.88330e+01 60.006  6.83622e+01 240.005 0.9715 
1 1 1 19 13 9  o 5  6.17580e+01 1.12179e+01 7.71023e+01 302.526 3.35242e+00  -5.25686e+00 0.00000e+00 0.00000e+00 7.46882e+01 302.526 2.41406e+00 122.527 0.9159 
1 1 1 19 13 10 o 18 6.85913e+01 1.12859e+01 6.40833e+01 303.854 3.18572e+00  -4.74914e+00 0.00000e+00 0.00000e+00 1.02873e+02 303.854 3.87898e+01 303.854 0.9078 
1 1 1 19 13 11 o 10 3.93078e+01 1.15176e+01 6.54842e+01 61.061  1.59913e+00  2.89213e+00  0.00000e+00 0.00000e+00 2.19423e+01 61.061  4.35419e+01 241.061 0.8302 
1 1 1 19 13 12 o 1  4.19777e+01 1.18896e+01 1.37777e+01 98.168  -1.06236e-01 7.40112e-01  0.00000e+00 0.00000e+00 2.55375e+01 98.168  1.17598e+01 98.168  0.3499 
1 1 1 19 13 13 o 6  8.96987e+01 1.03474e+01 1.70184e+02 73.360  5.97756e+00  2.00007e+01  0.00000e+00 0.00000e+00 6.38056e+01 73.360  1.06378e+02 253.360 0.9757 
1 1 1 19 13 14 o 4  6.60026e+01 1.21877e+01 6.34930e+01 124.391 -2.99399e+00 4.37410e+00  0.00000e+00 0.00000e+00 9.51173e+01 124.391 3.16243e+01 124.391 0.8999 
1 1 1 19 13 15 f 0  8.65170e+01 9.92490e+00 1.06772e+02 33.931  1.01796e+01  6.84838e+00  0.00000e+00 0.00000e+00 1.14356e+02 33.931  7.58453e+00 33.931  0.9583 
1 1 1 19 13 16 o 10 1.81936e+02 5.14536e+00 2.01965e+02 161.808 -5.27445e+01 1.73335e+01  0.00000e+00 0.00000e+00 2.78228e+02 161.808 7.62628e+01 161.808 0.9910 
1 1 1 19 13 17 o 2  4.15192e+01 1.11836e+01 2.95042e+01 15.157  1.57103e+00  4.25580e-01  0.00000e+00 0.00000e+00 3.96387e+01 15.157  1.01345e+01 15.157  0.6261 
1 1 1 19 13 18 o 14 8.21314e+01 9.69973e+00 1.03389e+02 108.637 -3.78751e+00 1.12302e+01  0.00000e+00 0.00000e+00 1.05308e+02 108.637 1.91850e+00 108.637 0.9568 
1 1 1 19 13 19 o 14 6.66824e+01 1.05272e+01 5.05944e+01 285.359 1.25127e+00  -4.55549e+00 0.00000e+00 0.00000e+00 1.06153e+02 285.359 5.55583e+01 285.359 0.8866 
1 1 1 19 13 20 o 8  1.05634e+02 7.16252e+00 1.14891e+02 330.755 1.65252e+01  -9.25267e+00 0.00000e+00 0.00000e+00 1.57231e+02 330.755 4.23398e+01 330.755 0.9732 
1 1 1 19 13 21 o 13 3.01104e+01 9.83282e+00 4.40682e+01 174.959 -2.09957e+00 1.85210e-01  0.00000e+00 0.00000e+00 1.27929e+01 174.959 3.12753e+01 354.959 0.7147 
1 1 1 19 13 22 o 2  5.44794e+01 1.17190e+01 4.24576e+00 134.948 -2.40262e-01 2.40699e-01  0.00000e+00 0.00000e+00 1.98402e+01 134.948 1.55945e+01 134.948 0.1676 
1 1 1 19 13 23 o 12 3.67270e+01 1.09441e+01 5.29509e+01 186.353 -2.91826e+00 -3.24935e-01 0.00000e+00 0.00000e+00 2.48883e+01 186.353 2.80626e+01 6.353   0.8052 
1 1 1 19 13 24 o 17 3.15934e+01 1.01180e+01 9.23036e+00 149.862 -3.86265e-01 2.24248e-01  0.00000e+00 0.00000e+00 8.85649e+00 149.862 3.73875e-01 329.862 0.2179 
1 1 1 19 13 25 o 19 4.88420e+01 1.20618e+01 2.22482e+01 355.780 1.70519e+00  -1.25819e-01 0.00000e+00 0.00000e+00 6.01912e+01 355.780 3.79430e+01 355.780 0.6439 
1 1 1 19 13 26 o 11 3.93219e+01 1.19005e+01 3.79250e+01 317.221 1.72223e+00  -1.59360e+00 0.00000e+00 0.00000e+00 3.89260e+01 317.221 1.00103e+00 317.221 0.7472 
1 1 1 19 13 27 o 14 5.11668e+01 1.27846e+01 4.85670e+01 344.229 3.56424e+00  -1.00665e+00 0.00000e+00 0.00000e+00 6.50748e+01 344.229 1.65078e+01 344.229 0.8511 
1 1 1 19 13 28 o 14 9.81724e+01 1.06826e+01 1.18408e+02 313.615 1.32271e+01  -1.38823e+01 0.00000e+00 0.00000e+00 1.30424e+02 313.615 1.20164e+01 313.615 0.9736 
1 1 1 19 13 29 o 12 7.63527e+01 1.10181e+01 3.42547e+01 247.910 -1.71732e+00 -4.23135e+00 0.00000e+00 0.00000e+00 1.40691e+02 247.910 1.06436e+02 247.910 0.8823 
1 1 1 19 13 30 o 17 3.83512e+01 1.14278e+01 4.45204e+01 29.816  2.69682e+00  1.54551e+00  0.00000e+00 0.00000e+00 3.67143e+01 29.816  7.80610e+00 209.816 0.8177 
1 1 1 19 13 31 o 9  4.02511e+01 1.15507e+01 2.56462e+01 213.089 -1.62152e+00 -1.05661e+00 0.00000e+00 0.00000e+00 4.57854e+01 213.089 2.01391e+01 213.089 0.6869 
1 1 1 19 13 32 o 11 2.83221e+01 9.51295e+00 7.82814e+01 92.034  -1.74942e-01 4.92643e+00  0.00000e+00 0.00000e+00 1.32068e+01 272.034 9.14882e+01 272.034 0.8917 
1 1 1 19 13 33 o 7  7.94384e+01 1.00954e+01 7.23405e+01 107.365 -3.66883e+00 1.17323e+01  0.00000e+00 0.00000e+00 1.23284e+02 107.365 5.09438e+01 107.365 0.9584 
1 1 1 19 13 34 o 6  3.66375e+01 1.09535e+01 5.24581e+01 280.593 7.71812e-01  -4.12691e+00 0.00000e+00 0.00000e+00 2.92749e+01 280.593 2.31831e+01 100.593 0.8707 
1 1 1 19 13 35 o 12 3.44726e+01 1.06698e+01 1.39575e+01 21.098  1.02576e+00  3.95771e-01  0.00000e+00 0.00000e+00 2.83560e+01 21.098  1.43985e+01 21.098  0.4805 
1 1 1 19 13 36 o 14 6.99404e+01 1.11570e+01 4.61278e+01 52.776  4.24028e+00  5.58148e+00  0.00000e+00 0.00000e+00 1.18738e+02 52.776  7.26097e+01 52.776  0.9256 
1 1 1 19 13 37 o 6  3.53353e+01 1.08191e+01 2.84217e+01 253.604 -6.87036e-01 -2.33501e+00 0.00000e+00 0.00000e+00 3.95384e+01 253.604 1.11167e+01 253.604 0.7576 
1 1 1 19 14 0  o 3  9.44425e+01 1.12066e+01 1.18742e+02 180.000 -8.39837e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.36571e+02 180.000 1.78286e+01 180.000 1.0000 
1 1 1 19 14 1  o 16 3.34180e+01 1.04567e+01 3.39446e+01 263.746 -1.69123e-01 -1.54316e+00 0.00000e+00 0.00000e+00 2.10550e+01 263.746 1.28896e+01 83.746  0.6088 
1 1 1 19 14 2  o 4  4.97108e+01 1.11880e+01 6.05018e+01 325.820 3.30628e+00  -2.24527e+00 0.00000e+00 0.00000e+00 5.55067e+01 325.820 4.99502e+00 145.820 0.8634 
1 1 1 19 14 3  o 1  5.28714e+01 1.20564e+01 9.45638e+01 7.979   6.34354e+00  8.89134e-01  0.00000e+00 0.00000e+00 3.66295e+01 7.979   5.79344e+01 187.979 0.9182 
1 1 1 19 14 4  o 4  8.52043e+01 9.74973e+00 8.74250e+01 63.818  4.60587e+00  9.36772e+00  0.00000e+00 0.00000e+00 1.31436e+02 63.818  4.40108e+01 63.818  0.9508 
1 1 1 19 14 5  o 5  5.46847e+01 1.28585e+01 9.44234e+01 346.490 6.19984e+00  -1.48965e+00 0.00000e+00 0.00000e+00 4.11171e+01 346.490 5.33063e+01 166.490 0.9178 
1 1 1 19 14 6  o 18 1.35534e+02 6.65051e+00 1.50790e+02 320.239 2.33649e+01  -1.94402e+01 0.00000e+00 0.00000e+00 2.08973e+02 320.239 5.81828e+01 320.239 0.9834 
1 1 1 19 14 7  o 7  3.95623e+01 1.16242e+01 1.74601e+01 170.120 -8.53820e-01 1.48703e-01  0.00000e+00 0.00000e+00 2.49274e+01 170.120 7.46733e+00 170.120 0.3972 
1 1 1 19 14 8  o 14 1.11993e+02 7.95600e+00 1.82129e+02 12.624  2.83339e+01  6.34590e+00  0.00000e+00 0.00000e+00 1.14551e+02 12.624  6.75783e+01 192.624 0.9826 
1 1 1 19 14 9  o 9  6.16424e+01 1.15600e+01 1.14244e+02 227.645 -5.93161e+00 -6.50613e+00 0.00000e+00 0.00000e+00 4.20811e+01 227.645 7.21628e+01 47.645  0.9414 
1 1 1 19 14 10 o 13 6.97904e+01 1.15361e+01 8.78614e+01 156.348 -7.41935e+00 3.24946e+00  0.00000e+00 0.00000e+00 8.79857e+01 156.348 1.24255e-01 156.348 0.9361 
1 1 1 19 14 11 o 15 3.86552e+01 1.11519e+01 9.02523e+01 49.586  3.02260e+00  3.54979e+00  0.00000e+00 0.00000e+00 1.73927e+00 49.586  8.85131e+01 229.586 0.8849 
1 1 1 19 14 12 o 16 1.11434e+02 6.76605e+00 1.55692e+02 153.822 -2.41029e+01 1.18489e+01  0.00000e+00 0.00000e+00 1.38064e+02 153.822 1.76284e+01 333.822 0.9812 
1 1 1 19 14 13 o 4  5.18747e+01 1.10413e+01 5.99696e+01 122.159 -2.29244e+00 3.64616e+00  0.00000e+00 0.00000e+00 6.17583e+01 122.159 1.78867e+00 122.159 0.8744 
1 1 1 19 14 14 o 5  7.36249e+01 9.82915e+00 1.08918e+02 343.141 1.10889e+01  -3.36034e+00 0.00000e+00 0.00000e+00 7.97229e+01 343.141 2.91954e+01 163.141 0.9558 
1 1 1 19 14 15 o 6  5.34214e+01 1.15861e+01 3.31670e+01 137.285 -1.74398e+00 1.61012e+00  0.00000e+00 0.00000e+00 7.41746e+01 137.285 4.10076e+01 137.285 0.7505 
1 1 1 19 14 16 o 8  3.03585e+01 9.85557e+00 5.05514e+01 12.538  2.39669e+00  5.33002e-01  0.00000e+00 0.00000e+00 1.11403e+01 12.538  3.94112e+01 192.538 0.7600 
1 1 1 19 14 17 o 8  3.86577e+01 1.12597e+01 3.99771e+01 48.010  1.54658e+00  1.71825e+00  0.00000e+00 0.00000e+00 3.66962e+01 48.010  3.28087e+00 228.010 0.7429 
1 1 1 19 14 18 o 7  5.85443e+01 1.22104e+01 7.65608e+01 124.617 -3.66759e+00 5.31305e+00  0.00000e+00 0.00000e+00 6.68536e+01 124.617 9.70717e+00 304.617 0.9189 
1 1 1 19 14 19 o 2  3.76768e+01 1.12148e+01 4.72037e+01 57.077  1.44813e+00  2.23647e+00  0.00000e+00 0.00000e+00 3.11910e+01 57.077  1.60127e+01 237.077 0.7818 
1 1 1 19 14 20 o 8  1.41812e+02 6.63726e+00 1.49639e+02 134.005 -2.58053e+01 2.67175e+01  0.00000e+00 0.00000e+00 2.22065e+02 134.005 7.24255e+01 134.005 0.9864 
1 1 1 19 14 21 o 12 5.65893e+01 1.26347e+01 6.86717e+01 358.753 5.96969e+00  -1.29922e-01 0.00000e+00 0.00000e+00 6.82050e+01 358.753 4.66676e-01 178.753 0.9119 
1 1 1 19 14 22 o 10 4.51867e+01 1.19168e+01 7.71549e+01 202.647 -5.09371e+00 -2.12517e+00 0.00000e+00 0.00000e+00 3.10143e+01 202.647 4.61405e+01 22.647  0.9042 
1 1 1 19 14 23 o 10 8.24301e+01 9.32108e+00 1.26610e+02 42.910  1.35326e+01  1.25798e+01  0.00000e+00 0.00000e+00 8.52230e+01 42.910  4.13874e+01 222.910 0.9726 
1 1 1 19 14 24 o 1  8.49213e+01 8.85154e+00 7.84573e+01 306.947 7.24851e+00  -9.63760e+00 0.00000e+00 0.00000e+00 1.35987e+02 306.947 5.75295e+01 306.947 0.9576 
1 1 1 19 14 25 o 18 4.15399e+01 1.13781e+01 5.28275e+01 194.290 -3.40340e+00 -8.66878e-01 0.00000e+00 0.00000e+00 3.91828e+01 194.290 1.36447e+01 14.290  0.8417 
1 1 1 19 14 26 o 14 8.25578e+01 9.35644e+00 7.76118e+01 308.928 7.64673e+00  -9.46727e+00 0.00000e+00 0.00000e+00 1.30052e+02 308.928 5.24405e+01 308.928 0.9580 
1 1 1 19 14 27 o 18 1.22348e+02 7.12506e+00 1.06759e+02 320.363 2.27108e+01  -1.88125e+01 0.00000e+00 0.00000e+00 2.08272e+02 320.363 1.01513e+02 320.363 0.9829 
1 1 1 19 14 28 o 3  5.56213e+01 1.21218e+01 6.72504e+01 355.297 6.79075e+00  -5.58687e-01 0.00000e+00 0.00000e+00 6.69782e+01 355.297 2.72243e-01 175.297 0.9234 
1 1 1 19 14 29 o 11 8.18149e+01 9.69542e+00 6.98488e+01 321.658 9.92696e+00  -7.85165e+00 0.00000e+00 0.00000e+00 1.34840e+02 321.658 6.49910e+01 321.658 0.9596 
1 1 1 19 14 30 o 19 4.06954e+01 1.00608e+01 2.37182e+01 121.938 -1.09809e+00 1.76151e+00  0.00000e+00 0.00000e+00 5.13999e+01 121.938 2.76817e+01 121.938 0.7098 
1 1 1 19 14 31 o 14 8.16509e+01 1.01551e+01 1.26149e+02 227.832 -1.47066e+01 -1.62371e+01 0.00000e+00 0.00000e+00 8.07295e+01 227.832 4.54193e+01 47.832  0.9769 
1 1 1 19 14 32 o 9  3.27557e+01 1.04487e+01 7.65424e+00 283.265 1.29325e-01  -5.48561e-01 0.00000e+00 0.00000e+00 1.53207e+01 283.265 7.66649e+00 283.265 0.2712 
1 1 1 19 14 33 o 14 4.16482e+01 1.19727e+01 2.56199e+01 355.077 2.23155e+00  -1.92222e-01 0.00000e+00 0.00000e+00 5.31730e+01 355.077 2.75531e+01 355.077 0.7335 
1 1 1 19 14 34 o 7  4.08533e+01 1.20295e+01 4.13614e+01 121.595 -1.81833e+00 2.95626e+00  0.00000e+00 0.00000e+00 4.68507e+01 121.595 5.48937e+00 121.595 0.8396 
1 1 1 19 14 35 o 17 4.01949e+01 1.40325e+01 2.24167e+01 85.262  1.44407e-01  1.74230e+00  0.00000e+00 0.00000e+00 4.47630e+01 85.262  2.23463e+01 85.262  0.6518 
1 1 1 19 15 0  o 9  5.70849e+01 2.34384e+01 7.67113e+01 0.000   2.35990e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.55090e+01 0.000   1.20227e+00 180.000 0.9823 
1 1 1 19 15 1  o 1  1.36478e+02 7.08433e+00 1.67661e+02 68.221  1.36219e+01  3.40936e+01  0.00000e+00 0.00000e+00 1.97719e+02 68.221  3.00579e+01 68.221  0.9863 
1 1 1 19 15 2  o 3  1.42605e+02 7.92528e+00 1.76877e+02 71.475  1.25063e+01  3.73233e+01  0.00000e+00 0.00000e+00 2.05215e+02 71.475  2.83374e+01 71.475  0.9872 
1 1 1 19 15 3  o 8  6.12921e+01 1.26729e+01 7.47985e+01 49.824  3.82048e+00  4.52471e+00  0.00000e+00 0.00000e+00 7.67364e+01 49.824  1.93795e+00 49.824  0.9111 
1 1 1 19 15 4  o 13 3.71281e+01 1.06102e+01 4.47941e+01 191.413 -2.29624e+00 -4.63548e-01 0.00000e+00 0.00000e+00 3.04138e+01 191.413 1.43803e+01 11.413  0.7467 
1 1 1 19 15 5  o 18 1.12088e+02 6.81420e+00 1.10090e+02 299.233 9.69636e+00  -1.73259e+01 0.00000e+00 0.00000e+00 1.86095e+02 299.233 7.60055e+01 299.233 0.9745 
1 1 1 19 15 6  o 5  3.99863e+01 1.13754e+01 6.57307e+01 108.975 -1.16197e+00 3.37945e+00  0.00000e+00 0.00000e+00 2.58319e+01 108.975 3.98988e+01 288.975 0.8449 
1 1 1 19 15 7  o 19 1.01220e+02 7.37427e+00 1.22045e+02 89.164  3.21417e-01  2.20235e+01  0.00000e+00 0.00000e+00 1.45842e+02 89.164  2.37976e+01 89.164  0.9770 
1 1 1 19 15 8  o 15 6.56357e+01 1.02748e+01 1.46023e+02 351.171 1.49875e+01  -2.32809e+00 0.00000e+00 0.00000e+00 2.56954e+01 351.171 1.20328e+02 171.170 0.9665 
1 1 1 19 15 9  o 9  5.75550e+01 1.10682e+01 7.37911e+01 161.696 -6.13941e+00 2.03093e+00  0.00000e+00 0.00000e+00 6.92962e+01 161.696 4.49493e+00 341.696 0.9190 
1 1 1 19 15 10 o 12 1.20683e+02 6.44433e+00 1.30177e+02 42.282  2.11519e+01  1.92348e+01  0.00000e+00 0.00000e+00 1.90256e+02 42.282  6.00792e+01 42.282  0.9824 
1 1 1 19 15 11 o 13 3.98846e+01 1.10915e+01 8.57556e+01 110.591 -1.83901e+00 4.89499e+00  0.00000e+00 0.00000e+00 1.10105e+01 110.591 7.47451e+01 290.591 0.8984 
1 1 1 19 15 12 o 12 6.51365e+01 1.24716e+01 6.91104e+01 187.587 -6.36898e+00 -8.48310e-01 0.00000e+00 0.00000e+00 9.22888e+01 187.587 2.31784e+01 187.587 0.9185 
1 1 1 19 15 13 o 4  7.85594e+01 1.12062e+01 7.09074e+01 267.632 -3.47088e-01 -8.39365e+00 0.00000e+00 0.00000e+00 1.27765e+02 267.632 5.68580e+01 267.632 0.9384 
1 1 1 19 15 14 o 11 1.02324e+02 8.81870e+00 1.18288e+02 243.280 -8.92861e+00 -1.77373e+01 0.00000e+00 0.00000e+00 1.50110e+02 243.280 3.18223e+01 243.280 0.9745 
1 1 1 19 15 15 f 0  6.02133e+01 1.27248e+01 5.73574e+01 234.530 -2.75989e+00 -3.87357e+00 0.00000e+00 0.00000e+00 8.62893e+01 234.530 2.89319e+01 234.530 0.8874 
1 1 1 19 15 16 o 12 1.15390e+02 8.21169e+00 1.37979e+02 354.216 3.01794e+01  -3.05718e+00 0.00000e+00 0.00000e+00 1.66662e+02 354.216 2.86824e+01 354.216 0.9834 
1 1 1 19 15 17 o 11 1.02625e+02 7.81348e+00 1.57235e+02 106.610 -8.87610e+00 2.97557e+01  0.00000e+00 0.00000e+00 1.13427e+02 106.610 4.38082e+01 286.610 0.9838 
1 1 1 19 15 18 o 15 3.77398e+01 1.12859e+01 3.84518e+01 273.247 1.33983e-01  -2.36147e+00 0.00000e+00 0.00000e+00 3.72671e+01 273.247 1.18470e+00 93.247  0.7495 
1 1 1 19 15 19 o 5  4.23820e+01 1.16104e+01 4.71177e+01 195.325 -3.07095e+00 -8.41581e-01 0.00000e+00 0.00000e+00 4.60730e+01 195.325 1.04471e+00 15.325  0.8227 
1 1 1 19 15 20 o 1  3.76742e+01 1.11731e+01 1.08356e+01 253.226 -1.92561e-01 -6.38826e-01 0.00000e+00 0.00000e+00 2.09609e+01 253.226 1.01253e+01 253.226 0.3163 
1 1 1 19 15 21 o 5  6.73582e+01 1.13149e+01 7.84086e+01 226.616 -5.84957e+00 -6.18930e+00 0.00000e+00 0.00000e+00 9.01050e+01 226.616 1.16964e+01 226.616 0.9393 
1 1 1 19 15 22 o 18 4.39152e+01 1.13644e+01 4.00317e+01 222.162 -2.25409e+00 -2.04119e+00 0.00000e+00 0.00000e+00 5.48794e+01 222.162 1.48477e+01 222.162 0.8130 
1 1 1 19 15 23 o 14 3.96722e+01 1.09137e+01 7.54003e+01 296.708 2.54127e+00  -5.05091e+00 0.00000e+00 0.00000e+00 2.00332e+01 296.708 5.53671e+01 116.708 0.9066 
1 1 1 19 15 24 o 3  4.15119e+01 1.15841e+01 4.53516e+01 125.998 -2.00180e+00 2.75548e+00  0.00000e+00 0.00000e+00 4.65453e+01 125.998 1.19369e+00 125.998 0.8360 
1 1 1 19 15 25 o 18 5.12562e+01 1.22242e+01 7.92838e+01 270.326 4.18023e-02  -7.35382e+00 0.00000e+00 0.00000e+00 4.65750e+01 270.326 3.27088e+01 90.326  0.9293 
1 1 1 19 15 26 o 7  4.49540e+01 1.18513e+01 5.66162e+01 274.125 3.57552e-01  -4.95789e+00 0.00000e+00 0.00000e+00 4.91891e+01 274.125 7.42712e+00 94.125  0.8927 
1 1 1 19 15 27 o 3  3.79409e+01 1.13099e+01 3.41364e+01 288.404 8.21865e-01  -2.47010e+00 0.00000e+00 0.00000e+00 4.32890e+01 288.404 9.15262e+00 288.404 0.7758 
1 1 1 19 15 28 o 18 4.21629e+01 1.15996e+01 3.63644e+01 279.470 5.33049e-01  -3.19557e+00 0.00000e+00 0.00000e+00 5.50585e+01 279.470 1.86941e+01 279.470 0.8263 
1 1 1 19 15 29 o 7  8.07070e+01 1.02097e+01 1.01194e+02 32.755  1.57207e+01  1.01137e+01  0.00000e+00 0.00000e+00 1.04352e+02 32.755  3.15778e+00 32.755  0.9729 
1 1 1 19 15 30 o 10 3.88145e+01 1.14518e+01 4.32954e+01 120.745 -1.87047e+00 3.14463e+00  0.00000e+00 0.00000e+00 4.27512e+01 120.745 5.44279e-01 300.745 0.8490 
1 1 1 19 15 31 o 16 3.10345e+01 1.01608e+01 2.21562e+01 296.278 7.05878e-01  -1.42962e+00 0.00000e+00 0.00000e+00 2.78425e+01 296.278 5.68623e+00 296.278 0.6186 
1 1 1 19 15 32 o 2  3.75441e+01 1.15304e+01 5.11527e+01 96.947  -5.37953e-01 4.41501e+00  0.00000e+00 0.00000e+00 3.45375e+01 96.947  1.66151e+01 276.947 0.8788 
1 1 1 19 16 0  o 9  2.40553e+01 1.60578e+01 8.75328e+01 0.000   1.55970e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.74960e+01 180.000 1.15029e+02 180.000 0.9154 
1 1 1 19 16 1  o 4  6.75945e+01 1.17434e+01 8.19362e+01 146.051 -6.68394e+00 4.49968e+00  0.00000e+00 0.00000e+00 9.05077e+01 146.051 8.57144e+00 146.051 0.9357 
1 1 1 19 16 2  o 6  7.91230e+01 1.02214e+01 1.03744e+02 347.412 1.24757e+01  -2.78582e+00 0.00000e+00 0.00000e+00 1.03333e+02 347.412 4.11165e-01 167.412 0.9601 
1 1 1 19 16 3  o 16 4.67056e+01 1.23743e+01 4.41221e+01 258.665 -5.71260e-01 -2.84973e+00 0.00000e+00 0.00000e+00 5.80732e+01 258.665 1.39511e+01 258.665 0.8028 
1 1 1 19 16 4  o 6  5.06033e+01 1.14338e+01 6.78498e+01 163.926 -4.85653e+00 1.39937e+00  0.00000e+00 0.00000e+00 5.54977e+01 163.926 1.23521e+01 343.926 0.8946 
1 1 1 19 16 5  o 13 1.08750e+02 8.67978e+00 1.19385e+02 25.163  1.94249e+01  9.12551e+00  0.00000e+00 0.00000e+00 1.69822e+02 25.163  5.04364e+01 25.163  0.9764 
1 1 1 19 16 6  o 12 4.94398e+01 1.27429e+01 8.42600e+01 236.894 -3.13950e+00 -4.81482e+00 0.00000e+00 0.00000e+00 3.79822e+01 236.894 4.62778e+01 56.894  0.9083 
1 1 1 19 16 7  o 9  4.74843e+01 1.26446e+01 5.27118e+01 52.224  2.37392e+00  3.06311e+00  0.00000e+00 0.00000e+00 5.82081e+01 52.224  5.49626e+00 52.224  0.8586 
1 1 1 19 16 8  o 3  5.32769e+01 1.31137e+01 9.38874e+01 29.920  6.53189e+00  3.75909e+00  0.00000e+00 0.00000e+00 4.09887e+01 29.920  5.28987e+01 209.920 0.9311 
1 1 1 19 16 9  o 11 4.23369e+01 1.21300e+01 7.68364e+01 248.911 -1.85328e+00 -4.80560e+00 0.00000e+00 0.00000e+00 2.63184e+01 248.911 5.05180e+01 68.911  0.8968 
1 1 1 19 16 10 o 9  4.55119e+01 1.24138e+01 4.15314e+01 30.665  2.52912e+00  1.49961e+00  0.00000e+00 0.00000e+00 5.79891e+01 30.665  1.64577e+01 30.665  0.8055 
1 1 1 19 16 11 o 2  4.26892e+01 1.14738e+01 8.02246e+01 169.287 -5.46353e+00 1.03367e+00  0.00000e+00 0.00000e+00 2.45562e+01 169.287 5.56683e+01 349.287 0.9049 
1 1 1 19 16 12 o 4  1.03897e+02 7.28769e+00 8.56892e+01 250.497 -5.80812e+00 -1.63986e+01 0.00000e+00 0.00000e+00 1.87622e+02 250.497 1.01932e+02 250.497 0.9708 
1 1 1 19 16 13 o 13 4.85465e+01 1.14442e+01 9.10572e+01 356.661 7.12126e+00  -4.15419e-01 0.00000e+00 0.00000e+00 3.07518e+01 356.661 6.03054e+01 176.661 0.9270 
1 1 1 19 16 14 o 15 8.99556e+01 8.94349e+00 1.13391e+02 138.882 -1.40329e+01 1.22493e+01  0.00000e+00 0.00000e+00 1.23190e+02 138.882 9.79919e+00 138.882 0.9728 
1 1 1 19 16 15 o 15 5.28388e+01 1.20325e+01 5.45821e+01 269.347 -5.15118e-02 -4.52014e+00 0.00000e+00 0.00000e+00 7.11046e+01 269.347 1.65225e+01 269.347 0.8809 
1 1 1 19 16 16 o 8  5.13593e+01 1.09079e+01 7.48757e+01 275.187 6.21543e-01  -6.84720e+00 0.00000e+00 0.00000e+00 5.31093e+01 275.187 2.17664e+01 95.187  0.9241 
1 1 1 19 16 17 o 14 5.38303e+01 1.22953e+01 8.96174e+01 163.364 -7.63360e+00 2.28095e+00  0.00000e+00 0.00000e+00 4.59063e+01 163.364 4.37111e+01 343.364 0.9350 
1 1 1 19 16 18 o 15 1.01813e+02 8.08955e+00 9.61414e+01 343.126 2.06289e+01  -6.25740e+00 0.00000e+00 0.00000e+00 1.71175e+02 343.126 7.50335e+01 343.126 0.9765 
1 1 1 19 16 19 o 4  5.74207e+01 1.11408e+01 1.07518e+02 164.965 -1.11271e+01 2.98875e+00  0.00000e+00 0.00000e+00 3.97728e+01 164.965 6.77456e+01 344.965 0.9556 
1 1 1 19 16 20 f 0  3.47686e+01 1.09011e+01 4.52604e+01 167.950 -3.02890e+00 6.46554e-01  0.00000e+00 0.00000e+00 3.08568e+01 167.950 1.44036e+01 347.950 0.8169 
1 1 1 19 16 21 o 19 3.35211e+01 1.06466e+01 3.60370e+01 323.574 2.05949e+00  -1.51984e+00 0.00000e+00 0.00000e+00 3.31308e+01 323.574 2.90621e+00 143.574 0.7713 
1 1 1 19 16 22 f 0  4.47009e+01 1.11202e+01 8.28758e+01 176.444 -7.56803e+00 4.70272e-01  0.00000e+00 0.00000e+00 2.83099e+01 176.444 5.45659e+01 356.444 0.9315 
1 1 1 19 16 23 o 18 3.79095e+01 1.12965e+01 5.34479e+01 275.602 3.99333e-01  -4.07116e+00 0.00000e+00 0.00000e+00 3.41369e+01 275.602 1.93111e+01 95.602  0.8669 
1 1 1 19 16 24 o 4  3.33024e+01 1.05772e+01 4.76148e+01 3.893   3.58452e+00  2.43947e-01  0.00000e+00 0.00000e+00 2.73000e+01 3.893   2.03149e+01 183.893 0.8458 
1 1 1 19 16 25 o 11 4.64774e+01 1.22154e+01 4.53183e+01 219.590 -3.28726e+00 -2.71850e+00 0.00000e+00 0.00000e+00 6.23692e+01 219.590 1.70509e+01 219.590 0.8730 
1 1 1 19 16 26 o 19 4.24594e+01 1.20026e+01 4.38485e+01 281.410 7.77302e-01  -3.85156e+00 0.00000e+00 0.00000e+00 5.29336e+01 281.410 9.08515e+00 281.410 0.8607 
1 1 1 19 16 27 o 11 8.12124e+01 1.04781e+01 6.16337e+01 224.267 -8.21683e+00 -8.00931e+00 0.00000e+00 0.00000e+00 1.43365e+02 224.267 8.17315e+01 224.267 0.9554 
1 1 1 19 16 28 o 9  3.15137e+01 1.02994e+01 1.35675e+01 146.692 -9.07872e-01 5.96536e-01  0.00000e+00 0.00000e+00 2.59835e+01 146.692 1.24160e+01 146.692 0.4761 
1 1 1 19 16 29 o 5  4.92263e+01 2.41745e+01 6.70324e+01 134.119 -2.24060e+00 2.31056e+00  0.00000e+00 0.00000e+00 3.97423e+01 134.119 2.72900e+01 314.119 0.8249 
1 1 1 19 17 0  o 15 1.91249e+01 1.39915e+01 1.92378e+01 180.000 -3.22944e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.88350e+00 0.000   2.21213e+01 0.000   0.3122 
1 1 1 19 17 1  o 15 3.33369e+01 1.09340e+01 4.88229e+01 152.523 -2.40901e+00 1.25284e+00  0.00000e+00 0.00000e+00 2.30003e+01 152.523 2.58227e+01 332.523 0.7865 
1 1 1 19 17 2  f 0  7.20922e+01 1.18555e+01 1.20562e+02 167.006 -1.34757e+01 3.10968e+00  0.00000e+00 0.00000e+00 6.96120e+01 167.006 5.09500e+01 347.006 0.9631 
1 1 1 19 17 3  o 13 1.16319e+02 7.66420e+00 1.54741e+02 183.150 -3.47667e+01 -1.91316e+00 0.00000e+00 0.00000e+00 1.59166e+02 183.150 4.42550e+00 183.150 0.9855 
1 1 1 19 17 4  o 3  4.31141e+01 1.10582e+01 3.38310e+01 176.827 -2.40875e+00 1.33538e-01  0.00000e+00 0.00000e+00 5.52918e+01 176.827 2.14608e+01 176.827 0.7551 
1 1 1 19 17 5  o 16 6.07809e+01 1.20410e+01 7.12198e+01 312.215 4.92590e+00  -5.42963e+00 0.00000e+00 0.00000e+00 8.33015e+01 312.215 1.20817e+01 312.215 0.9291 
1 1 1 19 17 6  o 16 1.01945e+02 7.96853e+00 1.23160e+02 54.522  1.51836e+01  2.13036e+01  0.00000e+00 0.00000e+00 1.50287e+02 54.522  2.71266e+01 54.522  0.9807 
1 1 1 19 17 7  o 8  1.00077e+02 8.26653e+00 9.14081e+01 344.736 1.80957e+01  -4.93805e+00 0.00000e+00 0.00000e+00 1.74763e+02 344.736 8.33552e+01 344.736 0.9730 
1 1 1 19 17 8  o 3  4.80237e+01 1.20966e+01 1.97257e+01 12.337  1.55395e+00  3.39865e-01  0.00000e+00 0.00000e+00 6.13195e+01 12.337  4.15938e+01 12.337  0.6178 
1 1 1 19 17 9  o 18 3.07530e+01 1.00708e+01 7.94152e+00 231.735 -2.82363e-01 -3.57983e-01 0.00000e+00 0.00000e+00 1.07157e+01 231.735 2.77422e+00 231.735 0.2222 
1 1 1 19 17 10 o 8  8.11900e+01 1.04706e+01 7.02963e+01 187.962 -1.10841e+01 -1.55020e+00 0.00000e+00 0.00000e+00 1.41017e+02 187.962 7.07208e+01 187.962 0.9542 
1 1 1 19 17 11 o 1  4.52354e+01 1.22905e+01 2.58300e+01 241.517 -9.80986e-01 -1.80803e+00 0.00000e+00 0.00000e+00 6.13124e+01 241.517 3.54824e+01 241.517 0.7069 
1 1 1 19 17 12 o 13 4.04764e+01 1.20040e+01 6.07169e+01 103.813 -1.04727e+00 4.25952e+00  0.00000e+00 0.00000e+00 3.59102e+01 103.813 2.48067e+01 283.813 0.8769 
1 1 1 19 17 13 o 17 4.08514e+01 1.18928e+01 2.43862e+01 339.629 1.74482e+00  -6.47888e-01 0.00000e+00 0.00000e+00 5.04482e+01 339.629 2.60620e+01 339.629 0.6736 
1 1 1 19 17 14 o 8  5.67670e+01 1.28496e+01 4.09583e+01 293.065 1.60007e+00  -3.75763e+00 0.00000e+00 0.00000e+00 9.26801e+01 293.065 5.17218e+01 293.065 0.8667 
1 1 1 19 17 15 o 9  6.53063e+01 1.21547e+01 8.03431e+01 22.009  9.42072e+00  3.80790e+00  0.00000e+00 0.00000e+00 8.78686e+01 22.009  7.52547e+00 22.009  0.9494 
1 1 1 19 17 16 o 18 4.71642e+01 1.07120e+01 6.91997e+01 175.320 -6.86788e+00 5.62239e-01  0.00000e+00 0.00000e+00 4.89068e+01 175.320 2.02929e+01 355.320 0.9243 
1 1 1 19 17 17 f 0  6.08324e+01 1.08158e+01 1.02169e+02 152.703 -1.15348e+01 5.95287e+00  0.00000e+00 0.00000e+00 5.59360e+01 152.703 4.62327e+01 332.703 0.9607 
1 1 1 19 17 18 o 1  4.00374e+01 1.10875e+01 2.35657e+01 245.560 -8.00465e-01 -1.76138e+00 0.00000e+00 0.00000e+00 5.07106e+01 245.560 2.71449e+01 245.560 0.6868 
1 1 1 19 17 19 o 8  4.96823e+01 1.17445e+01 5.52281e+01 135.501 -4.12319e+00 4.05172e+00  0.00000e+00 0.00000e+00 6.65477e+01 135.501 1.13196e+01 135.501 0.9088 
1 1 1 19 17 20 o 15 5.93897e+01 1.18299e+01 6.48826e+01 255.735 -1.97998e+00 -7.78766e+00 0.00000e+00 0.00000e+00 8.47152e+01 255.735 1.98326e+01 255.735 0.9355 
1 1 1 19 17 21 o 6  3.65626e+01 1.09574e+01 3.88242e+01 259.505 -5.88442e-01 -3.17642e+00 0.00000e+00 0.00000e+00 4.23158e+01 259.505 3.49161e+00 259.505 0.8257 
1 1 1 19 17 22 o 18 3.46922e+01 1.08985e+01 4.69329e+01 344.742 3.57005e+00  -9.73837e-01 0.00000e+00 0.00000e+00 3.22636e+01 344.742 1.46693e+01 164.742 0.8509 
1 1 1 19 17 23 o 11 4.55578e+01 1.18433e+01 2.98740e+01 56.159  1.59235e+00  2.37492e+00  0.00000e+00 0.00000e+00 6.75936e+01 56.159  3.77195e+01 56.159  0.7990 
1 1 1 19 17 24 o 3  5.82075e+01 1.23938e+01 1.00717e+02 217.365 -1.02184e+01 -7.80273e+00 0.00000e+00 0.00000e+00 4.86443e+01 217.365 5.20725e+01 37.365  0.9603 
1 1 1 19 17 25 o 14 4.01558e+01 2.02071e+01 3.79579e+01 226.731 -1.30952e+00 -1.39113e+00 0.00000e+00 0.00000e+00 3.51228e+01 226.731 2.83513e+00 46.731  0.6825 
1 1 1 19 18 0  o 19 2.28319e+01 1.55972e+01 2.78072e+01 180.000 -6.62552e-01 0.00000e+00  0.00000e+00 0.00000e+00 8.65335e+00 180.000 1.91539e+01 0.000   0.5801 
1 1 1 19 18 1  o 15 3.90500e+01 1.17076e+01 4.32558e+01 241.572 -1.60688e+00 -2.96836e+00 0.00000e+00 0.00000e+00 4.64344e+01 241.572 3.17865e+00 241.572 0.8343 
1 1 1 19 18 2  o 1  5.19674e+01 1.19288e+01 4.37805e+01 63.418  2.00486e+00  4.00670e+00  0.00000e+00 0.00000e+00 8.20611e+01 63.418  3.82805e+01 63.418  0.8797 
1 1 1 19 18 3  o 3  3.90334e+01 1.14550e+01 5.18673e+01 41.508  3.07604e+00  2.72223e+00  0.00000e+00 0.00000e+00 4.13218e+01 41.508  1.05455e+01 221.508 0.8675 
1 1 1 19 18 4  o 8  5.32251e+01 1.26990e+01 5.86449e+01 296.547 2.60930e+00  -5.22263e+00 0.00000e+00 0.00000e+00 7.45713e+01 296.547 1.59263e+01 296.547 0.9098 
1 1 1 19 18 5  o 9  3.33116e+01 1.07556e+01 1.47637e+01 235.252 -5.93223e-01 -8.55183e-01 0.00000e+00 0.00000e+00 2.74366e+01 235.252 1.26729e+01 235.252 0.4607 
1 1 1 19 18 6  f 0  8.27958e+01 1.04944e+01 4.92189e+01 90.090  -1.37129e-02 8.75236e+00  0.00000e+00 0.00000e+00 1.64940e+02 90.090  1.15722e+02 90.090  0.9410 
1 1 1 19 18 7  o 2  4.91553e+01 1.26303e+01 9.66975e+01 239.039 -4.57682e+00 -7.62874e+00 0.00000e+00 0.00000e+00 3.05097e+01 239.039 6.61878e+01 59.039  0.9420 
1 1 1 19 18 8  o 7  1.42540e+02 6.52964e+00 1.63660e+02 94.984  -5.42875e+00 6.22528e+01  0.00000e+00 0.00000e+00 2.24529e+02 94.984  6.08683e+01 94.984  0.9920 
1 1 1 19 18 9  o 6  6.74414e+01 1.16435e+01 6.97768e+01 83.132  1.12110e+00  9.30778e+00  0.00000e+00 0.00000e+00 1.05078e+02 83.132  3.53014e+01 83.132  0.9451 
1 1 1 19 18 10 o 17 7.36675e+01 1.07231e+01 8.62791e+01 84.337  1.32066e+00  1.33176e+01  0.00000e+00 0.00000e+00 1.07959e+02 84.337  2.16794e+01 84.337  0.9619 
1 1 1 19 18 11 o 10 4.69163e+01 1.19658e+01 3.95091e+01 20.358  3.37515e+00  1.25240e+00  0.00000e+00 0.00000e+00 6.92136e+01 20.358  2.97045e+01 20.358  0.8462 
1 1 1 19 18 12 o 2  3.37956e+01 1.06423e+01 2.54467e+01 301.342 1.01625e+00  -1.66866e+00 0.00000e+00 0.00000e+00 3.83565e+01 301.342 1.29098e+01 301.342 0.6900 
1 1 1 19 18 13 o 16 4.10430e+01 1.15507e+01 1.23287e+01 203.221 -9.91232e-01 -4.25264e-01 0.00000e+00 0.00000e+00 4.07901e+01 203.221 2.84615e+01 203.221 0.4736 
1 1 1 19 18 14 o 10 4.75207e+01 1.21062e+01 4.34991e+01 236.185 -2.43139e+00 -3.62991e+00 0.00000e+00 0.00000e+00 7.01844e+01 236.185 2.66853e+01 236.185 0.8763 
1 1 1 19 18 15 o 4  3.56073e+01 1.09964e+01 8.31637e+01 95.765  -6.76592e-01 6.70122e+00  0.00000e+00 0.00000e+00 6.38866e+00 95.765  7.67750e+01 275.765 0.9225 
1 1 1 19 18 16 o 19 2.95557e+01 9.78745e+00 1.60545e+01 152.276 -1.03179e+00 5.42253e-01  0.00000e+00 0.00000e+00 2.43433e+01 152.276 8.28877e+00 152.276 0.5020 
1 1 1 19 18 17 o 5  4.04468e+01 1.17323e+01 2.65123e+01 200.509 -2.13475e+00 -7.98551e-01 0.00000e+00 0.00000e+00 5.47226e+01 200.509 2.82103e+01 200.509 0.7387 
1 1 1 19 18 18 o 15 4.47208e+01 1.24048e+01 3.10258e+01 126.164 -1.65612e+00 2.26576e+00  0.00000e+00 0.00000e+00 6.54448e+01 126.164 3.44190e+01 126.164 0.7946 
1 1 1 19 18 19 o 11 3.18921e+01 1.04017e+01 4.65831e+01 279.507 6.22004e-01  -3.71411e+00 0.00000e+00 0.00000e+00 2.72282e+01 279.507 1.93549e+01 99.507  0.8539 
1 1 1 19 19 0  o 5  5.39197e+01 2.56864e+01 8.72451e+01 180.000 -2.35269e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.93042e+01 180.000 2.79409e+01 0.000   0.9821 
1 1 1 19 19 1  o 5  3.45351e+01 2.02297e+01 7.54530e+01 270.000 -1.43792e-16 -2.34830e+00 0.00000e+00 0.00000e+00 1.83916e+01 270.000 5.70613e+01 90.000  0.9819 
1 1 1 19 19 2  o 6  2.76494e+01 1.80593e+01 7.19855e-01 180.000 -2.00045e-02 0.00000e+00  0.00000e+00 0.00000e+00 8.10439e-01 180.000 9.05833e-02 180.000 0.0200 
1 1 1 19 19 3  o 9  1.18340e+02 1.01072e+01 1.20469e+02 270.000 -1.27321e-15 -2.07931e+01 0.00000e+00 0.00000e+00 2.06914e+02 270.000 8.64457e+01 270.000 1.0000 
1 1 1 19 19 4  o 7  3.72764e+01 2.03923e+01 4.01499e+01 0.000   1.33607e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.96156e+01 0.000   9.46571e+00 0.000   0.8707 
1 1 1 19 19 5  o 14 2.20252e+01 1.52425e+01 1.85451e+01 90.000  2.85328e-17  4.65975e-01  0.00000e+00 0.00000e+00 7.93843e+00 90.000  1.06067e+01 270.000 0.4349 
1 1 1 19 19 6  o 18 6.68841e+01 1.93559e+01 6.62966e+01 180.000 -4.12724e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.18424e+02 180.000 5.21277e+01 180.000 0.9995 
1 1 1 19 19 7  o 8  1.23732e+02 9.79575e+00 1.21037e+02 90.000  1.32745e-15  2.16789e+01  0.00000e+00 0.00000e+00 2.20674e+02 90.000  9.96363e+01 90.000  1.0000 
1 1 1 19 19 8  o 14 4.43091e+01 2.17726e+01 7.55120e+00 0.000   2.75540e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.53167e+01 0.000   1.77655e+01 0.000   0.2688 
1 1 1 19 19 9  o 10 2.33779e+01 1.58528e+01 1.18741e+01 270.000 -1.87046e-17 -3.05468e-01 0.00000e+00 0.00000e+00 7.23001e+00 270.000 4.64408e+00 90.000  0.2963 
1 1 1 19 19 10 o 4  5.67610e+01 2.12026e+01 8.07127e+01 0.000   4.14381e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.56207e+01 0.000   5.09197e+00 180.000 0.9995 
1 1 1 19 19 11 o 2  3.20141e+01 1.92603e+01 4.32337e+01 270.000 -8.48323e-17 -1.38542e+00 0.00000e+00 0.00000e+00 3.45188e+01 270.000 8.71484e+00 90.000  0.8822 
1 1 1 20 0  0  o 12 3.14032e+02 1.14819e+01 4.13680e+02 0.000   2.40916e+01  0.00000e+00  0.00000e+00 0.00000e+00 4.16528e+02 0.000   2.84767e+00 0.000   1.0000 
1 1 1 20 0  1  o 1  1.55589e+02 1.14752e+01 1.06039e+02 45.000  4.19057e+00  4.19057e+00  0.00000e+00 0.00000e+00 3.05269e+02 45.000  1.99231e+02 45.000  1.0000 
1 1 1 20 0  2  o 8  9.83325e+01 1.90178e+01 1.27694e+02 270.000 -2.48790e-16 -4.06305e+00 0.00000e+00 0.00000e+00 1.32070e+02 270.000 4.37596e+00 270.000 0.9994 
1 1 1 20 0  3  o 10 4.14884e+01 2.27405e+01 1.67640e+01 315.000 1.49033e-01  -1.49033e-01 0.00000e+00 0.00000e+00 6.00815e+00 315.000 1.07558e+01 135.000 0.2077 
1 1 1 20 0  4  o 19 1.09093e+02 1.20985e+01 2.18661e+02 180.000 -8.47125e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.95504e+01 180.000 1.49111e+02 0.000   1.0000 
1 1 1 20 0  5  o 9  1.50581e+02 9.36743e+00 1.82542e+02 45.000  7.07787e+00  7.07787e+00  0.00000e+00 0.00000e+00 2.15120e+02 45.000  3.25776e+01 45.000  1.0000 
1 1 1 20 0  6  o 9  1.52644e+02 8.98384e+00 1.29772e+02 90.000  4.41697e-16  7.21346e+00  0.00000e+00 0.00000e+00 2.73146e+02 90.000  1.43373e+02 90.000  1.0000 
1 1 1 20 0  7  o 1  2.27578e+01 1.58124e+01 1.13101e+02 315.000 6.10653e-01  -6.10653e-01 0.00000e+00 0.00000e+00 7.11880e+01 135.000 1.84289e+02 135.000 0.6981 
1 1 1 20 0  8  o 15 8.20059e+01 1.64882e+01 4.58377e+01 180.000 -1.30184e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.40571e+02 180.000 9.47330e+01 180.000 0.8622 
1 1 1 20 0  9  o 13 1.32719e+02 1.00037e+01 1.42749e+02 225.000 -5.00827e+00 -5.00827e+00 0.00000e+00 0.00000e+00 2.06897e+02 225.000 6.41482e+01 225.000 1.0000 
1 1 1 20 0  10 o 8  8.73572e+01 1.85028e+01 8.02008e+01 90.000  1.42557e-16  2.32814e+00  0.00000e+00 0.00000e+00 1.45423e+02 90.000  6.52220e+01 90.000  0.9812 
1 1 1 20 0  11 o 16 5.95907e+01 2.42477e+01 1.27339e+02 135.000 -1.60204e+00 1.60204e+00  0.00000e+00 0.00000e+00 2.60427e+01 135.000 1.01296e+02 315.000 0.9787 
1 1 1 20 0  12 o 19 1.29040e+02 1.20724e+01 9.80494e+01 0.000   4.63501e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.40919e+02 0.000   1.42869e+02 0.000   0.9998 
1 1 1 20 0  13 o 13 2.22159e+01 1.57411e+01 1.29634e+02 45.000  7.06263e-01  7.06263e-01  0.00000e+00 0.00000e+00 8.52577e+01 225.000 2.14892e+02 225.000 0.7611 
1 1 1 20 0  14 o 2  1.73612e+02 8.35268e+00 2.59504e+02 270.000 -1.05967e-15 -1.73058e+01 0.00000e+00 0.00000e+00 1.95610e+02 270.000 6.38944e+01 90.000  1.0000 
1 1 1 20 0  15 o 19 1.79982e+02 8.02115e+00 1.82907e+02 135.000 -8.88912e+00 8.88912e+00  0.00000e+00 0.00000e+00 2.88318e+02 135.000 1.05411e+02 135.000 1.0000 
1 1 1 20 0  16 o 7  8.92991e+01 1.46620e+01 1.57214e+02 180.000 -4.94376e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.62496e+01 180.000 8.09648e+01 0.000   0.9999 
1 1 1 20 0  17 o 2  1.05453e+02 1.21620e+01 9.38693e+01 225.000 -2.77189e+00 -2.77189e+00 0.00000e+00 0.00000e+00 1.81247e+02 225.000 8.73776e+01 225.000 0.9992 
1 1 1 20 0  18 o 2  2.79565e+01 1.79424e+01 4.60928e+01 270.000 -2.77952e-17 -4.53931e-01 0.00000e+00 0.00000e+00 1.51085e+01 90.000  6.12013e+01 90.000  0.4251 
1 1 1 20 0  19 o 9  1.36579e+02 9.42680e+00 1.20553e+02 315.000 4.54367e+00  -4.54367e+00 0.00000e+00 0.00000e+00 2.34942e+02 315.000 1.14390e+02 315.000 1.0000 
1 1 1 20 0  20 o 18 8.78915e+01 1.38603e+01 1.29087e+01 0.000   5.22524e-01  0.00000e+00  0.00000e+00 0.00000e+00 9.66349e+01 0.000   8.37262e+01 0.000   0.4796 
1 1 1 20 0  21 o 10 2.20320e+02 7.34368e+00 2.64319e+02 225.000 -2.04408e+01 -2.04408e+01 0.00000e+00 0.00000e+00 3.07165e+02 225.000 4.28456e+01 225.000 1.0000 
1 1 1 20 0  22 o 10 1.98185e+02 7.54425e+00 2.03283e+02 90.000  1.08813e-15  1.77706e+01  0.00000e+00 0.00000e+00 3.09834e+02 90.000  1.06551e+02 90.000  1.0000 
1 1 1 20 0  23 o 1  7.22984e+01 1.80479e+01 7.50336e+01 315.000 1.76994e+00  -1.76994e+00 0.00000e+00 0.00000e+00 1.09304e+02 315.000 3.42707e+01 315.000 0.9867 
1 1 1 20 0  24 o 3  1.26830e+02 9.74159e+00 1.37178e+02 180.000 -9.19526e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.89895e+02 180.000 5.27174e+01 180.000 1.0000 
1 1 1 20 0  25 o 14 8.33893e+01 1.50428e+01 5.46055e+01 45.000  1.61085e+00  1.61085e+00  0.00000e+00 0.00000e+00 1.55526e+02 45.000  1.00921e+02 45.000  0.9792 
1 1 1 20 0  26 o 7  2.46205e+02 6.53867e+00 2.99723e+02 270.000 -2.43809e-15 -3.98170e+01 0.00000e+00 0.00000e+00 3.32462e+02 270.000 3.27388e+01 270.000 1.0000 
1 1 1 20 0  27 o 17 2.50564e+01 1.65902e+01 2.41514e+01 135.000 -2.29127e-01 2.29127e-01  0.00000e+00 0.00000e+00 4.05006e+00 315.000 2.82015e+01 315.000 0.3131 
1 1 1 20 0  28 o 10 6.63306e+01 1.89607e+01 1.37036e+02 0.000   4.55133e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.24534e+01 0.000   1.04582e+02 180.000 0.9998 
1 1 1 20 0  29 o 12 1.13856e+02 1.05618e+01 1.71842e+02 45.000  8.74490e+00  8.74490e+00  0.00000e+00 0.00000e+00 1.18436e+02 45.000  5.34054e+01 225.000 1.0000 
1 1 1 20 0  31 o 15 4.91903e+01 2.13121e+01 9.42888e+01 135.000 -1.78116e+00 1.78116e+00  0.00000e+00 0.00000e+00 2.88668e+01 135.000 6.54220e+01 315.000 0.9871 
1 1 1 20 0  32 o 14 8.11967e+01 1.53579e+01 3.14139e+01 180.000 -1.65515e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.59503e+02 180.000 1.28089e+02 180.000 0.9296 
1 1 1 20 0  33 f 0  8.40334e+01 1.41167e+01 5.37303e+01 45.000  2.03644e+00  2.03644e+00  0.00000e+00 0.00000e+00 1.56902e+02 45.000  1.03172e+02 45.000  0.9937 
1 1 1 20 0  34 o 15 2.78746e+01 1.73973e+01 4.91640e+01 90.000  5.16952e-17  8.44247e-01  0.00000e+00 0.00000e+00 9.26380e-01 270.000 5.00904e+01 270.000 0.6881 
1 1 1 20 0  35 o 19 3.45435e+01 1.92865e+01 5.13383e+01 135.000 -7.51930e-01 7.51930e-01  0.00000e+00 0.00000e+00 1.68298e+01 135.000 3.45085e+01 315.000 0.7870 
1 1 1 20 0  36 o 7  3.39130e+01 1.95614e+01 6.26977e+01 0.000   1.38190e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.20264e+01 0.000   5.06713e+01 180.000 0.8814 
1 1 1 20 0  37 o 9  3.54086e+01 1.97180e+01 1.22597e+01 45.000  1.98437e-01  1.98437e-01  0.00000e+00 0.00000e+00 1.18736e+01 45.000  3.86162e-01 225.000 0.2735 
1 1 1 20 0  38 o 3  2.91166e+01 1.81211e+01 2.16143e+01 270.000 -2.55729e-17 -4.17637e-01 0.00000e+00 0.00000e+00 6.95048e+00 270.000 1.46638e+01 90.000  0.3949 
1 1 1 20 0  39 o 13 9.86060e+01 1.18336e+01 5.09212e+01 315.000 3.16253e+00  -3.16253e+00 0.00000e+00 0.00000e+00 1.93145e+02 315.000 1.42224e+02 315.000 0.9997 
1 1 1 20 0  40 o 17 3.99032e+01 2.00739e+01 7.61381e+01 180.000 -2.06961e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.92302e+01 180.000 5.69079e+01 0.000   0.9686 
1 1 1 20 0  41 o 11 2.79999e+01 1.76987e+01 3.09634e+01 225.000 -4.86856e-01 -4.86856e-01 0.00000e+00 0.00000e+00 1.01395e+01 225.000 2.08239e+01 45.000  0.5970 
1 1 1 20 0  42 o 10 2.13795e+01 1.46983e+01 1.76832e+01 90.000  2.16421e-17  3.53442e-01  0.00000e+00 0.00000e+00 9.58018e-02 90.000  1.75874e+01 270.000 0.3394 
1 1 1 20 0  43 o 16 2.93848e+01 1.79928e+01 4.09806e+01 135.000 -7.31669e-01 7.31669e-01  0.00000e+00 0.00000e+00 1.46670e+01 135.000 2.63136e+01 315.000 0.7758 
1 1 1 20 0  44 o 19 5.26346e+01 2.02472e+01 1.88382e+01 0.000   8.18356e-01  0.00000e+00  0.00000e+00 0.00000e+00 6.74570e+01 0.000   4.86188e+01 0.000   0.6742 
1 1 1 20 0  45 o 9  2.94235e+01 1.79775e+01 4.72912e+01 45.000  9.49710e-01  9.49710e-01  0.00000e+00 0.00000e+00 1.48949e+01 45.000  3.23963e+01 225.000 0.8724 
1 1 1 20 0  46 o 10 8.16851e+01 1.43442e+01 9.67321e+01 90.000  5.55735e-16  9.07585e+00  0.00000e+00 0.00000e+00 1.00380e+02 90.000  3.64827e+00 90.000  1.0000 
1 1 1 20 0  47 o 17 4.01433e+01 2.19538e+01 8.11648e+01 315.000 2.02927e+00  -2.02927e+00 0.00000e+00 0.00000e+00 1.46978e+01 315.000 6.64670e+01 135.000 0.9936 
1 1 1 20 1  0  o 4  2.10980e+02 9.51423e+00 2.13900e+02 0.000   1.65116e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.43949e+02 0.000   1.30048e+02 0.000   1.0000 
1 1 1 20 1  1  o 16 4.62198e+01 1.38068e+01 2.95716e+01 50.956  5.52190e-01  6.80837e-01  0.00000e+00 0.00000e+00 1.94282e+01 50.956  1.01434e+01 230.956 0.4010 
1 1 1 20 1  2  o 11 8.60447e+01 1.28569e+01 1.31189e+02 207.543 -6.55481e+00 -3.41847e+00 0.00000e+00 0.00000e+00 8.02838e+01 207.543 5.09049e+01 27.543  0.9297 
1 1 1 20 1  3  o 10 1.83381e+02 6.08999e+00 2.48626e+02 325.011 2.74742e+01  -1.92295e+01 0.00000e+00 0.00000e+00 2.28778e+02 325.011 1.98480e+01 145.011 0.9850 
1 1 1 20 1  4  o 2  7.52917e+01 1.19875e+01 6.98766e+01 46.029  2.42972e+00  2.51858e+00  0.00000e+00 0.00000e+00 9.74478e+01 46.029  2.75712e+01 46.029  0.8411 
1 1 1 20 1  5  o 4  1.28002e+02 7.65740e+00 1.46319e+02 12.302  1.31197e+01  2.86101e+00  0.00000e+00 0.00000e+00 1.78922e+02 12.302  3.26021e+01 12.302  0.9620 
1 1 1 20 1  6  o 14 7.26628e+01 1.20920e+01 1.55393e+02 270.459 5.96670e-02  -7.45255e+00 0.00000e+00 0.00000e+00 2.30586e+01 270.459 1.32334e+02 90.459  0.9303 
1 1 1 20 1  7  o 14 6.10652e+01 1.25768e+01 1.96412e+01 143.961 -6.60119e-01 4.80290e-01  0.00000e+00 0.00000e+00 4.11920e+01 143.961 2.15508e+01 143.961 0.3776 
1 1 1 20 1  8  o 1  1.39096e+02 6.92907e+00 1.30382e+02 288.424 4.30966e+00  -1.29369e+01 0.00000e+00 0.00000e+00 2.22669e+02 288.424 9.22871e+01 288.424 0.9626 
1 1 1 20 1  9  f 0  1.16007e+02 8.06489e+00 1.82640e+02 334.237 1.40369e+01  -6.77452e+00 0.00000e+00 0.00000e+00 1.13049e+02 334.237 6.95918e+01 154.237 0.9674 
1 1 1 20 1  10 o 12 5.49872e+01 1.40303e+01 9.69889e+01 326.658 2.89182e+00  -1.90262e+00 0.00000e+00 0.00000e+00 2.44791e+01 326.658 7.25097e+01 146.658 0.8391 
1 1 1 20 1  11 o 3  1.87689e+02 6.35404e+00 2.61527e+02 321.808 2.93335e+01  -2.30768e+01 0.00000e+00 0.00000e+00 2.25495e+02 321.808 3.60321e+01 141.808 0.9865 
1 1 1 20 1  12 o 9  1.16879e+02 9.10963e+00 8.73115e+01 267.378 -3.38211e-01 -7.38578e+00 0.00000e+00 0.00000e+00 1.98216e+02 267.378 1.10905e+02 267.378 0.9297 
1 1 1 20 1  13 o 17 1.11492e+02 9.69147e+00 1.62453e+02 219.044 -1.00158e+01 -8.12351e+00 0.00000e+00 0.00000e+00 1.18612e+02 219.044 4.38408e+01 39.044  0.9604 
1 1 1 20 1  14 o 3  4.32638e+01 1.26309e+01 3.93659e+01 292.981 4.53234e-01  -1.06873e+00 0.00000e+00 0.00000e+00 1.74048e+01 292.981 2.19611e+01 112.981 0.5005 
1 1 1 20 1  15 o 17 1.81787e+02 5.97352e+00 1.92557e+02 263.549 -2.98864e+00 -2.64310e+01 0.00000e+00 0.00000e+00 2.74425e+02 263.549 8.18678e+01 263.549 0.9810 
1 1 1 20 1  16 o 8  4.50625e+01 1.22371e+01 1.07300e+02 353.042 3.55041e+00  -4.33281e-01 0.00000e+00 0.00000e+00 7.72306e+00 173.042 1.15023e+02 173.042 0.8450 
1 1 1 20 1  17 o 10 1.71151e+02 5.84465e+00 2.15145e+02 103.400 -7.03766e+00 2.95416e+01  0.00000e+00 0.00000e+00 2.24363e+02 103.400 9.21764e+00 103.400 0.9834 
1 1 1 20 1  18 f 0  1.53331e+02 6.31391e+00 2.24148e+02 89.542  2.17515e-01  2.72012e+01  0.00000e+00 0.00000e+00 1.68226e+02 89.542  5.59215e+01 269.542 0.9814 
1 1 1 20 1  19 o 2  8.46798e+01 1.00743e+01 1.37848e+02 102.319 -1.83472e+00 8.40147e+00  0.00000e+00 0.00000e+00 6.93488e+01 102.319 6.84990e+01 282.319 0.9399 
1 1 1 20 1  20 o 14 6.35724e+01 1.23746e+01 1.11800e+02 99.057  -9.63499e-01 6.04410e+00  0.00000e+00 0.00000e+00 3.92380e+01 99.057  7.25620e+01 279.057 0.9142 
1 1 1 20 1  21 o 6  1.93232e+02 5.45583e+00 2.70557e+02 289.359 1.71193e+01  -4.87242e+01 0.00000e+00 0.00000e+00 2.25860e+02 289.359 4.46979e+01 109.359 0.9903 
1 1 1 20 1  22 o 14 8.44630e+01 1.05284e+01 1.09102e+02 12.066  7.25622e+00  1.55110e+00  0.00000e+00 0.00000e+00 9.42888e+01 12.066  1.48129e+01 192.066 0.9299 
1 1 1 20 1  23 o 12 8.13800e+01 1.03445e+01 6.15305e+01 244.965 -2.09229e+00 -4.47984e+00 0.00000e+00 0.00000e+00 1.26091e+02 244.965 6.45610e+01 244.965 0.8921 
1 1 1 20 1  24 o 16 1.00070e+02 8.30272e+00 1.29346e+02 122.763 -7.18414e+00 1.11633e+01  0.00000e+00 0.00000e+00 1.18835e+02 122.763 1.05110e+01 302.763 0.9616 
1 1 1 20 1  25 o 15 5.22669e+01 1.24350e+01 1.25400e+02 69.984  2.12838e+00  5.84249e+00  0.00000e+00 0.00000e+00 2.22957e+00 249.984 1.27630e+02 249.984 0.9156 
1 1 1 20 1  26 o 16 3.43493e+01 1.08238e+01 5.53832e+01 165.895 -1.75558e+00 4.41124e-01  0.00000e+00 0.00000e+00 3.18951e+00 165.895 5.21937e+01 345.895 0.6640 
1 1 1 20 1  27 o 14 1.20428e+02 7.13989e+00 1.53645e+02 114.998 -9.49137e+00 2.03557e+01  0.00000e+00 0.00000e+00 1.47970e+02 114.998 5.67475e+00 294.998 0.9775 
1 1 1 20 1  28 o 18 6.82324e+01 1.12622e+01 1.01348e+02 36.771  5.94333e+00  4.44155e+00  0.00000e+00 0.00000e+00 6.08456e+01 36.771  4.05020e+01 216.771 0.9299 
1 1 1 20 1  29 o 4  7.68216e+01 1.86887e+01 5.95326e+01 240.024 -1.95944e+00 -3.39710e+00 0.00000e+00 0.00000e+00 1.09016e+02 240.024 4.94831e+01 240.024 0.8604 
1 1 1 20 1  30 o 18 1.58706e+02 1.82350e+01 1.82240e+02 273.699 1.38301e+00  -2.13896e+01 0.00000e+00 0.00000e+00 2.11882e+02 273.699 2.96422e+01 273.699 0.9764 
1 1 1 20 1  31 o 17 1.70189e+02 5.37092e+00 1.76882e+02 58.623  2.33918e+01  3.83563e+01  0.00000e+00 0.00000e+00 2.50007e+02 58.623  7.31248e+01 58.623  0.9888 
1 1 1 20 1  32 o 6  5.02162e+01 1.20937e+01 6.51001e+01 270.642 4.53991e-02  -4.04973e+00 0.00000e+00 0.00000e+00 4.48411e+01 270.642 2.02590e+01 90.642  0.8654 
1 1 1 20 1  33 o 15 5.63550e+01 1.18754e+01 6.08971e+01 121.836 -2.16291e+00 3.48357e+00  0.00000e+00 0.00000e+00 6.24027e+01 121.836 1.50561e+00 121.836 0.8673 
1 1 1 20 1  34 o 4  3.49880e+01 1.07574e+01 2.03661e+01 98.451  -1.36425e-01 9.18175e-01  0.00000e+00 0.00000e+00 1.66329e+01 98.451  3.73325e+00 278.451 0.4204 
1 1 1 20 1  35 o 18 9.48739e+01 8.14745e+00 1.20525e+02 155.185 -1.51593e+01 7.00928e+00  0.00000e+00 0.00000e+00 1.10180e+02 155.185 1.03445e+01 335.185 0.9696 
1 1 1 20 1  36 o 10 6.73814e+01 1.16445e+01 6.97005e+01 71.946  2.07833e+00  6.37600e+00  0.00000e+00 0.00000e+00 8.56495e+01 71.946  1.59490e+01 71.946  0.9221 
1 1 1 20 1  37 o 5  5.30148e+01 1.21893e+01 7.64704e+01 76.609  1.30950e+00  5.50038e+00  0.00000e+00 0.00000e+00 4.33286e+01 76.609  3.31418e+01 256.609 0.9066 
1 1 1 20 1  38 o 16 7.60140e+01 1.14548e+01 1.23607e+02 273.634 8.35125e-01  -1.31482e+01 0.00000e+00 0.00000e+00 5.79274e+01 273.634 6.56800e+01 93.634  0.9613 
1 1 1 20 1  39 o 6  3.63213e+01 1.07321e+01 4.19529e+01 41.623  1.84371e+00  1.63827e+00  0.00000e+00 0.00000e+00 2.65159e+01 41.623  1.54370e+01 221.623 0.7613 
1 1 1 20 1  40 o 19 4.09082e+01 1.13364e+01 4.80348e+01 75.303  7.81189e-01  2.97837e+00  0.00000e+00 0.00000e+00 3.43077e+01 75.303  1.37271e+01 255.303 0.8157 
1 1 1 20 1  41 o 3  1.27931e+02 6.82689e+00 1.46189e+02 51.059  2.37545e+01  2.93966e+01  0.00000e+00 0.00000e+00 1.64219e+02 51.059  1.80305e+01 51.059  0.9867 
1 1 1 20 1  42 o 10 4.60079e+01 1.08578e+01 3.42141e+01 56.509  1.58683e+00  2.39827e+00  0.00000e+00 0.00000e+00 5.60148e+01 56.509  2.18007e+01 56.509  0.8004 
1 1 1 20 1  43 o 3  4.32843e+01 1.16955e+01 3.23493e+01 265.333 -2.06508e-01 -2.52954e+00 0.00000e+00 0.00000e+00 4.89201e+01 265.333 1.65708e+01 265.333 0.7691 
1 1 1 20 1  44 o 8  9.43176e+01 8.17333e+00 1.18980e+02 229.144 -1.68152e+01 -1.94419e+01 0.00000e+00 0.00000e+00 1.05915e+02 229.144 1.30648e+01 49.144  0.9804 
1 1 1 20 1  45 o 5  8.32188e+01 9.70257e+00 9.87786e+01 245.246 -7.88268e+00 -1.70958e+01 0.00000e+00 0.00000e+00 9.74228e+01 245.246 1.35583e+00 65.246  0.9731 
1 1 1 20 1  46 o 8  3.49050e+01 1.10165e+01 3.16473e+01 105.889 -6.60394e-01 2.32003e+00  0.00000e+00 0.00000e+00 3.19624e+01 105.889 3.15155e-01 105.889 0.7551 
1 1 1 20 1  47 o 17 1.16231e+02 7.91923e+00 1.01119e+02 331.068 2.90799e+01  -1.60740e+01 0.00000e+00 0.00000e+00 1.74035e+02 331.068 7.29152e+01 331.068 0.9848 
1 1 1 20 2  0  o 11 8.96648e+01 2.09095e+01 1.92104e+01 0.000   5.37415e-01  0.00000e+00  0.00000e+00 0.00000e+00 9.72529e+01 0.000   7.80424e+01 0.000   0.4910 
1 1 1 20 2  1  o 19 1.82487e+02 7.31928e+00 2.22542e+02 324.246 2.38003e+01  -1.71365e+01 0.00000e+00 0.00000e+00 2.51851e+02 324.246 2.93089e+01 324.246 0.9828 
1 1 1 20 2  2  o 6  1.75866e+02 7.44749e+00 2.37029e+02 91.079  -5.65111e-01 3.00168e+01  0.00000e+00 0.00000e+00 2.20280e+02 91.079  1.67490e+01 271.078 0.9832 
1 1 1 20 2  3  o 8  4.33444e+01 1.25182e+01 5.64133e+01 345.336 1.55174e+00  -4.06059e-01 0.00000e+00 0.00000e+00 1.47379e+01 345.336 4.16755e+01 165.336 0.6208 
1 1 1 20 2  4  o 8  5.88545e+01 1.35193e+01 2.34136e+01 311.679 5.86691e-01  -6.58977e-01 0.00000e+00 0.00000e+00 3.93044e+01 311.679 1.58908e+01 311.679 0.4031 
1 1 1 20 2  5  o 18 1.73956e+02 6.18138e+00 1.82516e+02 38.718  1.80218e+01  1.44476e+01  0.00000e+00 0.00000e+00 2.67075e+02 38.718  8.45588e+01 38.718  0.9781 
1 1 1 20 2  6  o 7  9.42772e+01 9.37606e+00 1.56832e+02 241.846 -5.06356e+00 -9.46178e+00 0.00000e+00 0.00000e+00 8.02623e+01 241.846 7.65701e+01 61.846  0.9522 
1 1 1 20 2  7  o 14 4.23003e+01 1.21684e+01 5.94319e+01 138.859 -1.29457e+00 1.13097e+00  0.00000e+00 0.00000e+00 1.26761e+01 138.859 4.67558e+01 318.859 0.6458 
1 1 1 20 2  8  o 7  1.05692e+02 8.44900e+00 1.24374e+02 234.720 -5.55254e+00 -7.84802e+00 0.00000e+00 0.00000e+00 1.39507e+02 234.720 1.51326e+01 234.720 0.9465 
1 1 1 20 2  9  o 4  1.93503e+02 5.41483e+00 1.74879e+02 212.845 -2.15562e+01 -1.39162e+01 0.00000e+00 0.00000e+00 3.25151e+02 212.845 1.50272e+02 212.845 0.9803 
1 1 1 20 2  10 o 17 5.37257e+01 1.34814e+01 8.97520e+01 312.444 2.17049e+00  -2.37329e+00 0.00000e+00 0.00000e+00 2.69571e+01 312.444 6.27950e+01 132.444 0.8248 
1 1 1 20 2  11 o 16 8.71434e+01 1.19590e+01 7.92502e+01 178.074 -4.73898e+00 1.59350e-01  0.00000e+00 0.00000e+00 1.24156e+02 178.074 4.49057e+01 178.074 0.8870 
1 1 1 20 2  12 o 17 5.49482e+01 1.39526e+01 1.01742e+02 144.140 -2.95486e+00 2.13584e+00  0.00000e+00 0.00000e+00 2.08055e+01 144.140 8.09370e+01 324.140 0.8484 
1 1 1 20 2  13 o 1  7.05461e+01 1.31607e+01 7.39239e+01 333.024 3.13821e+00  -1.59735e+00 0.00000e+00 0.00000e+00 8.20988e+01 333.024 8.17486e+00 333.024 0.8422 
1 1 1 20 2  14 o 16 5.56351e+01 1.23460e+01 5.87868e+01 146.826 -1.86998e+00 1.22245e+00  0.00000e+00 0.00000e+00 4.81350e+01 146.826 1.06517e+01 326.826 0.7327 
1 1 1 20 2  15 o 14 9.82706e+01 9.82181e+00 1.12424e+02 316.021 5.67159e+00  -5.47305e+00 0.00000e+00 0.00000e+00 1.28078e+02 316.021 1.56542e+01 316.021 0.9342 
1 1 1 20 2  16 o 2  1.46570e+02 6.61370e+00 1.34925e+02 245.938 -6.61510e+00 -1.48148e+01 0.00000e+00 0.00000e+00 2.36513e+02 245.938 1.01588e+02 245.938 0.9687 
1 1 1 20 2  17 o 7  4.62009e+01 1.23027e+01 5.09512e+01 240.648 -8.41454e-01 -1.49628e+00 0.00000e+00 0.00000e+00 2.69358e+01 240.648 2.40154e+01 60.648  0.6453 
1 1 1 20 2  18 o 1  4.41981e+01 1.22879e+01 4.08272e+01 46.224  8.82751e-01  9.21295e-01  0.00000e+00 0.00000e+00 2.09311e+01 46.224  1.98961e+01 226.224 0.5357 
1 1 1 20 2  19 o 16 3.92337e+01 1.16862e+01 8.55791e+01 189.285 -2.35180e+00 -3.84482e-01 0.00000e+00 0.00000e+00 8.77728e+00 9.285   9.43564e+01 9.285   0.7517 
1 1 1 20 2  20 o 12 4.25356e+01 1.21005e+01 5.98287e+01 41.675  1.64304e+00  1.46262e+00  0.00000e+00 0.00000e+00 2.06806e+01 41.675  3.91481e+01 221.675 0.7280 
1 1 1 20 2  21 o 19 4.01555e+01 1.18248e+01 2.80849e+01 278.342 1.28739e-01  -8.77975e-01 0.00000e+00 0.00000e+00 1.41297e+01 278.342 1.39552e+01 98.342  0.4051 
1 1 1 20 2  22 o 12 6.75544e+01 1.13486e+01 8.35274e+01 66.120  1.79834e+00  4.06202e+00  0.00000e+00 0.00000e+00 7.02322e+01 66.120  1.32953e+01 246.120 0.8786 
1 1 1 20 2  23 o 2  1.42823e+02 6.75616e+00 1.74806e+02 269.619 -1.77121e-01 -2.66373e+01 0.00000e+00 0.00000e+00 1.87467e+02 269.619 1.26610e+01 269.619 0.9810 
1 1 1 20 2  24 o 1  4.67061e+01 1.19487e+01 8.74480e+01 258.803 -7.69192e-01 -3.88587e+00 0.00000e+00 0.00000e+00 1.64383e+01 258.803 7.10097e+01 78.803  0.8620 
1 1 1 20 2  25 o 16 4.25673e+01 1.18863e+01 3.14281e+01 117.791 -5.99363e-01 1.13721e+00  0.00000e+00 0.00000e+00 2.75898e+01 117.791 3.83838e+00 297.791 0.5385 
1 1 1 20 2  26 f 0  1.55922e+02 5.81585e+00 1.85806e+02 92.278  -1.21504e+00 3.05399e+01  0.00000e+00 0.00000e+00 2.08177e+02 92.278  2.23703e+01 92.278  0.9835 
1 1 1 20 2  27 o 19 4.42066e+01 1.19205e+01 4.00357e+01 142.137 -1.48054e+00 1.15102e+00  0.00000e+00 0.00000e+00 3.65883e+01 142.137 3.44743e+00 322.137 0.6762 
1 1 1 20 2  28 o 14 7.88546e+01 1.02719e+01 1.02446e+02 183.142 -9.51537e+00 -5.22369e-01 0.00000e+00 0.00000e+00 8.83114e+01 183.142 1.41346e+01 3.142   0.9460 
1 1 1 20 2  30 o 14 3.36333e+01 1.05767e+01 3.86336e+01 326.156 1.00609e+00  -6.74647e-01 0.00000e+00 0.00000e+00 5.54948e+00 326.156 3.30841e+01 146.156 0.5163 
1 1 1 20 2  31 o 12 4.09306e+01 1.14838e+01 6.70058e+01 320.406 2.63085e+00  -2.17595e+00 0.00000e+00 0.00000e+00 1.98831e+01 320.406 4.71226e+01 140.406 0.8365 
1 1 1 20 2  32 o 12 4.63903e+01 1.19135e+01 4.37732e+01 160.882 -2.38586e+00 8.27001e-01  0.00000e+00 0.00000e+00 4.63623e+01 160.882 2.58912e+00 160.882 0.7677 
1 1 1 20 2  33 o 4  4.74543e+01 1.21486e+01 4.68091e+01 210.383 -2.26014e+00 -1.32509e+00 0.00000e+00 0.00000e+00 4.63015e+01 210.383 5.07650e-01 30.383  0.7774 
1 1 1 20 2  34 o 17 8.33038e+01 9.12320e+00 8.21728e+01 304.261 5.28491e+00  -7.75880e+00 0.00000e+00 0.00000e+00 1.15963e+02 304.261 3.37899e+01 304.261 0.9451 
1 1 1 20 2  35 o 11 7.76913e+01 1.05005e+01 1.18768e+02 11.489  1.21862e+01  2.47696e+00  0.00000e+00 0.00000e+00 6.81540e+01 11.489  5.06140e+01 191.489 0.9589 
1 1 1 20 2  36 o 16 6.33065e+01 1.14844e+01 7.08876e+01 267.289 -3.04246e-01 -6.42505e+00 0.00000e+00 0.00000e+00 7.45751e+01 267.289 3.68750e+00 267.289 0.9186 
1 1 1 20 2  37 o 2  6.17089e+01 1.21094e+01 7.84247e+01 10.060  6.64947e+00  1.17967e+00  0.00000e+00 0.00000e+00 6.35486e+01 10.060  1.48761e+01 190.060 0.9227 
1 1 1 20 2  38 o 18 6.95147e+01 1.22333e+01 9.13983e+01 132.144 -6.51798e+00 7.20236e+00  0.00000e+00 0.00000e+00 7.22273e+01 132.144 1.91711e+01 312.144 0.9470 
1 1 1 20 2  39 o 18 2.83809e+01 9.52940e+00 5.45901e+01 325.321 2.15587e+00  -1.49161e+00 0.00000e+00 0.00000e+00 7.95280e-02 325.321 5.45106e+01 145.321 0.7776 
1 1 1 20 2  40 o 18 2.88882e+01 9.57896e+00 5.67804e+01 50.345  1.76064e+00  2.12410e+00  0.00000e+00 0.00000e+00 4.06062e-01 230.345 5.71864e+01 230.345 0.7905 
1 1 1 20 2  41 o 3  1.12911e+02 7.92469e+00 1.20395e+02 214.717 -2.16453e+01 -1.49973e+01 0.00000e+00 0.00000e+00 1.52061e+02 214.717 3.16660e+01 214.717 0.9808 
1 1 1 20 2  42 o 13 4.92068e+01 1.18405e+01 6.16012e+01 35.430  4.28708e+00  3.05010e+00  0.00000e+00 0.00000e+00 4.68541e+01 35.430  1.47470e+01 215.430 0.8991 
1 1 1 20 2  43 o 3  4.79049e+01 1.20622e+01 6.75740e+01 128.996 -3.85208e+00 4.75765e+00  0.00000e+00 0.00000e+00 3.93919e+01 128.996 2.81821e+01 308.996 0.9142 
1 1 1 20 2  44 o 19 5.56964e+01 1.15811e+01 3.05141e+01 194.167 -3.17119e+00 -8.00515e-01 0.00000e+00 0.00000e+00 8.17221e+01 194.167 5.12080e+01 194.167 0.8282 
1 1 1 20 2  45 o 19 9.32686e+01 9.06229e+00 8.61538e+01 26.316  1.70221e+01  8.41889e+00  0.00000e+00 0.00000e+00 1.33889e+02 26.316  4.77350e+01 26.316  0.9733 
1 1 1 20 2  46 o 10 3.53506e+01 1.11235e+01 4.23974e+01 292.971 1.25232e+00  -2.95443e+00 0.00000e+00 0.00000e+00 2.79597e+01 292.971 1.44377e+01 112.971 0.8243 
1 1 1 20 2  47 o 4  3.77126e+01 1.16417e+01 4.00022e+01 287.004 9.97796e-01  -3.26284e+00 0.00000e+00 0.00000e+00 3.58488e+01 287.004 4.15345e+00 107.004 0.8364 
1 1 1 20 3  0  o 11 3.98192e+02 7.77900e+00 4.41709e+02 180.000 -6.77623e+01 0.00000e+00  0.00000e+00 0.00000e+00 6.12342e+02 180.000 1.70633e+02 180.000 1.0000 
1 1 1 20 3  1  o 18 8.69999e+01 1.45145e+01 7.66926e+01 115.495 -1.86855e+00 3.91839e+00  0.00000e+00 0.00000e+00 1.24916e+02 115.495 4.82232e+01 115.495 0.8755 
1 1 1 20 3  2  o 1  3.02218e+02 5.16389e+00 3.37679e+02 44.888  5.58461e+01  5.56280e+01  0.00000e+00 0.00000e+00 4.57091e+02 44.888  1.19411e+02 44.888  0.9936 
1 1 1 20 3  3  o 15 1.77197e+02 6.26924e+00 2.57800e+02 338.694 3.24026e+01  -1.26372e+01 0.00000e+00 0.00000e+00 2.04283e+02 338.694 5.35169e+01 158.694 0.9855 
1 1 1 20 3  4  o 3  2.55959e+02 5.39952e+00 2.63078e+02 347.737 5.05039e+01  -1.09779e+01 0.00000e+00 0.00000e+00 4.07419e+02 347.737 1.44341e+02 347.737 0.9903 
1 1 1 20 3  5  o 7  8.29835e+01 1.13755e+01 1.10943e+02 196.408 -6.13686e+00 -1.80705e+00 0.00000e+00 0.00000e+00 9.05184e+01 196.408 2.04250e+01 16.408  0.9181 
1 1 1 20 3  6  o 15 1.49770e+02 6.47378e+00 2.15078e+02 232.520 -1.47604e+01 -1.92500e+01 0.00000e+00 0.00000e+00 1.72514e+02 232.520 4.25644e+01 52.520  0.9792 
1 1 1 20 3  7  o 12 2.25579e+02 5.09713e+00 2.92941e+02 114.430 -2.08278e+01 4.58499e+01  0.00000e+00 0.00000e+00 2.96978e+02 114.430 4.03690e+00 114.430 0.9900 
1 1 1 20 3  8  o 4  1.80698e+02 5.88282e+00 1.85233e+02 65.064  1.08405e+01  2.33155e+01  0.00000e+00 0.00000e+00 2.82403e+02 65.064  9.71698e+01 65.064  0.9804 
1 1 1 20 3  9  o 4  5.02979e+01 1.28645e+01 1.19037e+02 211.233 -3.45661e+00 -2.09609e+00 0.00000e+00 0.00000e+00 4.25166e+00 31.233  1.23288e+02 31.233  0.8651 
1 1 1 20 3  10 o 19 9.87815e+01 8.99729e+00 7.34945e+01 33.593  4.39160e+00  2.91699e+00  0.00000e+00 0.00000e+00 1.60654e+02 33.593  8.71595e+01 33.593  0.8993 
1 1 1 20 3  11 o 8  5.14521e+01 1.29911e+01 6.56945e+01 173.800 -2.23883e+00 2.43226e-01  0.00000e+00 0.00000e+00 3.39047e+01 173.800 3.17898e+01 353.800 0.7351 
1 1 1 20 3  12 o 18 1.84067e+02 6.05639e+00 8.35702e+01 299.055 5.73683e+00  -1.03260e+01 0.00000e+00 0.00000e+00 3.79683e+02 299.055 2.96112e+02 299.055 0.9567 
1 1 1 20 3  13 o 2  1.68075e+02 6.73608e+00 2.03502e+02 33.409  2.15765e+01  1.42317e+01  0.00000e+00 0.00000e+00 2.29546e+02 33.409  2.60436e+01 33.409  0.9805 
1 1 1 20 3  14 o 7  2.03521e+02 6.23415e+00 2.59004e+02 179.156 -3.97730e+01 5.85945e-01  0.00000e+00 0.00000e+00 2.68440e+02 179.156 9.43622e+00 179.156 0.9873 
1 1 1 20 3  15 o 7  7.29452e+01 1.18148e+01 1.67618e+02 146.463 -7.58938e+00 5.03034e+00  0.00000e+00 0.00000e+00 1.27814e+01 146.463 1.54836e+02 326.463 0.9434 
1 1 1 20 3  16 o 5  1.69520e+02 6.09725e+00 2.09962e+02 174.094 -2.90263e+01 3.00281e+00  0.00000e+00 0.00000e+00 2.26172e+02 174.094 1.62097e+01 174.094 0.9827 
1 1 1 20 3  17 o 3  9.12358e+01 9.37598e+00 9.03827e+01 199.225 -5.85937e+00 -2.04331e+00 0.00000e+00 0.00000e+00 1.27965e+02 199.225 3.75823e+01 199.225 0.9154 
1 1 1 20 3  18 o 8  4.00729e+01 1.13080e+01 4.56546e+01 72.927  3.85345e-01  1.25468e+00  0.00000e+00 0.00000e+00 1.14864e+01 72.927  3.41681e+01 252.927 0.5463 
1 1 1 20 3  19 o 19 3.26998e+01 1.04846e+01 8.17000e+01 104.175 -5.91496e-01 2.34187e+00  0.00000e+00 0.00000e+00 1.73172e+01 284.175 9.90172e+01 284.175 0.7555 
1 1 1 20 3  20 o 5  7.63933e+01 1.07211e+01 8.48729e+01 18.161  4.99216e+00  1.63755e+00  0.00000e+00 0.00000e+00 9.38039e+01 18.161  8.93099e+00 18.161  0.8990 
1 1 1 20 3  21 o 16 7.70467e+01 1.04973e+01 7.54555e+01 99.618  -7.82741e-01 4.61919e+00  0.00000e+00 0.00000e+00 1.01744e+02 99.618  2.62886e+01 99.618  0.8855 
1 1 1 20 3  22 o 12 1.60127e+02 5.80585e+00 2.16742e+02 329.542 3.26217e+01  -1.91834e+01 0.00000e+00 0.00000e+00 1.92849e+02 329.542 2.38932e+01 149.542 0.9867 
1 1 1 20 3  23 o 9  6.29709e+01 1.18043e+01 4.99691e+01 59.417  1.50350e+00  2.54405e+00  0.00000e+00 0.00000e+00 8.14513e+01 59.417  3.14822e+01 59.417  0.8066 
1 1 1 20 3  24 o 15 3.56750e+01 1.09742e+01 2.91523e+01 277.130 1.27984e-01  -1.02321e+00 0.00000e+00 0.00000e+00 1.29757e+01 277.130 1.61766e+01 97.130  0.4573 
1 1 1 20 3  25 o 18 3.26775e+01 1.04597e+01 3.58642e+01 91.947  -3.83288e-02 1.12749e+00  0.00000e+00 0.00000e+00 5.38956e+00 91.947  3.04747e+01 271.947 0.4900 
1 1 1 20 3  26 o 18 4.90146e+01 1.19582e+01 7.81816e+01 99.084  -6.43832e-01 4.02673e+00  0.00000e+00 0.00000e+00 3.10060e+01 99.084  4.71756e+01 279.084 0.8665 
1 1 1 20 3  27 o 1  5.88345e+01 1.15029e+01 5.84588e+01 176.216 -3.66451e+00 2.42355e-01  0.00000e+00 0.00000e+00 6.97665e+01 176.216 1.13077e+01 176.216 0.8496 
1 1 1 20 3  28 o 12 5.07529e+01 1.23503e+01 1.07523e+02 222.525 -4.40614e+00 -4.04097e+00 0.00000e+00 0.00000e+00 1.09309e+01 222.525 9.65920e+01 42.525  0.9120 
1 1 1 20 3  30 o 1  4.46495e+01 1.13011e+01 4.68576e+01 344.003 2.53762e+00  -7.27488e-01 0.00000e+00 0.00000e+00 4.17515e+01 344.003 5.10604e+00 164.003 0.7794 
1 1 1 20 3  31 o 17 4.92599e+01 1.15006e+01 4.28760e+01 32.629  2.26200e+00  1.44822e+00  0.00000e+00 0.00000e+00 5.51763e+01 32.629  1.23003e+01 32.629  0.7838 
1 1 1 20 3  32 o 1  1.14729e+02 7.14859e+00 1.23791e+02 167.956 -1.93060e+01 4.11928e+00  0.00000e+00 0.00000e+00 1.59325e+02 167.956 3.55340e+01 167.956 0.9743 
1 1 1 20 3  33 o 10 1.10674e+02 7.43235e+00 1.34266e+02 323.359 1.73434e+01  -1.28998e+01 0.00000e+00 0.00000e+00 1.38709e+02 323.359 4.44351e+00 323.359 0.9766 
1 1 1 20 3  34 o 12 7.55883e+01 1.04305e+01 8.54364e+01 62.381  4.07965e+00  7.79720e+00  0.00000e+00 0.00000e+00 9.37533e+01 62.381  8.31694e+00 62.381  0.9413 
1 1 1 20 3  35 f 0  1.17271e+02 7.58072e+00 1.02315e+02 278.513 2.96652e+00  -1.98180e+01 0.00000e+00 0.00000e+00 1.84690e+02 278.513 8.23746e+01 278.513 0.9747 
1 1 1 20 3  36 o 3  6.35927e+01 1.22866e+01 6.64809e+01 352.292 5.84881e+00  -7.91569e-01 0.00000e+00 0.00000e+00 7.85044e+01 352.292 1.20235e+01 352.292 0.9108 
1 1 1 20 3  37 o 9  6.26483e+01 1.08644e+01 8.50488e+01 150.812 -6.71654e+00 3.75196e+00  0.00000e+00 0.00000e+00 6.07318e+01 150.812 2.43170e+01 330.812 0.9325 
1 1 1 20 3  38 o 2  8.65557e+01 1.17789e+01 1.64102e+02 190.242 -2.17255e+01 -3.92535e+00 0.00000e+00 0.00000e+00 4.62485e+01 190.242 1.17853e+02 10.242  0.9771 
1 1 1 20 3  39 f 0  3.47465e+01 1.08636e+01 1.14742e+02 244.329 -2.75213e+00 -5.72582e+00 0.00000e+00 0.00000e+00 3.57114e+01 64.329  1.50454e+02 64.329  0.9175 
1 1 1 20 3  40 o 13 5.63882e+01 1.03229e+01 5.34850e+01 95.081  -4.33817e-01 4.87925e+00  0.00000e+00 0.00000e+00 7.06367e+01 95.081  1.71517e+01 95.081  0.8910 
1 1 1 20 3  41 o 9  8.74470e+01 8.89673e+00 8.45156e+01 224.727 -1.05823e+01 -1.04821e+01 0.00000e+00 0.00000e+00 1.23416e+02 224.727 3.89001e+01 224.727 0.9658 
1 1 1 20 3  42 o 5  6.52716e+01 1.13305e+01 7.43329e+01 113.619 -3.61271e+00 8.26156e+00  0.00000e+00 0.00000e+00 7.66284e+01 113.619 2.29551e+00 113.619 0.9428 
1 1 1 20 3  43 o 1  1.09881e+02 7.40188e+00 1.13073e+02 104.886 -7.60038e+00 2.85926e+01  0.00000e+00 0.00000e+00 1.50914e+02 104.886 3.78408e+01 104.886 0.9830 
1 1 1 20 3  44 o 8  5.77715e+01 1.21902e+01 7.64084e+01 217.886 -6.46063e+00 -5.02701e+00 0.00000e+00 0.00000e+00 5.53699e+01 217.886 2.10385e+01 37.886  0.9368 
1 1 1 20 3  45 o 14 7.12999e+01 1.12123e+01 7.97877e+01 347.405 1.20608e+01  -2.69472e+00 0.00000e+00 0.00000e+00 8.60102e+01 347.405 6.22248e+00 347.405 0.9586 
1 1 1 20 3  46 o 12 5.02391e+01 1.21645e+01 3.81571e+01 79.724  6.86591e-01  3.78715e+00  0.00000e+00 0.00000e+00 6.59254e+01 79.724  2.77682e+01 79.724  0.8574 
1 1 1 20 4  0  o 13 1.45321e+02 1.11345e+01 1.99720e+02 0.000   1.07095e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.85339e+02 0.000   1.43812e+01 180.000 1.0000 
1 1 1 20 4  1  o 5  1.33364e+02 8.45180e+00 1.26850e+02 99.042  -1.94346e+00 1.22132e+01  0.00000e+00 0.00000e+00 2.11911e+02 99.042  8.50616e+01 99.042  0.9587 
1 1 1 20 4  2  o 19 2.04156e+02 6.03399e+00 1.96229e+02 206.462 -2.71127e+01 -1.34953e+01 0.00000e+00 0.00000e+00 3.35630e+02 206.462 1.39402e+02 206.462 0.9833 
1 1 1 20 4  3  o 17 1.12677e+02 9.21264e+00 1.00625e+02 248.803 -2.95147e+00 -7.61045e+00 0.00000e+00 0.00000e+00 1.78894e+02 248.803 7.82690e+01 248.803 0.9366 
1 1 1 20 4  4  o 18 1.39586e+02 7.64920e+00 2.38259e+02 71.021  7.97072e+00  2.31767e+01  0.00000e+00 0.00000e+00 1.23729e+02 71.021  1.14531e+02 251.021 0.9794 
1 1 1 20 4  5  o 3  1.05126e+02 8.89515e+00 7.71358e+01 97.093  -7.36366e-01 5.91742e+00  0.00000e+00 0.00000e+00 1.76572e+02 97.093  9.94359e+01 97.093  0.9118 
1 1 1 20 4  6  o 12 1.16083e+02 8.22672e+00 1.71211e+02 34.992  1.20695e+01  8.44856e+00  0.00000e+00 0.00000e+00 1.25288e+02 34.992  4.59228e+01 214.992 0.9654 
1 1 1 20 4  7  f 0  1.02715e+02 8.81806e+00 1.10466e+02 4.631   8.27049e+00  6.69876e-01  0.00000e+00 0.00000e+00 1.44193e+02 4.631   3.37274e+01 4.631   0.9377 
1 1 1 20 4  8  o 19 3.10601e+02 4.48102e+00 3.92998e+02 239.578 -4.76505e+01 -8.11484e+01 0.00000e+00 0.00000e+00 4.23367e+02 239.578 3.03693e+01 239.578 0.9947 
1 1 1 20 4  9  o 9  1.19389e+02 7.34346e+00 1.30893e+02 134.755 -8.15884e+00 8.22904e+00  0.00000e+00 0.00000e+00 1.70428e+02 134.755 3.95356e+01 134.755 0.9558 
1 1 1 20 4  10 o 9  1.09858e+02 8.02099e+00 1.84163e+02 86.586  9.01957e-01  1.51174e+01  0.00000e+00 0.00000e+00 9.59381e+01 86.586  8.82244e+01 266.586 0.9664 
1 1 1 20 4  11 o 5  4.24005e+01 1.20979e+01 4.41919e+01 180.250 -1.29038e+00 -5.63252e-03 0.00000e+00 0.00000e+00 1.61490e+01 180.250 2.80430e+01 0.250   0.5399 
1 1 1 20 4  12 f 0  6.87443e+01 1.23946e+01 1.47253e+02 194.569 -6.66308e+00 -1.73181e+00 0.00000e+00 0.00000e+00 2.00539e+01 194.569 1.27199e+02 14.569  0.9242 
1 1 1 20 4  13 o 11 6.23846e+01 1.33713e+01 4.63586e+01 282.718 4.58692e-01  -2.03240e+00 0.00000e+00 0.00000e+00 7.03216e+01 282.718 2.39630e+01 282.718 0.7110 
1 1 1 20 4  14 o 13 5.59674e+01 1.32506e+01 9.51023e+01 211.441 -3.25941e+00 -1.99277e+00 0.00000e+00 0.00000e+00 3.08074e+01 211.441 6.42949e+01 31.441  0.8562 
1 1 1 20 4  15 o 18 1.04376e+02 8.99893e+00 9.22621e+01 174.514 -7.31762e+00 7.02844e-01  0.00000e+00 0.00000e+00 1.62259e+02 174.514 6.99968e+01 174.514 0.9293 
1 1 1 20 4  16 o 9  1.01169e+02 9.59735e+00 1.22729e+02 311.821 6.19752e+00  -6.92649e+00 0.00000e+00 0.00000e+00 1.27699e+02 311.821 4.96932e+00 311.821 0.9446 
1 1 1 20 4  17 f 0  3.50037e+01 1.09912e+01 5.38530e+01 266.596 -1.00757e-01 -1.69393e+00 0.00000e+00 0.00000e+00 4.87978e+00 266.596 4.89732e+01 86.596  0.6412 
1 1 1 20 4  18 o 13 9.89203e+01 9.03685e+00 1.20348e+02 21.160  1.03840e+01  4.01941e+00  0.00000e+00 0.00000e+00 1.26231e+02 21.160  5.88376e+00 21.160  0.9540 
1 1 1 20 4  19 o 19 6.24455e+01 1.25356e+01 7.36518e+01 272.442 1.52096e-01  -3.56596e+00 0.00000e+00 0.00000e+00 6.39454e+01 272.442 9.70639e+00 92.442  0.8446 
1 1 1 20 4  20 o 9  1.06470e+02 8.03946e+00 9.99931e+01 309.518 5.73940e+00  -6.95799e+00 0.00000e+00 0.00000e+00 1.61441e+02 309.518 6.14476e+01 309.518 0.9428 
1 1 1 20 4  21 o 3  1.18890e+02 7.32623e+00 1.73753e+02 17.437  2.09366e+01  6.57584e+00  0.00000e+00 0.00000e+00 1.28210e+02 17.437  4.55426e+01 197.437 0.9769 
1 1 1 20 4  22 o 1  3.33923e+01 1.06722e+01 2.65988e+01 255.571 -2.14889e-01 -8.35157e-01 0.00000e+00 0.00000e+00 7.67251e+00 255.571 1.89263e+01 75.571  0.3955 
1 1 1 20 4  23 o 7  7.21897e+01 1.06825e+01 1.22142e+02 44.544  6.29629e+00  6.19677e+00  0.00000e+00 0.00000e+00 5.39018e+01 44.544  6.82404e+01 224.544 0.9416 
1 1 1 20 4  24 o 1  3.66035e+01 1.10998e+01 1.13934e+02 26.408  3.54480e+00  1.76027e+00  0.00000e+00 0.00000e+00 3.23922e+01 206.408 1.46326e+02 206.408 0.8619 
1 1 1 20 4  25 o 18 6.69279e+01 1.12722e+01 1.34688e+02 248.602 -3.58852e+00 -9.15766e+00 0.00000e+00 0.00000e+00 2.89091e+01 248.602 1.05779e+02 68.602  0.9477 
1 1 1 20 4  26 o 2  1.51802e+02 5.83091e+00 1.64975e+02 245.412 -1.29148e+01 -2.82236e+01 0.00000e+00 0.00000e+00 2.19353e+02 245.412 5.43782e+01 245.412 0.9838 
1 1 1 20 4  27 o 2  7.44125e+01 1.07674e+01 7.51622e+01 70.737  2.13904e+00  6.12080e+00  0.00000e+00 0.00000e+00 1.00483e+02 70.737  2.53204e+01 70.737  0.9193 
1 1 1 20 4  29 o 9  1.42777e+02 6.12721e+00 1.25645e+02 43.125  1.94293e+01  1.81973e+01  0.00000e+00 0.00000e+00 2.32276e+02 43.125  1.06631e+02 43.125  0.9810 
1 1 1 20 4  30 o 7  4.75953e+01 1.20251e+01 7.69181e+01 94.018  -3.21268e-01 4.57362e+00  0.00000e+00 0.00000e+00 3.01729e+01 94.018  4.67452e+01 274.018 0.8828 
1 1 1 20 4  31 o 5  6.33987e+01 1.17734e+01 7.09557e+01 162.034 -5.17978e+00 1.67960e+00  0.00000e+00 0.00000e+00 7.45430e+01 162.034 3.58730e+00 162.034 0.9028 
1 1 1 20 4  32 o 6  1.55034e+02 5.92773e+00 1.61844e+02 7.675   3.52640e+01  4.75221e+00  0.00000e+00 0.00000e+00 2.25638e+02 7.675   6.37939e+01 7.675   0.9858 
1 1 1 20 4  33 o 6  1.34163e+02 6.53684e+00 1.45953e+02 232.754 -1.75009e+01 -2.30183e+01 0.00000e+00 0.00000e+00 1.87312e+02 232.754 4.13597e+01 232.754 0.9826 
1 1 1 20 4  34 o 18 6.34755e+01 1.25085e+01 4.15490e+01 20.175  3.09688e+00  1.13787e+00  0.00000e+00 0.00000e+00 9.12427e+01 20.175  4.96937e+01 20.175  0.8299 
1 1 1 20 4  35 o 8  3.13110e+01 1.01712e+01 3.32612e+01 229.347 -1.02633e+00 -1.19519e+00 0.00000e+00 0.00000e+00 1.50753e+01 229.347 1.81858e+01 49.347  0.6142 
1 1 1 20 4  36 o 18 6.93855e+01 1.14773e+01 1.07609e+02 187.921 -1.04885e+01 -1.45930e+00 0.00000e+00 0.00000e+00 5.78230e+01 187.921 4.97858e+01 7.921   0.9515 
1 1 1 20 4  37 o 12 3.29883e+01 1.03989e+01 2.71474e+01 169.325 -1.46378e+00 2.75910e-01  0.00000e+00 0.00000e+00 2.17588e+01 169.325 5.38868e+00 349.325 0.5935 
1 1 1 20 4  38 o 2  8.71736e+01 8.60465e+00 9.14749e+01 275.666 1.38488e+00  -1.39588e+01 0.00000e+00 0.00000e+00 1.17677e+02 275.666 2.62017e+01 275.666 0.9637 
1 1 1 20 4  39 f 0  6.19214e+01 1.20343e+01 1.09120e+02 260.815 -1.63793e+00 -1.01292e+01 0.00000e+00 0.00000e+00 3.68435e+01 260.815 7.22769e+01 80.815  0.9499 
1 1 1 20 4  40 o 4  4.17660e+01 1.17399e+01 3.68726e+01 292.802 9.83289e-01  -2.33897e+00 0.00000e+00 0.00000e+00 4.25545e+01 292.802 5.68195e+00 292.802 0.7690 
1 1 1 20 4  41 o 5  5.57350e+01 1.16655e+01 7.59850e+01 42.392  5.49181e+00  5.01331e+00  0.00000e+00 0.00000e+00 5.17667e+01 42.392  2.42183e+01 222.392 0.9301 
1 1 1 20 4  42 o 13 7.61835e+01 1.01690e+01 5.65322e+01 34.666  6.93937e+00  4.79903e+00  0.00000e+00 0.00000e+00 1.19078e+02 34.666  6.25462e+01 34.666  0.9387 
1 1 1 20 4  43 o 1  9.74431e+01 8.45402e+00 1.15710e+02 67.768  9.66428e+00  2.36434e+01  0.00000e+00 0.00000e+00 1.17979e+02 67.768  2.26882e+00 67.768  0.9802 
1 1 1 20 4  44 o 10 9.01517e+01 8.97218e+00 9.58228e+01 144.095 -1.66855e+01 1.20806e+01  0.00000e+00 0.00000e+00 1.18513e+02 144.095 2.26907e+01 144.095 0.9754 
1 1 1 20 4  45 o 15 5.93151e+01 1.22371e+01 6.41995e+01 100.877 -1.46103e+00 7.60336e+00  0.00000e+00 0.00000e+00 7.01715e+01 100.877 5.97199e+00 100.877 0.9330 
1 1 1 20 4  46 o 12 3.41299e+01 1.07073e+01 6.91848e+01 177.118 -5.67484e+00 2.85728e-01  0.00000e+00 0.00000e+00 5.69380e+00 177.118 6.34910e+01 357.118 0.9071 
1 1 1 20 5  0  o 17 9.65241e+01 1.22397e+01 1.84567e+02 180.000 -6.53410e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.15218e+01 180.000 1.13045e+02 0.000   1.0000 
1 1 1 20 5  1  o 10 6.83914e+01 1.19616e+01 1.08534e+02 311.410 3.37657e+00  -3.82860e+00 0.00000e+00 0.00000e+00 5.39948e+01 311.410 5.45392e+01 131.410 0.8958 
1 1 1 20 5  2  o 10 6.22480e+01 1.23587e+01 9.11929e+01 336.664 3.55045e+00  -1.53171e+00 0.00000e+00 0.00000e+00 5.05149e+01 336.664 4.06780e+01 156.664 0.8582 
1 1 1 20 5  3  o 6  5.10798e+01 1.33459e+01 7.07393e+01 77.359  5.25903e-01  2.34484e+00  0.00000e+00 0.00000e+00 3.14077e+01 77.359  3.93316e+01 257.359 0.7540 
1 1 1 20 5  4  o 1  2.51063e+02 5.16521e+00 2.62881e+02 326.253 4.20339e+01  -2.80828e+01 0.00000e+00 0.00000e+00 3.96142e+02 326.253 1.33261e+02 326.253 0.9901 
1 1 1 20 5  5  o 10 1.68652e+02 6.26164e+00 1.41148e+02 64.642  7.88973e+00  1.66471e+01  0.00000e+00 0.00000e+00 2.93518e+02 64.642  1.52369e+02 64.642  0.9725 
1 1 1 20 5  6  o 16 1.79260e+02 5.92481e+00 2.00313e+02 179.293 -2.78129e+01 3.43242e-01  0.00000e+00 0.00000e+00 2.65932e+02 179.293 6.56187e+01 179.293 0.9819 
1 1 1 20 5  7  o 11 8.12295e+01 1.08693e+01 1.02052e+02 217.016 -4.70817e+00 -3.54987e+00 0.00000e+00 0.00000e+00 9.38038e+01 217.016 8.24845e+00 37.016  0.9107 
1 1 1 20 5  8  o 15 3.05115e+02 4.76759e+00 3.64047e+02 110.054 -2.96341e+01 8.11787e+01  0.00000e+00 0.00000e+00 4.38543e+02 110.054 7.44964e+01 110.054 0.9942 
1 1 1 20 5  9  o 16 1.39944e+02 6.71817e+00 1.64243e+02 298.211 8.22209e+00  -1.53270e+01 0.00000e+00 0.00000e+00 1.94952e+02 298.211 3.07093e+01 298.211 0.9708 
1 1 1 20 5  10 o 1  1.00603e+02 8.70441e+00 1.22987e+02 347.405 9.69791e+00  -2.16689e+00 0.00000e+00 0.00000e+00 1.29026e+02 347.405 6.03855e+00 347.405 0.9483 
1 1 1 20 5  11 o 14 8.12703e+01 1.02898e+01 1.00465e+02 309.986 4.06018e+00  -4.84108e+00 0.00000e+00 0.00000e+00 9.62365e+01 309.986 4.22897e+00 129.986 0.9170 
1 1 1 20 5  12 o 10 7.83263e+01 1.07906e+01 8.94778e+01 250.056 -1.81896e+00 -5.01287e+00 0.00000e+00 0.00000e+00 9.65089e+01 250.056 7.03106e+00 250.056 0.9006 
1 1 1 20 5  13 o 6  5.83069e+01 1.19404e+01 9.97362e+01 141.376 -3.27304e+00 2.61507e+00  0.00000e+00 0.00000e+00 3.39370e+01 141.376 6.57992e+01 321.376 0.8704 
1 1 1 20 5  14 o 15 1.07892e+02 8.94317e+00 1.86940e+02 207.564 -1.35918e+01 -7.09469e+00 0.00000e+00 0.00000e+00 8.74808e+01 207.564 9.94597e+01 27.564  0.9668 
1 1 1 20 5  15 o 11 1.66937e+02 6.24764e+00 2.26810e+02 322.365 2.35667e+01  -1.81714e+01 0.00000e+00 0.00000e+00 2.04381e+02 322.365 2.24288e+01 142.366 0.9831 
1 1 1 20 5  16 o 6  1.06229e+02 9.00152e+00 1.28654e+02 307.707 7.86577e+00  -1.01746e+01 0.00000e+00 0.00000e+00 1.39023e+02 307.707 1.03696e+01 307.707 0.9603 
1 1 1 20 5  17 o 14 4.77985e+01 1.26481e+01 1.48812e+01 46.839  4.14062e-01  4.41537e-01  0.00000e+00 0.00000e+00 2.13882e+01 46.839  6.50699e+00 46.839  0.2896 
1 1 1 20 5  18 o 12 8.00387e+01 1.16962e+01 6.66068e+01 357.299 4.20775e+00  -1.98494e-01 0.00000e+00 0.00000e+00 1.15831e+02 357.299 4.92242e+01 357.299 0.8712 
1 1 1 20 5  19 o 9  1.21683e+02 7.21745e+00 1.25931e+02 111.001 -5.89749e+00 1.53628e+01  0.00000e+00 0.00000e+00 1.82106e+02 111.001 5.61750e+01 111.001 0.9691 
1 1 1 20 5  20 o 19 1.39424e+02 6.84538e+00 1.45078e+02 45.889  1.50772e+01  1.55523e+01  0.00000e+00 0.00000e+00 2.10007e+02 45.889  6.49291e+01 45.889  0.9766 
1 1 1 20 5  21 f 0  1.00645e+02 8.54963e+00 8.60007e+01 12.632  9.03040e+00  2.02376e+00  0.00000e+00 0.00000e+00 1.61402e+02 12.632  7.54012e+01 12.632  0.9443 
1 1 1 20 5  22 o 11 1.55316e+02 6.10335e+00 1.91489e+02 140.269 -2.54444e+01 2.11479e+01  0.00000e+00 0.00000e+00 2.05922e+02 140.269 1.44332e+01 140.269 0.9848 
1 1 1 20 5  23 o 12 1.00319e+02 8.51032e+00 1.44420e+02 214.623 -1.20660e+01 -8.33081e+00 0.00000e+00 0.00000e+00 1.06699e+02 214.623 3.77211e+01 34.623  0.9653 
1 1 1 20 5  24 f 0  1.24897e+02 6.75433e+00 1.11841e+02 192.351 -1.68275e+01 -3.68471e+00 0.00000e+00 0.00000e+00 2.01866e+02 192.351 9.00241e+01 192.351 0.9705 
1 1 1 20 5  25 o 9  7.44956e+01 1.15080e+01 7.71477e+01 28.181  5.43022e+00  2.90933e+00  0.00000e+00 0.00000e+00 9.88456e+01 28.181  2.16979e+01 28.181  0.9148 
1 1 1 20 5  26 o 11 7.22896e+01 1.12176e+01 1.10089e+02 182.631 -9.09218e+00 -4.17830e-01 0.00000e+00 0.00000e+00 6.56392e+01 182.631 4.44501e+01 2.631   0.9434 
1 1 1 20 5  28 o 4  5.82066e+01 1.13013e+01 1.22455e+02 150.226 -7.85417e+00 4.49347e+00  0.00000e+00 0.00000e+00 1.83298e+01 150.226 1.04126e+02 330.225 0.9430 
1 1 1 20 5  29 o 16 5.60722e+01 1.19106e+01 5.73592e+01 108.146 -1.26252e+00 3.85229e+00  0.00000e+00 0.00000e+00 6.68196e+01 108.146 9.46040e+00 108.146 0.8656 
1 1 1 20 5  30 o 4  1.03064e+02 7.63655e+00 1.19167e+02 42.637  1.25214e+01  1.15289e+01  0.00000e+00 0.00000e+00 1.36013e+02 42.637  1.68460e+01 42.637  0.9702 
1 1 1 20 5  31 o 2  8.08615e+01 1.03605e+01 1.14614e+02 140.833 -9.04889e+00 7.37150e+00  0.00000e+00 0.00000e+00 8.21838e+01 140.833 3.24307e+01 320.833 0.9562 
1 1 1 20 5  32 o 17 7.16106e+01 1.14706e+01 3.55842e+01 349.088 3.17977e+00  -6.13002e-01 0.00000e+00 0.00000e+00 1.14598e+02 349.088 7.90140e+01 349.088 0.8262 
1 1 1 20 5  33 o 18 6.15483e+01 1.24269e+01 6.30644e+01 359.823 4.88772e+00  -1.50896e-02 0.00000e+00 0.00000e+00 7.57098e+01 359.823 1.26454e+01 359.823 0.8907 
1 1 1 20 5  34 o 11 1.08331e+02 8.18566e+00 1.15633e+02 338.642 1.90523e+01  -7.45039e+00 0.00000e+00 0.00000e+00 1.51031e+02 338.642 3.53982e+01 338.642 0.9752 
1 1 1 20 5  35 o 19 8.59537e+01 9.11785e+00 8.49451e+01 140.038 -8.84218e+00 7.40953e+00  0.00000e+00 0.00000e+00 1.21764e+02 140.038 3.68186e+01 140.038 0.9556 
1 1 1 20 5  36 o 14 3.87862e+01 1.14623e+01 5.64651e+01 357.725 3.07885e+00  -1.22333e-01 0.00000e+00 0.00000e+00 2.29217e+01 357.725 3.35434e+01 177.725 0.8158 
1 1 1 20 5  37 f 0  9.90574e+01 9.05193e+00 1.59421e+02 189.054 -2.71911e+01 -4.33309e+00 0.00000e+00 0.00000e+00 8.37777e+01 189.054 7.56433e+01 9.054   0.9817 
1 1 1 20 5  38 o 12 3.65165e+01 1.02953e+01 1.77741e+01 242.866 -4.87590e-01 -9.51461e-01 0.00000e+00 0.00000e+00 2.50424e+01 242.866 7.26827e+00 242.866 0.4703 
1 1 1 20 5  39 o 14 4.84808e+01 1.23003e+01 4.50855e+01 270.687 4.22012e-02  -3.52038e+00 0.00000e+00 0.00000e+00 5.63600e+01 270.687 1.12745e+01 270.687 0.8422 
1 1 1 20 5  40 o 18 4.45717e+01 1.11427e+01 6.60803e+01 200.579 -4.99501e+00 -1.87541e+00 0.00000e+00 0.00000e+00 3.33189e+01 200.579 3.27614e+01 20.579  0.9006 
1 1 1 20 5  41 o 12 6.17267e+01 1.18230e+01 8.20801e+01 16.293  8.80301e+00  2.57297e+00  0.00000e+00 0.00000e+00 6.16725e+01 16.293  2.04075e+01 196.293 0.9438 
1 1 1 20 5  42 o 10 3.59238e+01 1.06459e+01 2.96707e+01 186.148 -2.15595e+00 -2.32243e-01 0.00000e+00 0.00000e+00 3.42408e+01 186.148 4.57009e+00 186.148 0.7236 
1 1 1 20 5  43 o 9  5.89900e+01 1.23270e+01 1.06603e+02 330.344 1.08387e+01  -6.17129e+00 0.00000e+00 0.00000e+00 3.19866e+01 330.344 7.46160e+01 150.344 0.9590 
1 1 1 20 5  44 o 3  5.17866e+01 1.22593e+01 4.77553e+01 216.790 -4.03976e+00 -3.02103e+00 0.00000e+00 0.00000e+00 6.52862e+01 216.790 1.75309e+01 216.790 0.8944 
1 1 1 20 5  45 o 14 6.90392e+01 1.19316e+01 6.62981e+01 19.891  8.76286e+00  3.17055e+00  0.00000e+00 0.00000e+00 9.22705e+01 19.891  2.59724e+01 19.891  0.9447 
1 1 1 20 6  0  o 18 2.02433e+02 6.97255e+00 1.57380e+02 180.000 -1.23970e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.80540e+02 180.000 2.23159e+02 180.000 1.0000 
1 1 1 20 6  1  o 16 1.77599e+02 5.25167e+00 2.46116e+02 177.659 -3.38637e+01 1.38432e+00  0.00000e+00 0.00000e+00 2.18776e+02 177.659 2.73400e+01 357.659 0.9851 
1 1 1 20 6  2  o 17 5.09702e+01 1.17127e+01 6.12385e+01 329.466 1.87165e+00  -1.10397e+00 0.00000e+00 0.00000e+00 3.68353e+01 329.466 2.44032e+01 149.466 0.7242 
1 1 1 20 6  3  o 6  8.75575e+01 9.47059e+00 1.49863e+02 283.172 2.17420e+00  -9.29031e+00 0.00000e+00 0.00000e+00 7.01626e+01 283.172 7.97006e+01 103.172 0.9460 
1 1 1 20 6  4  o 11 1.31607e+02 6.62662e+00 2.50481e+02 290.967 8.95572e+00  -2.33710e+01 0.00000e+00 0.00000e+00 9.19396e+01 290.967 1.58541e+02 110.967 0.9798 
1 1 1 20 6  5  o 12 4.41285e+01 1.19392e+01 3.65014e+01 3.882   1.21014e+00  8.21177e-02  0.00000e+00 0.00000e+00 2.40301e+01 3.882   1.24713e+01 183.882 0.5168 
1 1 1 20 6  6  o 17 1.54763e+02 6.06697e+00 1.81879e+02 150.909 -2.06435e+01 1.14857e+01  0.00000e+00 0.00000e+00 2.19944e+02 150.909 3.80652e+01 150.909 0.9786 
1 1 1 20 6  7  o 15 4.39383e+01 1.17120e+01 6.64860e+01 278.063 3.08287e-01  -2.17609e+00 0.00000e+00 0.00000e+00 1.83009e+01 278.063 4.81851e+01 98.063  0.7277 
1 1 1 20 6  8  o 5  1.25477e+02 6.98143e+00 1.39820e+02 78.844  2.78880e+00  1.41409e+01  0.00000e+00 0.00000e+00 1.80937e+02 78.844  4.11173e+01 78.844  0.9647 
1 1 1 20 6  9  o 16 5.17008e+01 1.21289e+01 8.65131e+01 336.878 3.03922e+00  -1.29771e+00 0.00000e+00 0.00000e+00 2.71458e+01 336.878 5.93672e+01 156.878 0.8302 
1 1 1 20 6  10 o 17 1.20901e+02 6.87914e+00 1.65991e+02 93.629  -1.00928e+00 1.59131e+01  0.00000e+00 0.00000e+00 1.43694e+02 93.629  2.22975e+01 273.629 0.9681 
1 1 1 20 6  11 o 15 9.99976e+01 8.08594e+00 1.14120e+02 219.829 -6.79295e+00 -5.66542e+00 0.00000e+00 0.00000e+00 1.34794e+02 219.829 2.06733e+01 219.829 0.9417 
1 1 1 20 6  12 o 16 1.80404e+02 6.05749e+00 2.55154e+02 194.895 -3.52869e+01 -9.38554e+00 0.00000e+00 0.00000e+00 2.14691e+02 194.895 4.04631e+01 14.895  0.9862 
1 1 1 20 6  13 o 8  4.01548e+01 1.14741e+01 8.00796e+01 6.095   2.85077e+00  3.04426e-01  0.00000e+00 0.00000e+00 4.62491e+00 6.095   7.54547e+01 186.095 0.7996 
1 1 1 20 6  14 o 19 3.62162e+01 1.09519e+01 6.96154e+01 208.058 -1.99835e+00 -1.06512e+00 0.00000e+00 0.00000e+00 6.90717e-01 208.058 6.89247e+01 28.058  0.7368 
1 1 1 20 6  15 o 12 9.98206e+01 7.62660e+00 1.71314e+02 15.490  1.43348e+01  3.97281e+00  0.00000e+00 0.00000e+00 8.23847e+01 15.490  8.89296e+01 195.490 0.9658 
1 1 1 20 6  16 o 18 3.44047e+01 1.08097e+01 2.33231e+01 128.718 -4.05901e-01 5.06329e-01  0.00000e+00 0.00000e+00 4.57170e+00 128.718 1.87514e+01 308.717 0.3085 
1 1 1 20 6  17 o 15 1.16000e+02 8.46746e+00 1.37965e+02 139.277 -1.27228e+01 1.09522e+01  0.00000e+00 0.00000e+00 1.57249e+02 139.277 1.92839e+01 139.277 0.9697 
1 1 1 20 6  18 o 5  5.78793e+01 1.34762e+01 7.95452e+01 304.759 2.37388e+00  -3.42083e+00 0.00000e+00 0.00000e+00 5.23344e+01 304.759 2.72108e+01 124.759 0.8695 
1 1 1 20 6  19 o 10 6.47560e+01 1.27484e+01 9.49532e+01 278.946 9.13213e-01  -5.80123e+00 0.00000e+00 0.00000e+00 5.92713e+01 278.946 3.56819e+01 98.946  0.9103 
1 1 1 20 6  20 o 10 9.52585e+01 1.06054e+01 1.25679e+02 29.725  1.04947e+01  5.99210e+00  0.00000e+00 0.00000e+00 1.12591e+02 29.725  1.30881e+01 209.725 0.9577 
1 1 1 20 6  21 o 8  5.69985e+01 1.21035e+01 1.06978e+02 82.271  7.61425e-01  5.60990e+00  0.00000e+00 0.00000e+00 2.77715e+01 82.271  7.92064e+01 262.271 0.9068 
1 1 1 20 6  22 o 13 8.17293e+01 9.77034e+00 1.30493e+02 310.165 6.73620e+00  -7.98110e+00 0.00000e+00 0.00000e+00 7.17427e+01 310.165 5.87499e+01 130.165 0.9508 
1 1 1 20 6  23 o 8  8.36476e+01 1.00506e+01 9.04140e+01 281.766 1.74318e+00  -8.36877e+00 0.00000e+00 0.00000e+00 1.13712e+02 281.766 2.32978e+01 281.766 0.9395 
1 1 1 20 6  24 o 10 6.43145e+01 1.20019e+01 9.46707e+01 105.728 -1.85367e+00 6.58236e+00  0.00000e+00 0.00000e+00 5.93133e+01 105.728 3.53573e+01 285.728 0.9237 
1 1 1 20 6  27 o 14 1.39595e+02 6.45956e+00 1.50041e+02 72.933  9.07224e+00  2.95496e+01  0.00000e+00 0.00000e+00 2.03553e+02 72.933  5.35119e+01 72.933  0.9837 
1 1 1 20 6  28 o 9  4.60759e+01 1.12328e+01 8.09436e+01 269.756 -2.05208e-02 -4.82129e+00 0.00000e+00 0.00000e+00 2.42907e+01 269.756 5.66529e+01 89.756  0.8891 
1 1 1 20 6  29 o 1  3.89588e+01 1.15256e+01 7.61281e+01 177.110 -3.62732e+00 1.83125e-01  0.00000e+00 0.00000e+00 8.50354e+00 177.110 6.76245e+01 357.110 0.8477 
1 1 1 20 6  30 o 18 4.26621e+01 1.19120e+01 8.29068e+01 27.976  3.95264e+00  2.09950e+00  0.00000e+00 0.00000e+00 1.30128e+01 27.976  6.98940e+01 207.976 0.8796 
1 1 1 20 6  31 o 10 6.76580e+01 1.16540e+01 8.39681e+01 162.218 -7.11253e+00 2.28118e+00  0.00000e+00 0.00000e+00 7.65166e+01 162.218 7.45153e+00 342.217 0.9304 
1 1 1 20 6  32 o 17 4.40310e+01 1.14675e+01 4.59161e+01 314.268 1.84666e+00  -1.89448e+00 0.00000e+00 0.00000e+00 4.13964e+01 314.268 4.51976e+00 134.268 0.7799 
1 1 1 20 6  33 o 8  4.42512e+01 1.19634e+01 5.31250e+01 85.681  2.50238e-01  3.31358e+00  0.00000e+00 0.00000e+00 4.01390e+01 85.681  1.29860e+01 265.681 0.8313 
1 1 1 20 6  34 o 4  1.09201e+02 7.85041e+00 1.08460e+02 203.098 -1.80318e+01 -7.69033e+00 0.00000e+00 0.00000e+00 1.60467e+02 203.098 5.20075e+01 203.098 0.9742 
1 1 1 20 6  35 o 9  3.64673e+01 1.09711e+01 3.06523e+01 209.396 -1.40070e+00 -7.89122e-01 0.00000e+00 0.00000e+00 2.64870e+01 209.396 4.16537e+00 29.396  0.6216 
1 1 1 20 6  36 o 1  9.65278e+01 8.22971e+00 1.11243e+02 119.705 -9.60657e+00 1.68385e+01  0.00000e+00 0.00000e+00 1.24970e+02 119.705 1.37261e+01 119.705 0.9739 
1 1 1 20 6  37 o 2  5.00558e+01 1.24404e+01 7.18966e+01 295.277 2.30633e+00  -4.88409e+00 0.00000e+00 0.00000e+00 4.11906e+01 295.277 3.07060e+01 115.277 0.9019 
1 1 1 20 6  38 f 0  1.69882e+02 6.66311e+00 1.89881e+02 4.047   6.62297e+01  4.68628e+00  0.00000e+00 0.00000e+00 2.31073e+02 4.047   4.11923e+01 4.047   0.9924 
1 1 1 20 6  39 o 8  4.08834e+01 1.18725e+01 5.08136e+01 358.019 3.63462e+00  -1.25738e-01 0.00000e+00 0.00000e+00 3.54553e+01 358.019 1.53583e+01 178.019 0.8479 
1 1 1 20 6  40 o 18 6.44136e+01 1.18753e+01 6.28222e+01 259.268 -1.36431e+00 -7.19828e+00 0.00000e+00 0.00000e+00 8.55859e+01 259.268 2.27636e+01 259.268 0.9290 
1 1 1 20 6  41 o 9  3.06769e+01 9.96768e+00 3.94280e+01 8.260   2.53322e+00  3.67762e-01  0.00000e+00 0.00000e+00 1.90515e+01 8.260   2.03765e+01 188.260 0.7713 
1 1 1 20 6  42 o 3  5.62802e+01 1.22437e+01 7.83626e+01 112.519 -3.13222e+00 7.55466e+00  0.00000e+00 0.00000e+00 5.14587e+01 112.519 2.69039e+01 292.519 0.9367 
1 1 1 20 6  43 o 6  3.67551e+01 1.08641e+01 3.75122e+01 109.807 -1.03994e+00 2.88739e+00  0.00000e+00 0.00000e+00 3.59811e+01 109.807 1.53117e+00 289.807 0.8150 
1 1 1 20 6  44 o 2  4.25022e+01 1.17467e+01 2.78070e+01 32.075  2.06851e+00  1.29630e+00  0.00000e+00 0.00000e+00 5.09878e+01 32.075  2.31808e+01 32.075  0.7584 
1 1 1 20 6  45 o 8  4.00583e+01 1.32941e+01 5.52936e+01 344.680 4.34052e+00  -1.18909e+00 0.00000e+00 0.00000e+00 3.05769e+01 344.680 2.47167e+01 164.680 0.8803 
1 1 1 20 7  0  o 1  3.24906e+02 6.00258e+00 4.38703e+02 180.000 -6.05030e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.26258e+02 180.000 1.24453e+01 0.000   1.0000 
1 1 1 20 7  1  o 17 1.94296e+02 4.97249e+00 2.45894e+02 160.468 -3.69848e+01 1.31204e+01  0.00000e+00 0.00000e+00 2.64702e+02 160.468 1.88080e+01 160.468 0.9872 
1 1 1 20 7  2  o 16 1.38096e+02 6.12072e+00 2.19064e+02 307.104 1.47714e+01  -1.95285e+01 0.00000e+00 0.00000e+00 1.40924e+02 307.104 7.81399e+01 127.104 0.9794 
1 1 1 20 7  3  o 7  4.40249e+01 1.17601e+01 2.19530e+01 253.345 -2.01976e-01 -6.75141e-01 0.00000e+00 0.00000e+00 1.69605e+01 253.345 4.99253e+00 73.345  0.3321 
1 1 1 20 7  4  o 15 1.00539e+02 7.76176e+00 1.88835e+02 238.430 -7.82550e+00 -1.27353e+01 0.00000e+00 0.00000e+00 6.95261e+01 238.430 1.19309e+02 58.430  0.9659 
1 1 1 20 7  5  o 4  4.32783e+01 1.16963e+01 6.43339e+01 262.258 -2.72730e-01 -2.00619e+00 0.00000e+00 0.00000e+00 1.64345e+01 262.258 4.78994e+01 82.258  0.7018 
1 1 1 20 7  6  o 19 5.83157e+01 1.18688e+01 1.19441e+02 184.275 -5.01680e+00 -3.75010e-01 0.00000e+00 0.00000e+00 1.91486e+01 184.275 1.00293e+02 4.275   0.8941 
1 1 1 20 7  7  o 14 1.34366e+02 6.41834e+00 1.72100e+02 98.691  -2.78044e+00 1.81882e+01  0.00000e+00 0.00000e+00 1.75014e+02 98.691  2.91388e+00 98.691  0.9724 
1 1 1 20 7  8  o 16 2.14699e+02 4.83112e+00 2.39382e+02 34.890  3.40371e+01  2.37354e+01  0.00000e+00 0.00000e+00 3.23701e+02 34.890  8.43188e+01 34.890  0.9879 
1 1 1 20 7  9  o 8  9.05942e+01 8.75998e+00 1.18089e+02 357.664 1.02402e+01  -4.17646e-01 0.00000e+00 0.00000e+00 1.10204e+02 357.664 7.88468e+00 177.664 0.9499 
1 1 1 20 7  10 o 19 7.54368e+01 1.05813e+01 1.00738e+02 255.362 -1.75284e+00 -6.71083e+00 0.00000e+00 0.00000e+00 8.41893e+01 255.362 1.65483e+01 75.362  0.9248 
1 1 1 20 7  11 o 8  8.94075e+01 9.62034e+00 1.55206e+02 257.878 -2.70942e+00 -1.26143e+01 0.00000e+00 0.00000e+00 7.22046e+01 257.878 8.30014e+01 77.878  0.9604 
1 1 1 20 7  12 o 14 1.31548e+02 6.36462e+00 8.05650e+01 191.107 -9.26703e+00 -1.81931e+00 0.00000e+00 0.00000e+00 2.48494e+02 191.107 1.67929e+02 191.107 0.9455 
1 1 1 20 7  13 o 9  5.13126e+01 1.18700e+01 1.00644e+02 176.646 -4.08275e+00 2.39246e-01  0.00000e+00 0.00000e+00 1.69155e+01 176.646 8.37288e+01 356.646 0.8669 
1 1 1 20 7  14 o 1  5.72689e+01 1.19879e+01 5.23559e+01 83.154  2.80356e-01  2.33519e+00  0.00000e+00 0.00000e+00 6.07074e+01 83.154  8.35146e+00 83.154  0.7479 
1 1 1 20 7  15 o 18 7.03276e+01 1.05481e+01 5.82369e+01 192.713 -3.96978e+00 -8.95606e-01 0.00000e+00 0.00000e+00 1.02361e+02 192.713 4.41239e+01 192.713 0.8661 
1 1 1 20 7  16 o 13 5.01943e+01 1.20010e+01 1.07157e+02 75.483  1.27567e+00  4.92663e+00  0.00000e+00 0.00000e+00 1.11796e+01 75.483  9.59772e+01 255.483 0.8954 
1 1 1 20 7  17 o 12 9.85781e+01 7.65413e+00 1.10724e+02 61.144  5.78810e+00  1.05042e+01  0.00000e+00 0.00000e+00 1.37406e+02 61.144  2.66817e+01 61.144  0.9574 
1 1 1 20 7  18 o 17 4.27402e+01 1.13796e+01 4.39375e+01 130.780 -1.21271e+00 1.40595e+00  0.00000e+00 0.00000e+00 3.15506e+01 130.780 1.23868e+01 310.780 0.6728 
1 1 1 20 7  19 o 17 6.35860e+01 1.21360e+01 8.07600e+01 18.178  4.53586e+00  1.48935e+00  0.00000e+00 0.00000e+00 6.72136e+01 18.178  1.35463e+01 198.178 0.8879 
1 1 1 20 7  20 f 0  3.29187e+01 1.04830e+01 5.97106e+01 161.827 -1.80228e+00 5.91618e-01  0.00000e+00 0.00000e+00 1.12952e+00 341.827 6.08401e+01 341.827 0.6801 
1 1 1 20 7  21 o 5  1.30009e+02 6.59273e+00 1.55619e+02 242.845 -1.14610e+01 -2.23440e+01 0.00000e+00 0.00000e+00 1.77134e+02 242.845 2.15155e+01 242.845 0.9799 
1 1 1 20 7  22 o 4  6.86810e+01 1.13184e+01 1.20056e+02 197.521 -9.08394e+00 -2.86774e+00 0.00000e+00 0.00000e+00 4.93304e+01 197.521 7.07259e+01 17.521  0.9460 
1 1 1 20 7  23 o 17 7.08102e+01 3.25009e+01 1.19902e+02 235.631 -2.30270e+00 -3.36696e+00 0.00000e+00 0.00000e+00 3.97557e+01 235.631 8.01463e+01 55.631  0.8665 
1 1 1 20 7  25 o 4  9.09482e+01 8.06329e+00 1.14299e+02 62.119  6.92802e+00  1.30954e+01  0.00000e+00 0.00000e+00 1.13283e+02 62.119  1.01570e+00 242.119 0.9656 
1 1 1 20 7  26 o 3  8.40618e+01 8.62684e+00 9.74847e+01 331.536 1.02798e+01  -5.57312e+00 0.00000e+00 0.00000e+00 1.10359e+02 331.536 1.28745e+01 331.536 0.9562 
1 1 1 20 7  27 o 2  4.13562e+01 1.15593e+01 7.12153e+01 274.957 3.24038e-01  -3.73635e+00 0.00000e+00 0.00000e+00 1.98108e+01 274.957 5.14045e+01 94.957  0.8532 
1 1 1 20 7  28 o 19 7.80981e+01 1.08429e+01 8.59688e+01 116.439 -3.74188e+00 7.52499e+00  0.00000e+00 0.00000e+00 1.02662e+02 116.439 1.66927e+01 116.439 0.9385 
1 1 1 20 7  29 o 4  9.00824e+01 9.50383e+00 1.01324e+02 152.135 -1.11199e+01 5.87899e+00  0.00000e+00 0.00000e+00 1.20555e+02 152.135 1.92305e+01 152.135 0.9594 
1 1 1 20 7  30 o 11 4.76067e+01 1.26098e+01 4.97814e+01 135.337 -2.12959e+00 2.10469e+00  0.00000e+00 0.00000e+00 4.89124e+01 135.337 8.68934e-01 315.337 0.8096 
1 1 1 20 7  31 o 4  4.31301e+01 1.18034e+01 6.29283e+01 115.198 -1.66121e+00 3.53060e+00  0.00000e+00 0.00000e+00 3.17678e+01 115.198 3.11605e+01 295.198 0.8596 
1 1 1 20 7  32 o 4  4.94448e+01 1.22517e+01 3.08892e+01 206.616 -1.92717e+00 -9.65748e-01 0.00000e+00 0.00000e+00 6.00095e+01 206.616 2.91202e+01 206.616 0.7217 
1 1 1 20 7  33 f 0  5.03613e+01 1.20213e+01 4.89840e+01 78.791  6.68413e-01  3.37294e+00  0.00000e+00 0.00000e+00 5.81897e+01 78.791  9.20577e+00 78.791  0.8378 
1 1 1 20 7  34 o 16 7.67350e+01 1.09264e+01 1.39798e+02 60.749  8.57425e+00  1.53101e+01  0.00000e+00 0.00000e+00 4.89256e+01 60.749  9.08728e+01 240.749 0.9711 
1 1 1 20 7  35 o 9  9.60653e+01 8.23026e+00 6.19750e+01 352.280 1.06300e+01  -1.44105e+00 0.00000e+00 0.00000e+00 1.69006e+02 352.280 1.07031e+02 352.280 0.9522 
1 1 1 20 7  36 o 8  4.69534e+01 1.22245e+01 7.95605e+01 10.235  5.57514e+00  1.00662e+00  0.00000e+00 0.00000e+00 2.76279e+01 10.235  5.19325e+01 190.235 0.9068 
1 1 1 20 7  37 o 1  6.01549e+01 1.26849e+01 1.18715e+02 320.854 8.77715e+00  -7.14464e+00 0.00000e+00 0.00000e+00 2.54133e+01 320.854 9.33015e+01 140.854 0.9547 
1 1 1 20 7  38 o 19 4.41353e+01 1.18623e+01 6.06213e+01 189.131 -4.63086e+00 -7.44283e-01 0.00000e+00 0.00000e+00 3.71571e+01 189.131 2.34641e+01 9.131   0.8857 
1 1 1 20 7  39 o 11 5.33172e+01 1.18804e+01 8.35523e+01 194.908 -7.80018e+00 -2.07659e+00 0.00000e+00 0.00000e+00 4.08449e+01 194.908 4.27075e+01 14.908  0.9358 
1 1 1 20 7  40 o 15 5.64285e+01 1.28015e+01 7.72904e+01 24.543  7.19021e+00  3.28334e+00  0.00000e+00 0.00000e+00 5.37193e+01 24.543  2.35711e+01 204.543 0.9344 
1 1 1 20 7  41 o 5  4.60556e+01 1.22222e+01 2.60558e+01 317.043 1.63282e+00  -1.52034e+00 0.00000e+00 0.00000e+00 5.74490e+01 317.043 3.13932e+01 317.043 0.7323 
1 1 1 20 7  42 o 5  4.29220e+01 1.16897e+01 5.54186e+01 260.944 -7.94266e-01 -4.98316e+00 0.00000e+00 0.00000e+00 3.92971e+01 260.944 1.61215e+01 80.944  0.8944 
1 1 1 20 7  43 f 0  5.07347e+01 1.22908e+01 5.76914e+01 249.016 -2.09918e+00 -5.47299e+00 0.00000e+00 0.00000e+00 5.58148e+01 249.016 1.87669e+00 69.016  0.9102 
1 1 1 20 7  44 o 19 4.61529e+01 1.23415e+01 4.58171e+01 201.249 -4.26803e+00 -1.65965e+00 0.00000e+00 0.00000e+00 5.39392e+01 201.249 8.12212e+00 201.249 0.8826 
1 1 1 20 8  0  o 6  1.13055e+02 1.14988e+01 1.55160e+02 180.000 -8.52288e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.46456e+02 180.000 8.70401e+00 0.000   1.0000 
1 1 1 20 8  1  o 18 9.21333e+01 8.46319e+00 5.65020e+01 110.580 -1.76513e+00 4.70092e+00  0.00000e+00 0.00000e+00 1.63203e+02 110.580 1.06701e+02 110.580 0.8939 
1 1 1 20 8  2  f 0  5.66944e+01 1.19610e+01 9.05819e+01 148.281 -3.85636e+00 2.38348e+00  0.00000e+00 0.00000e+00 4.26957e+01 148.281 4.78861e+01 328.281 0.8813 
1 1 1 20 8  3  o 12 2.72264e+02 4.79733e+00 3.51244e+02 173.637 -9.75760e+01 1.08806e+01  0.00000e+00 0.00000e+00 3.71132e+02 173.637 1.98881e+01 173.637 0.9949 
1 1 1 20 8  4  o 18 5.22942e+01 1.19987e+01 7.44404e+01 359.000 3.42275e+00  -5.97157e-02 0.00000e+00 0.00000e+00 4.22515e+01 359.000 3.21889e+01 179.000 0.8370 
1 1 1 20 8  5  o 4  1.12297e+02 7.00108e+00 8.95532e+01 340.722 9.37078e+00  -3.27747e+00 0.00000e+00 0.00000e+00 1.94218e+02 340.722 1.04665e+02 340.722 0.9482 
1 1 1 20 8  6  o 14 2.41931e+02 4.55985e+00 2.54300e+02 345.308 6.08261e+01  -1.59486e+01 0.00000e+00 0.00000e+00 3.84994e+02 345.308 1.30694e+02 345.308 0.9920 
1 1 1 20 8  7  o 1  1.94946e+02 4.83506e+00 1.98493e+02 10.242  3.48021e+01  6.28815e+00  0.00000e+00 0.00000e+00 3.13107e+02 10.242  1.14613e+02 10.242  0.9858 
1 1 1 20 8  8  o 8  7.19518e+01 1.06752e+01 1.36563e+02 286.507 2.28963e+00  -7.72619e+00 0.00000e+00 0.00000e+00 4.25608e+01 286.507 9.40027e+01 106.507 0.9357 
1 1 1 20 8  9  o 19 5.69247e+01 1.16042e+01 7.63654e+01 97.938  -4.79432e-01 3.43848e+00  0.00000e+00 0.00000e+00 5.07000e+01 97.938  2.56654e+01 277.938 0.8396 
1 1 1 20 8  10 o 16 4.34969e+01 1.22789e+01 6.31670e+01 216.101 -1.73517e+00 -1.26536e+00 0.00000e+00 0.00000e+00 2.00914e+01 216.101 4.30756e+01 36.101  0.7206 
1 1 1 20 8  11 o 10 1.07066e+02 7.64853e+00 1.73161e+02 292.305 7.56091e+00  -1.84305e+01 0.00000e+00 0.00000e+00 1.03764e+02 292.305 6.93970e+01 112.305 0.9746 
1 1 1 20 8  12 o 13 1.83018e+02 5.31374e+00 2.78372e+02 179.006 -5.68513e+01 9.86341e-01  0.00000e+00 0.00000e+00 2.02586e+02 179.006 7.57861e+01 359.006 0.9912 
1 1 1 20 8  13 o 16 1.03191e+02 7.88523e+00 1.48122e+02 198.837 -1.52763e+01 -5.21143e+00 0.00000e+00 0.00000e+00 1.16572e+02 198.837 3.15504e+01 18.837  0.9685 
1 1 1 20 8  14 o 1  1.58727e+02 5.68464e+00 1.79548e+02 231.351 -2.04143e+01 -2.55277e+01 0.00000e+00 0.00000e+00 2.33874e+02 231.351 5.43260e+01 231.351 0.9846 
1 1 1 20 8  15 o 6  3.14124e+01 1.00224e+01 5.17887e+01 279.637 2.81137e-01  -1.65561e+00 0.00000e+00 0.00000e+00 1.11513e+00 279.637 5.06736e+01 99.637  0.6374 
1 1 1 20 8  16 o 12 5.64781e+01 1.18531e+01 6.04336e+01 114.112 -1.31444e+00 2.93677e+00  0.00000e+00 0.00000e+00 6.24886e+01 114.112 2.05502e+00 114.112 0.8249 
1 1 1 20 8  17 o 9  1.57148e+02 6.21915e+00 1.74139e+02 302.086 1.55527e+01  -2.48062e+01 0.00000e+00 0.00000e+00 2.32784e+02 302.086 5.86456e+01 302.086 0.9828 
1 1 1 20 8  18 o 15 4.55526e+01 1.18337e+01 6.74612e+01 295.688 1.44058e+00  -2.99489e+00 0.00000e+00 0.00000e+00 3.21650e+01 295.688 3.52962e+01 115.688 0.8313 
1 1 1 20 8  19 o 10 4.76515e+01 1.18548e+01 2.01358e+01 119.869 -5.12441e-01 8.92275e-01  0.00000e+00 0.00000e+00 3.70085e+01 119.869 1.68727e+01 119.869 0.4566 
1 1 1 20 8  20 f 0  7.54187e+01 1.01123e+01 1.46579e+02 271.277 2.96543e-01  -1.32996e+01 0.00000e+00 0.00000e+00 4.36014e+01 271.277 1.02978e+02 91.277  0.9616 
1 1 1 20 8  23 o 9  4.79485e+01 1.16741e+01 1.05025e+02 154.785 -5.75500e+00 2.70999e+00  0.00000e+00 0.00000e+00 9.71025e+00 154.785 9.53145e+01 334.785 0.9176 
1 1 1 20 8  24 o 17 4.48241e+01 1.18740e+01 2.96668e+01 172.619 -1.68207e+00 2.17893e-01  0.00000e+00 0.00000e+00 4.51072e+01 172.619 1.54403e+01 172.619 0.6410 
1 1 1 20 8  25 o 4  1.26906e+02 7.20389e+00 2.19911e+02 300.799 2.11503e+01  -3.54816e+01 0.00000e+00 0.00000e+00 1.05636e+02 300.799 1.14275e+02 120.799 0.9878 
1 1 1 20 8  26 o 13 6.62725e+01 1.21467e+01 6.40160e+01 9.247   5.02612e+00  8.18251e-01  0.00000e+00 0.00000e+00 8.97603e+01 9.247   2.57443e+01 9.247   0.8955 
1 1 1 20 8  27 o 3  7.93623e+01 9.68893e+00 3.65818e+01 166.537 -3.89365e+00 9.32122e-01  0.00000e+00 0.00000e+00 1.40619e+02 166.537 1.04037e+02 166.537 0.8637 
1 1 1 20 8  28 o 19 4.01792e+01 1.14049e+01 2.30848e+01 179.845 -1.23776e+00 3.33934e-03  0.00000e+00 0.00000e+00 3.12501e+01 179.845 8.16531e+00 179.845 0.5243 
1 1 1 20 8  29 o 8  1.17633e+02 6.72731e+00 1.26855e+02 15.169  2.22130e+01  6.02210e+00  0.00000e+00 0.00000e+00 1.69143e+02 15.169  4.22880e+01 15.169  0.9780 
1 1 1 20 8  30 o 1  3.64001e+01 1.06475e+01 4.59818e+01 355.142 2.50912e+00  -2.13247e-01 0.00000e+00 0.00000e+00 2.56619e+01 355.142 2.03199e+01 175.142 0.7670 
1 1 1 20 8  31 o 1  7.08606e+01 1.02595e+01 9.16145e+01 104.919 -2.55796e+00 9.60072e+00  0.00000e+00 0.00000e+00 8.03709e+01 104.919 1.12436e+01 284.919 0.9483 
1 1 1 20 8  32 o 15 8.66675e+01 8.50805e+00 1.08402e+02 43.663  1.08334e+01  1.03392e+01  0.00000e+00 0.00000e+00 1.05306e+02 43.663  3.09586e+00 223.663 0.9660 
1 1 1 20 8  33 o 15 5.55804e+01 1.19568e+01 8.91782e+01 47.489  5.21123e+00  5.68495e+00  0.00000e+00 0.00000e+00 4.27789e+01 47.489  4.63993e+01 227.489 0.9327 
1 1 1 20 8  34 o 1  3.66929e+01 1.13014e+01 6.70877e+01 148.558 -3.32341e+00 2.03198e+00  0.00000e+00 0.00000e+00 1.29461e+01 148.558 5.41416e+01 328.558 0.8594 
1 1 1 20 8  35 o 12 1.48418e+02 6.62823e+00 1.54979e+02 311.822 2.91037e+01  -3.25260e+01 0.00000e+00 0.00000e+00 2.16272e+02 311.822 6.12927e+01 311.822 0.9885 
1 1 1 20 8  36 o 7  6.17557e+01 1.25707e+01 8.27690e+01 311.781 5.42087e+00  -6.06692e+00 0.00000e+00 0.00000e+00 6.31143e+01 311.781 1.96548e+01 131.781 0.9364 
1 1 1 20 8  37 f 0  1.14845e+02 8.59254e+00 1.82143e+02 133.152 -2.93805e+01 3.13391e+01  0.00000e+00 0.00000e+00 1.03297e+02 133.152 7.88465e+01 313.152 0.9883 
1 1 1 20 8  38 f 0  4.38758e+01 1.21213e+01 5.62011e+01 104.483 -1.10207e+00 4.26670e+00  0.00000e+00 0.00000e+00 4.03143e+01 104.483 1.58868e+01 284.483 0.8775 
1 1 1 20 8  39 o 6  4.11815e+01 1.18551e+01 5.45170e+01 192.063 -4.21006e+00 -8.99680e-01 0.00000e+00 0.00000e+00 3.54404e+01 192.063 1.90766e+01 12.063  0.8743 
1 1 1 20 8  40 o 10 4.55063e+01 1.23531e+01 3.57735e+01 108.294 -1.01515e+00 3.07066e+00  0.00000e+00 0.00000e+00 5.78083e+01 108.294 2.20347e+01 108.294 0.8259 
1 1 1 20 8  41 o 4  3.37730e+01 1.07608e+01 4.56768e+01 277.427 4.47510e-01  -3.43292e+00 0.00000e+00 0.00000e+00 2.46388e+01 277.427 2.10380e+01 97.427  0.8391 
1 1 1 20 8  42 o 4  2.80977e+01 9.50050e+00 3.39016e+01 310.349 1.45393e+00  -1.71141e+00 0.00000e+00 0.00000e+00 1.71062e+01 310.349 1.67954e+01 130.349 0.7343 
1 1 1 20 9  0  o 8  1.71204e+01 1.25038e+01 1.02401e+01 0.000   9.23429e-02  0.00000e+00  0.00000e+00 0.00000e+00 6.02406e+00 180.000 1.62641e+01 180.000 0.0921 
1 1 1 20 9  1  o 2  5.27199e+01 1.14951e+01 9.05052e+01 316.589 3.39273e+00  -3.20958e+00 0.00000e+00 0.00000e+00 3.42841e+01 316.589 5.62212e+01 136.589 0.8851 
1 1 1 20 9  2  o 16 8.97871e+01 8.54923e+00 1.17260e+02 318.916 8.41190e+00  -7.33403e+00 0.00000e+00 0.00000e+00 1.11796e+02 318.916 5.46393e+00 138.916 0.9541 
1 1 1 20 9  3  o 19 1.15921e+02 7.39365e+00 2.14522e+02 1.442   2.70230e+01  6.80117e-01  0.00000e+00 0.00000e+00 8.95802e+01 1.442   1.24942e+02 181.442 0.9813 
1 1 1 20 9  4  o 1  6.03449e+01 1.15213e+01 1.01186e+02 309.660 3.79862e+00  -4.58192e+00 0.00000e+00 0.00000e+00 4.58286e+01 309.660 5.53576e+01 129.660 0.9116 
1 1 1 20 9  5  o 7  7.61878e+01 1.01693e+01 1.60948e+02 127.480 -7.54564e+00 9.84066e+00  0.00000e+00 0.00000e+00 3.41963e+01 127.480 1.26752e+02 307.480 0.9588 
1 1 1 20 9  6  o 4  7.80100e+01 9.90968e+00 1.49070e+02 310.287 7.63818e+00  -9.01073e+00 0.00000e+00 0.00000e+00 5.02087e+01 310.287 9.88609e+01 130.287 0.9567 
1 1 1 20 9  7  o 12 9.21854e+01 8.36947e+00 1.11197e+02 265.880 -7.75331e-01 -1.07630e+01 0.00000e+00 0.00000e+00 1.23124e+02 265.880 1.19261e+01 265.880 0.9525 
1 1 1 20 9  8  o 9  1.41886e+02 5.81251e+00 1.81579e+02 50.703  1.88959e+01  2.30890e+01  0.00000e+00 0.00000e+00 1.90429e+02 50.703  8.85041e+00 50.703  0.9831 
1 1 1 20 9  9  o 3  5.30188e+01 1.26318e+01 3.55957e+01 27.242  1.62104e+00  8.34599e-01  0.00000e+00 0.00000e+00 5.85787e+01 27.242  2.29830e+01 27.242  0.6665 
1 1 1 20 9  10 o 18 8.65951e+01 8.56589e+00 1.26422e+02 183.987 -1.18112e+01 -8.23155e-01 0.00000e+00 0.00000e+00 9.42010e+01 183.987 3.22211e+01 3.987   0.9568 
1 1 1 20 9  11 o 19 1.35191e+02 5.98017e+00 1.67214e+02 86.003  1.79186e+00  2.56413e+01  0.00000e+00 0.00000e+00 1.85382e+02 86.003  1.81686e+01 86.003  0.9804 
1 1 1 20 9  12 o 2  1.47543e+02 5.82963e+00 1.42610e+02 125.259 -1.32848e+01 1.87914e+01  0.00000e+00 0.00000e+00 2.40906e+02 125.259 9.82961e+01 125.259 0.9780 
1 1 1 20 9  13 o 3  1.22195e+02 6.44611e+00 1.92944e+02 6.312   2.51840e+01  2.78558e+00  0.00000e+00 0.00000e+00 1.25002e+02 6.312   6.79418e+01 186.312 0.9801 
1 1 1 20 9  14 o 5  1.09594e+02 7.57645e+00 1.20672e+02 232.796 -9.89584e+00 -1.30356e+01 0.00000e+00 0.00000e+00 1.60927e+02 232.796 4.02555e+01 232.796 0.9690 
1 1 1 20 9  15 o 19 2.21910e+02 4.87726e+00 2.81661e+02 127.227 -4.91568e+01 6.46982e+01  0.00000e+00 0.00000e+00 3.02439e+02 127.227 2.07777e+01 127.227 0.9938 
1 1 1 20 9  16 o 19 1.62577e+02 5.67939e+00 2.19596e+02 213.368 -3.79050e+01 -2.49632e+01 0.00000e+00 0.00000e+00 2.05648e+02 213.368 1.39484e+01 33.368  0.9889 
1 1 1 20 9  17 o 9  4.26018e+01 1.18259e+01 7.71129e+01 207.141 -3.33424e+00 -1.70924e+00 0.00000e+00 0.00000e+00 1.88693e+01 207.141 5.82436e+01 27.141  0.8530 
1 1 1 20 9  20 o 1  3.98808e+01 1.05217e+01 8.24917e+01 19.649  4.11845e+00  1.47052e+00  0.00000e+00 0.00000e+00 9.38932e+00 19.649  7.31024e+01 199.649 0.8765 
1 1 1 20 9  21 f 0  1.14437e+02 7.04132e+00 1.32367e+02 191.191 -2.19023e+01 -4.33322e+00 0.00000e+00 0.00000e+00 1.61105e+02 191.191 2.87383e+01 191.191 0.9773 
1 1 1 20 9  22 o 3  9.96872e+01 8.15241e+00 1.30158e+02 176.390 -1.88664e+01 1.19029e+00  0.00000e+00 0.00000e+00 1.23928e+02 176.390 6.23005e+00 356.390 0.9732 
1 1 1 20 9  23 o 12 4.00335e+01 1.17428e+01 7.97579e+00 70.248  1.37187e-01  3.82050e-01  0.00000e+00 0.00000e+00 1.28383e+01 70.248  4.86249e+00 70.248  0.1989 
1 1 1 20 9  24 o 17 1.29525e+02 6.83247e+00 1.18424e+02 343.114 2.09615e+01  -6.36308e+00 0.00000e+00 0.00000e+00 2.11662e+02 343.114 9.32382e+01 343.114 0.9769 
1 1 1 20 9  25 o 7  8.19186e+01 9.52352e+00 1.51216e+02 237.144 -9.35085e+00 -1.44784e+01 0.00000e+00 0.00000e+00 5.57512e+01 237.144 9.54652e+01 57.144  0.9705 
1 1 1 20 9  26 o 14 8.63101e+01 9.96244e+00 9.26732e+01 221.699 -8.44826e+00 -7.52674e+00 0.00000e+00 0.00000e+00 1.21366e+02 221.699 2.86927e+01 221.699 0.9547 
1 1 1 20 9  27 o 7  6.94383e+01 1.14359e+01 1.06755e+02 240.874 -4.77653e+00 -8.57270e+00 0.00000e+00 0.00000e+00 6.37663e+01 240.874 4.29884e+01 60.874  0.9476 
1 1 1 20 9  28 o 3  4.85224e+01 1.26807e+01 3.03698e+01 194.213 -1.97632e+00 -5.00552e-01 0.00000e+00 0.00000e+00 5.79507e+01 194.213 2.75810e+01 194.213 0.7040 
1 1 1 20 9  29 o 17 4.90701e+01 1.19724e+01 5.75199e+01 310.485 2.62252e+00  -3.07221e+00 0.00000e+00 0.00000e+00 5.19514e+01 310.485 5.56848e+00 130.485 0.8650 
1 1 1 20 9  30 o 18 5.02369e+01 1.16970e+01 7.05313e+01 319.321 3.80872e+00  -3.27361e+00 0.00000e+00 0.00000e+00 4.49903e+01 319.321 2.55410e+01 139.321 0.8939 
1 1 1 20 9  31 o 2  6.65822e+01 1.09930e+01 1.06850e+02 93.536  -7.18431e-01 1.16273e+01  0.00000e+00 0.00000e+00 5.64770e+01 93.536  5.03726e+01 273.536 0.9561 
1 1 1 20 9  32 o 17 3.94328e+01 1.12502e+01 1.78436e+01 157.271 -1.03646e+00 4.34168e-01  0.00000e+00 0.00000e+00 3.14470e+01 157.271 1.36034e+01 157.271 0.4885 
1 1 1 20 9  33 o 1  3.16458e+01 1.01543e+01 2.15238e+01 303.797 6.34776e-01  -9.48312e-01 0.00000e+00 0.00000e+00 1.83795e+01 303.797 3.14430e+00 123.797 0.4942 
1 1 1 20 9  34 o 4  1.00356e+02 1.01326e+01 1.37302e+02 70.014  8.50573e+00  2.33876e+01  0.00000e+00 0.00000e+00 1.12844e+02 70.014  2.44585e+01 250.014 0.9797 
1 1 1 20 9  35 o 9  4.27848e+01 1.16164e+01 1.91047e+01 354.985 1.45529e+00  -1.27711e-01 0.00000e+00 0.00000e+00 4.45284e+01 354.985 2.54237e+01 354.985 0.5863 
1 1 1 20 9  36 o 17 3.85415e+01 1.15028e+01 2.21670e+01 126.154 -9.38668e-01 1.28469e+00  0.00000e+00 0.00000e+00 3.80541e+01 126.154 1.58871e+01 126.154 0.6179 
1 1 1 20 9  37 o 3  3.27296e+01 1.06933e+01 2.63023e+01 218.887 -1.37867e+00 -1.11194e+00 0.00000e+00 0.00000e+00 2.78564e+01 218.887 1.55412e+00 218.887 0.6564 
1 1 1 20 9  38 o 7  9.56435e+01 9.37568e+00 1.07790e+02 217.158 -1.79955e+01 -1.36385e+01 0.00000e+00 0.00000e+00 1.27161e+02 217.158 1.93714e+01 217.158 0.9776 
1 1 1 20 9  39 o 18 3.25608e+01 1.06496e+01 4.44655e+01 95.551  -3.07515e-01 3.16424e+00  0.00000e+00 0.00000e+00 2.26001e+01 95.551  2.18654e+01 275.551 0.8224 
1 1 1 20 9  40 o 3  3.76229e+01 1.17588e+01 3.36129e+01 275.963 2.76964e-01  -2.65161e+00 0.00000e+00 0.00000e+00 3.98129e+01 275.963 6.19999e+00 275.963 0.7819 
1 1 1 20 9  41 o 17 3.78491e+01 1.18968e+01 2.27876e+01 308.545 1.20777e+00  -1.51592e+00 0.00000e+00 0.00000e+00 4.19212e+01 308.545 1.91336e+01 308.545 0.6874 
1 1 1 20 10 0  o 19 9.60653e+01 1.15291e+01 1.68371e+02 180.000 -8.83576e+00 0.00000e+00  0.00000e+00 0.00000e+00 8.92339e+01 180.000 7.91370e+01 0.000   1.0000 
1 1 1 20 10 1  o 13 1.93098e+02 4.90450e+00 2.18088e+02 340.903 4.47119e+01  -1.54803e+01 0.00000e+00 0.00000e+00 2.94191e+02 340.903 7.61032e+01 340.903 0.9894 
1 1 1 20 10 2  o 14 5.02449e+01 1.19921e+01 1.03711e+02 35.946  4.01276e+00  2.90970e+00  0.00000e+00 0.00000e+00 1.65013e+01 35.946  8.72095e+01 215.946 0.8924 
1 1 1 20 10 3  o 14 4.59512e+01 1.12070e+01 1.24570e+02 267.418 -2.50852e-01 -5.56220e+00 0.00000e+00 0.00000e+00 1.30892e+01 87.418  1.37659e+02 87.418  0.9051 
1 1 1 20 10 4  o 10 5.23234e+01 1.18173e+01 1.16534e+02 45.236  4.09489e+00  4.12876e+00  0.00000e+00 0.00000e+00 1.09725e+01 45.236  1.05561e+02 225.236 0.9094 
1 1 1 20 10 5  o 8  6.45344e+01 1.14923e+01 8.90945e+01 225.286 -3.88764e+00 -3.92662e+00 0.00000e+00 0.00000e+00 6.72277e+01 225.286 2.18668e+01 45.286  0.9043 
1 1 1 20 10 6  o 14 1.47548e+02 5.71025e+00 1.67313e+02 169.282 -2.66544e+01 5.04509e+00  0.00000e+00 0.00000e+00 2.20381e+02 169.282 5.30678e+01 169.282 0.9814 
1 1 1 20 10 7  o 18 3.99992e+01 1.13784e+01 9.16389e+01 168.354 -3.44270e+00 7.09533e-01  0.00000e+00 0.00000e+00 1.52879e+00 348.354 9.31677e+01 348.354 0.8419 
1 1 1 20 10 8  o 4  3.52446e+01 1.07867e+01 6.00911e+01 270.480 1.72419e-02  -2.05843e+00 0.00000e+00 0.00000e+00 6.55793e+00 270.480 5.35331e+01 90.480  0.7072 
1 1 1 20 10 9  o 11 1.05491e+02 7.43549e+00 1.34411e+02 4.621   1.76238e+01  1.42454e+00  0.00000e+00 0.00000e+00 1.39392e+02 4.621   4.98174e+00 4.621   0.9713 
1 1 1 20 10 10 o 14 8.84251e+01 8.42165e+00 7.03454e+01 7.632   7.45932e+00  9.99523e-01  0.00000e+00 0.00000e+00 1.49454e+02 7.632   7.91091e+01 7.632   0.9310 
1 1 1 20 10 11 o 6  1.27975e+02 6.09880e+00 1.61349e+02 58.222  1.38417e+01  2.23438e+01  0.00000e+00 0.00000e+00 1.73479e+02 58.222  1.21300e+01 58.222  0.9808 
1 1 1 20 10 12 o 12 1.17812e+02 6.51848e+00 1.05791e+02 90.554  -1.62986e-01 1.68536e+01  0.00000e+00 0.00000e+00 1.98710e+02 90.554  9.29189e+01 90.554  0.9699 
1 1 1 20 10 13 o 7  7.17162e+01 1.02284e+01 1.10598e+02 94.160  -6.95956e-01 9.56871e+00  0.00000e+00 0.00000e+00 7.00746e+01 94.160  4.05233e+01 274.160 0.9464 
1 1 1 20 10 14 o 12 7.00310e+01 3.20118e+01 6.92496e+01 41.726  1.76139e+00  1.57076e+00  0.00000e+00 0.00000e+00 7.01994e+01 41.726  9.49816e-01 41.726  0.7489 
1 1 1 20 10 16 o 14 7.48388e+01 1.20436e+01 1.23410e+02 2.517   8.52271e+00  3.74641e-01  0.00000e+00 0.00000e+00 6.30473e+01 2.517   6.03622e+01 182.517 0.9394 
1 1 1 20 10 17 o 13 5.37378e+01 1.21944e+01 7.60327e+01 6.408   5.06858e+00  5.69266e-01  0.00000e+00 0.00000e+00 5.14340e+01 6.408   2.45987e+01 186.408 0.8957 
1 1 1 20 10 18 o 17 4.30246e+01 1.23941e+01 4.65199e+01 226.594 -1.69196e+00 -1.78883e+00 0.00000e+00 0.00000e+00 4.00406e+01 226.594 6.47926e+00 46.594  0.7608 
1 1 1 20 10 19 o 13 1.29196e+02 7.41632e+00 1.89362e+02 2.243   3.66262e+01  1.43471e+00  0.00000e+00 0.00000e+00 1.47045e+02 2.243   4.23167e+01 182.243 0.9863 
1 1 1 20 10 20 o 16 1.46241e+02 6.83236e+00 1.32725e+02 260.198 -4.98870e+00 -2.88747e+01 0.00000e+00 0.00000e+00 2.46085e+02 260.198 1.13360e+02 260.198 0.9828 
1 1 1 20 10 21 o 7  4.48419e+01 1.22148e+01 6.28500e+01 174.908 -3.38689e+00 3.01819e-01  0.00000e+00 0.00000e+00 3.57489e+01 174.908 2.71010e+01 354.908 0.8357 
1 1 1 20 10 22 o 10 1.04182e+02 7.43590e+00 1.11694e+02 113.921 -7.08422e+00 1.59710e+01  0.00000e+00 0.00000e+00 1.53954e+02 113.921 4.22593e+01 113.921 0.9709 
1 1 1 20 10 23 o 18 1.42938e+02 6.31914e+00 1.63954e+02 190.611 -3.52960e+01 -6.61224e+00 0.00000e+00 0.00000e+00 2.05441e+02 190.611 4.14872e+01 190.611 0.9860 
1 1 1 20 10 24 o 2  6.91766e+01 1.06623e+01 1.34283e+02 147.119 -1.07488e+01 6.94873e+00  0.00000e+00 0.00000e+00 3.94470e+01 147.119 9.48355e+01 327.119 0.9601 
1 1 1 20 10 25 o 14 6.00332e+01 1.11597e+01 7.76185e+01 92.633  -3.19948e-01 6.95688e+00  0.00000e+00 0.00000e+00 6.73495e+01 92.633  1.02690e+01 272.633 0.9251 
1 1 1 20 10 26 o 3  9.92407e+01 7.60674e+00 1.26403e+02 265.018 -1.87795e+00 -2.15434e+01 0.00000e+00 0.00000e+00 1.26020e+02 265.018 3.82582e-01 85.018  0.9766 
1 1 1 20 10 27 o 2  8.14302e+01 9.39060e+00 1.10193e+02 306.343 8.49409e+00  -1.15453e+01 0.00000e+00 0.00000e+00 9.38863e+01 306.343 1.63071e+01 126.343 0.9645 
1 1 1 20 10 28 o 14 9.48055e+01 8.40938e+00 7.09553e+01 350.186 1.07235e+01  -1.85501e+00 0.00000e+00 0.00000e+00 1.63238e+02 350.186 9.22825e+01 350.186 0.9529 
1 1 1 20 10 29 o 11 6.83896e+01 1.18617e+01 2.48445e+01 222.061 -1.98818e+00 -1.79399e+00 0.00000e+00 0.00000e+00 1.13641e+02 222.061 8.87969e+01 222.061 0.7830 
1 1 1 20 10 30 o 2  4.26371e+01 1.23235e+01 2.07119e+01 341.812 1.27798e+00  -4.19869e-01 0.00000e+00 0.00000e+00 4.03787e+01 341.812 1.96668e+01 341.812 0.5555 
1 1 1 20 10 31 o 18 3.66279e+01 1.15186e+01 7.44325e+01 90.169  -1.27407e-02 4.31414e+00  0.00000e+00 0.00000e+00 7.98244e+00 90.169  6.64501e+01 270.169 0.8746 
1 1 1 20 10 32 o 5  4.38551e+01 1.24425e+01 1.92653e+01 63.876  6.02356e-01  1.22824e+00  0.00000e+00 0.00000e+00 4.39436e+01 63.876  2.46783e+01 63.876  0.5618 
1 1 1 20 10 33 o 7  3.55553e+01 1.12274e+01 1.63878e+01 290.413 3.72536e-01  -1.00102e+00 0.00000e+00 0.00000e+00 2.63671e+01 290.413 9.97926e+00 290.413 0.4700 
1 1 1 20 10 34 o 16 1.21585e+02 8.29480e+00 1.41081e+02 149.858 -3.27313e+01 1.90059e+01  0.00000e+00 0.00000e+00 1.64973e+02 149.858 2.38921e+01 149.858 0.9867 
1 1 1 20 10 35 o 18 5.59183e+01 1.14619e+01 5.00105e+01 232.260 -3.39089e+00 -4.38097e+00 0.00000e+00 0.00000e+00 7.86454e+01 232.260 2.86349e+01 232.260 0.9046 
1 1 1 20 10 36 o 6  8.32529e+01 1.15314e+01 8.72530e+01 183.400 -1.42129e+01 -8.44328e-01 0.00000e+00 0.00000e+00 1.16302e+02 183.400 2.90488e+01 183.400 0.9642 
1 1 1 20 10 37 o 10 3.66087e+01 1.10859e+01 7.85941e+00 215.085 -5.07026e-01 -3.56148e-01 0.00000e+00 0.00000e+00 1.95164e+01 215.085 1.16570e+01 215.085 0.2958 
1 1 1 20 10 38 o 16 4.19965e+01 1.19785e+01 4.58959e+01 2.345   4.02796e+00  1.64948e-01  0.00000e+00 0.00000e+00 4.56043e+01 2.345   2.91596e-01 182.345 0.8647 
1 1 1 20 10 39 o 7  2.69349e+01 9.15414e+00 3.01879e+01 171.270 -1.94747e+00 2.99054e-01  0.00000e+00 0.00000e+00 1.66760e+01 171.270 1.35119e+01 351.270 0.6928 
1 1 1 20 10 40 o 3  3.76400e+01 1.21367e+01 4.67169e+01 220.880 -2.93054e+00 -2.53668e+00 0.00000e+00 0.00000e+00 3.41631e+01 220.880 1.25538e+01 40.880  0.8586 
1 1 1 20 11 0  o 13 1.18381e+02 9.48832e+00 1.06046e+02 0.000   8.52504e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.12348e+02 0.000   1.06302e+02 0.000   1.0000 
1 1 1 20 11 1  o 3  5.26633e+01 1.17375e+01 3.62235e+01 81.034  3.45216e-01  2.18803e+00  0.00000e+00 0.00000e+00 6.71870e+01 81.034  3.09636e+01 81.034  0.7301 
1 1 1 20 11 2  o 14 5.56168e+01 1.19685e+01 1.09971e+02 106.559 -2.00567e+00 6.74569e+00  0.00000e+00 0.00000e+00 2.85135e+01 106.559 8.14576e+01 286.559 0.9259 
1 1 1 20 11 3  o 10 7.79977e+01 9.89997e+00 1.54795e+02 192.978 -1.45403e+01 -3.35109e+00 0.00000e+00 0.00000e+00 4.77504e+01 192.978 1.07045e+02 12.978  0.9659 
1 1 1 20 11 4  o 9  4.66997e+01 1.20187e+01 4.23789e+01 209.556 -1.97245e+00 -1.11852e+00 0.00000e+00 0.00000e+00 5.01465e+01 209.556 7.76751e+00 209.556 0.7372 
1 1 1 20 11 5  o 1  4.83925e+01 1.20136e+01 5.11161e+01 351.500 2.79850e+00  -4.18220e-01 0.00000e+00 0.00000e+00 5.24475e+01 351.500 1.33143e+00 351.500 0.7966 
1 1 1 20 11 6  o 2  7.08984e+01 1.05291e+01 2.80584e+01 229.281 -1.56127e+00 -1.81391e+00 0.00000e+00 0.00000e+00 1.15282e+02 229.281 8.72232e+01 229.281 0.7529 
1 1 1 20 11 7  o 1  1.18103e+02 1.05057e+01 1.41389e+02 334.412 1.80836e+01  -8.65955e+00 0.00000e+00 0.00000e+00 1.67578e+02 334.412 2.61896e+01 334.412 0.9747 
1 1 1 20 11 11 o 11 3.59175e+01 1.14106e+01 1.05848e+02 159.837 -3.37523e+00 1.23934e+00  0.00000e+00 0.00000e+00 2.45532e+01 339.837 1.30401e+02 339.837 0.8459 
1 1 1 20 11 12 o 8  3.56761e+01 1.04519e+01 8.63214e+01 134.590 -2.90690e+00 2.94884e+00  0.00000e+00 0.00000e+00 3.48051e+00 314.589 8.98019e+01 314.589 0.8687 
1 1 1 20 11 13 o 7  1.89857e+02 5.46160e+00 1.99066e+02 242.433 -2.72642e+01 -5.22245e+01 0.00000e+00 0.00000e+00 3.03538e+02 242.433 1.04472e+02 242.433 0.9915 
1 1 1 20 11 14 o 3  7.45025e+01 1.09766e+01 6.17900e+01 186.316 -5.96817e+00 -6.60568e-01 0.00000e+00 0.00000e+00 1.19504e+02 186.316 5.77137e+01 186.316 0.9124 
1 1 1 20 11 15 o 7  4.94964e+01 1.24083e+01 5.55821e+01 80.592  5.65669e-01  3.41415e+00  0.00000e+00 0.00000e+00 5.50336e+01 80.592  5.48545e-01 260.592 0.8390 
1 1 1 20 11 16 o 18 2.99899e+01 1.00052e+01 5.07476e+01 315.973 1.50355e+00  -1.45332e+00 0.00000e+00 0.00000e+00 6.06645e+00 315.973 4.46812e+01 135.973 0.7122 
1 1 1 20 11 17 o 4  8.58713e+01 9.33988e+00 1.04323e+02 51.105  7.59534e+00  9.41453e+00  0.00000e+00 0.00000e+00 1.14131e+02 51.105  9.80847e+00 51.105  0.9577 
1 1 1 20 11 18 o 14 1.45991e+02 5.88888e+00 1.36368e+02 346.995 2.86786e+01  -6.62353e+00 0.00000e+00 0.00000e+00 2.44200e+02 346.995 1.07832e+02 346.995 0.9829 
1 1 1 20 11 19 o 13 7.73913e+01 1.00001e+01 9.87109e+01 116.309 -4.68401e+00 9.47359e+00  0.00000e+00 0.00000e+00 9.62717e+01 116.309 2.43919e+00 296.309 0.9514 
1 1 1 20 11 20 o 10 6.62443e+01 1.08812e+01 8.64931e+01 248.706 -2.76385e+00 -7.09102e+00 0.00000e+00 0.00000e+00 7.66806e+01 248.706 9.81252e+00 68.706  0.9318 
1 1 1 20 11 21 o 14 3.81289e+01 1.13028e+01 1.76567e+01 299.870 4.52483e-01  -7.87861e-01 0.00000e+00 0.00000e+00 2.39037e+01 299.870 6.24696e+00 299.870 0.4131 
1 1 1 20 11 22 f 0  7.55028e+01 1.05083e+01 7.40071e+01 93.202  -4.82356e-01 8.62102e+00  0.00000e+00 0.00000e+00 1.12970e+02 93.202  3.89627e+01 93.202  0.9402 
1 1 1 20 11 23 f 0  4.37767e+01 1.13622e+01 4.10042e+01 325.642 2.18880e+00  -1.49633e+00 0.00000e+00 0.00000e+00 4.88200e+01 325.642 7.81582e+00 325.642 0.7805 
1 1 1 20 11 24 o 11 4.17917e+01 1.16968e+01 3.08344e+01 300.363 9.51553e-01  -1.62430e+00 0.00000e+00 0.00000e+00 4.34492e+01 300.363 1.26148e+01 300.363 0.6775 
1 1 1 20 11 25 o 10 3.50019e+01 1.05586e+01 4.01032e+01 307.130 1.27406e+00  -1.68274e+00 0.00000e+00 0.00000e+00 2.54288e+01 307.130 1.46743e+01 127.131 0.7151 
1 1 1 20 11 26 o 5  6.49651e+01 1.18932e+01 8.99064e+01 194.322 -8.97722e+00 -2.29189e+00 0.00000e+00 0.00000e+00 7.03623e+01 194.322 1.95441e+01 14.322  0.9444 
1 1 1 20 11 27 o 15 5.50644e+01 1.15891e+01 4.46590e+01 46.697  2.69250e+00  2.85688e+00  0.00000e+00 0.00000e+00 7.88506e+01 46.697  3.41916e+01 46.697  0.8606 
1 1 1 20 11 28 o 3  7.26328e+01 1.08299e+01 8.74478e+01 151.963 -9.16857e+00 4.88264e+00  0.00000e+00 0.00000e+00 9.20731e+01 151.963 4.62534e+00 151.963 0.9506 
1 1 1 20 11 29 o 6  4.47243e+01 1.21434e+01 4.69974e+01 43.178  2.35659e+00  2.21131e+00  0.00000e+00 0.00000e+00 4.87928e+01 43.178  1.79538e+00 43.178  0.8258 
1 1 1 20 11 30 o 1  3.32982e+01 1.07542e+01 3.02565e+01 22.297  1.64614e+00  6.75045e-01  0.00000e+00 0.00000e+00 2.64258e+01 22.297  3.83073e+00 202.297 0.6580 
1 1 1 20 11 31 o 11 4.05171e+01 1.17939e+01 5.32805e+01 247.964 -1.44319e+00 -3.56551e+00 0.00000e+00 0.00000e+00 3.63542e+01 247.964 1.69263e+01 67.964  0.8573 
1 1 1 20 11 32 o 3  3.11193e+01 1.00851e+01 7.12875e+01 250.567 -1.49535e+00 -4.23851e+00 0.00000e+00 0.00000e+00 8.02484e-01 70.567  7.20900e+01 70.567  0.8802 
1 1 1 20 11 33 o 7  8.04648e+01 1.01456e+01 7.59454e+01 98.160  -1.85754e+00 1.29544e+01  0.00000e+00 0.00000e+00 1.22487e+02 98.160  4.65412e+01 98.160  0.9610 
1 1 1 20 11 34 o 9  5.71837e+01 1.20210e+01 8.28873e+01 75.678  2.24056e+00  8.77597e+00  0.00000e+00 0.00000e+00 5.51006e+01 75.678  2.77867e+01 255.678 0.9431 
1 1 1 20 11 35 o 3  6.11561e+01 1.24244e+01 9.64855e+01 218.441 -9.19188e+00 -7.29598e+00 0.00000e+00 0.00000e+00 5.27293e+01 218.441 4.37561e+01 38.441  0.9564 
1 1 1 20 11 36 o 16 4.32471e+01 1.10155e+01 4.87644e+01 25.760  4.23584e+00  2.04405e+00  0.00000e+00 0.00000e+00 4.86900e+01 25.760  7.44085e-02 205.760 0.8860 
1 1 1 20 11 37 o 7  7.79198e+01 1.11331e+01 8.41142e+01 139.211 -1.07654e+01 9.28887e+00  0.00000e+00 0.00000e+00 1.06360e+02 139.211 2.22462e+01 139.211 0.9642 
1 1 1 20 11 38 o 15 4.21275e+01 1.19452e+01 4.94595e+01 273.429 2.79280e-01  -4.66085e+00 0.00000e+00 0.00000e+00 4.47708e+01 273.429 4.68873e+00 93.429  0.8851 
1 1 1 20 12 0  o 10 4.21528e+01 2.06019e+01 1.03055e+02 0.000   2.46984e+00  0.00000e+00  0.00000e+00 0.00000e+00 9.07306e+00 0.000   9.39818e+01 180.000 0.9858 
1 1 1 20 12 1  o 17 4.63247e+01 1.20430e+01 4.60350e+01 186.971 -2.68315e+00 -3.28053e-01 0.00000e+00 0.00000e+00 5.21370e+01 186.971 6.10191e+00 186.971 0.7854 
1 1 1 20 12 2  o 19 9.08906e+01 9.61569e+00 6.56862e+01 0.650   8.30940e+00  9.43165e-02  0.00000e+00 0.00000e+00 1.64264e+02 0.650   9.85775e+01 0.650   0.9377 
1 1 1 20 12 3  o 15 4.05573e+01 1.14317e+01 4.07625e+01 219.323 -1.65928e+00 -1.35923e+00 0.00000e+00 0.00000e+00 3.80244e+01 219.323 2.73807e+00 39.323  0.7202 
1 1 1 20 12 4  o 7  5.85437e+01 1.23752e+01 7.83498e+01 340.974 5.40628e+00  -1.86426e+00 0.00000e+00 0.00000e+00 6.49522e+01 340.974 1.33976e+01 160.974 0.9078 
1 1 1 20 12 5  o 5  4.09025e+01 1.14876e+01 1.78061e+01 48.773  6.19442e-01  7.06903e-01  0.00000e+00 0.00000e+00 2.90168e+01 48.773  1.12107e+01 48.773  0.4247 
1 1 1 20 12 6  o 15 6.33248e+01 1.16718e+01 2.17215e+01 213.884 -1.45972e+00 -9.80306e-01 0.00000e+00 0.00000e+00 8.98267e+01 213.884 6.81052e+01 213.884 0.6538 
1 1 1 20 12 7  o 1  6.98172e+01 1.14834e+01 6.61308e+01 49.639  3.94464e+00  4.64129e+00  0.00000e+00 0.00000e+00 1.05651e+02 49.639  3.95202e+01 49.639  0.9138 
1 1 1 20 12 8  o 13 4.09401e+01 1.16325e+01 5.54011e+01 187.290 -2.94172e+00 -3.76311e-01 0.00000e+00 0.00000e+00 3.35499e+01 187.290 2.18513e+01 7.290   0.8074 
1 1 1 20 12 9  o 6  8.62344e+01 1.01674e+01 1.47488e+02 244.925 -7.44211e+00 -1.59051e+01 0.00000e+00 0.00000e+00 7.76910e+01 244.925 6.97974e+01 64.925  0.9711 
1 1 1 20 12 10 o 10 4.63797e+01 1.24170e+01 5.41191e+01 161.478 -2.99255e+00 1.00260e+00  0.00000e+00 0.00000e+00 4.81734e+01 161.478 5.94570e+00 341.478 0.8209 
1 1 1 20 12 11 o 19 8.46223e+01 1.08525e+01 1.31863e+02 237.621 -7.71957e+00 -1.21741e+01 0.00000e+00 0.00000e+00 8.72656e+01 237.621 4.45971e+01 57.621  0.9647 
1 1 1 20 12 12 o 1  7.61476e+01 1.13200e+01 6.05669e+01 181.271 -5.82552e+00 -1.29268e-01 0.00000e+00 0.00000e+00 1.25173e+02 181.271 6.46058e+01 181.271 0.9096 
1 1 1 20 12 13 o 10 5.52384e+01 1.20203e+01 7.29115e+01 14.054  4.78080e+00  1.19674e+00  0.00000e+00 0.00000e+00 5.90340e+01 14.054  1.38775e+01 194.054 0.8917 
1 1 1 20 12 14 o 15 7.78959e+01 9.69115e+00 7.15706e+01 10.005  7.75097e+00  1.36741e+00  0.00000e+00 0.00000e+00 1.23123e+02 10.005  5.15526e+01 10.005  0.9341 
1 1 1 20 12 15 o 19 7.10848e+01 1.06612e+01 1.10466e+02 238.066 -5.62122e+00 -9.01898e+00 0.00000e+00 0.00000e+00 7.03241e+01 238.066 4.01421e+01 58.066  0.9517 
1 1 1 20 12 16 o 1  3.64115e+01 1.08972e+01 5.43109e+01 53.258  1.64197e+00  2.19953e+00  0.00000e+00 0.00000e+00 2.23777e+01 53.258  3.19331e+01 233.258 0.7892 
1 1 1 20 12 17 o 14 4.55477e+01 1.15183e+01 5.88593e+01 181.474 -3.60429e+00 -9.27716e-02 0.00000e+00 0.00000e+00 4.38823e+01 181.474 1.49770e+01 1.474   0.8464 
1 1 1 20 12 18 o 12 8.58682e+01 8.73693e+00 9.97569e+01 251.764 -4.48747e+00 -1.36198e+01 0.00000e+00 0.00000e+00 1.20616e+02 251.764 2.08592e+01 251.764 0.9645 
1 1 1 20 12 19 o 18 4.45071e+01 1.17610e+01 1.03680e+02 21.085  6.29396e+00  2.42675e+00  0.00000e+00 0.00000e+00 5.40655e+00 21.085  9.82736e+01 201.085 0.9226 
1 1 1 20 12 20 o 14 9.03680e+01 8.42186e+00 1.57427e+02 329.118 2.06538e+01  -1.23524e+01 0.00000e+00 0.00000e+00 7.72149e+01 329.118 8.02125e+01 149.118 0.9790 
1 1 1 20 12 21 o 16 5.45555e+01 1.18654e+01 6.09840e+01 138.160 -3.59973e+00 3.22303e+00  0.00000e+00 0.00000e+00 6.74686e+01 138.160 6.48463e+00 138.160 0.8893 
1 1 1 20 12 22 o 12 6.19559e+01 1.21304e+01 8.80308e+01 114.373 -3.17077e+00 6.99885e+00  0.00000e+00 0.00000e+00 6.46364e+01 114.373 2.33944e+01 294.372 0.9325 
1 1 1 20 12 23 o 19 8.34212e+01 1.09909e+01 9.87896e+01 279.030 2.15193e+00  -1.35402e+01 0.00000e+00 0.00000e+00 1.13052e+02 279.030 1.42620e+01 279.030 0.9628 
1 1 1 20 12 24 o 4  9.20254e+01 9.26478e+00 1.11922e+02 124.782 -1.04958e+01 1.51114e+01  0.00000e+00 0.00000e+00 1.23626e+02 124.782 1.17041e+01 124.782 0.9724 
1 1 1 20 12 25 o 3  5.43731e+01 1.00228e+01 1.02645e+02 252.458 -2.87244e+00 -9.08716e+00 0.00000e+00 0.00000e+00 3.24574e+01 252.458 7.01877e+01 72.458  0.9460 
1 1 1 20 12 26 o 19 3.00329e+01 9.98707e+00 2.85412e+01 64.741  6.26359e-01  1.32755e+00  0.00000e+00 0.00000e+00 1.77484e+01 64.741  1.07927e+01 244.741 0.5881 
1 1 1 20 12 27 o 8  9.21375e+01 8.13894e+00 8.39815e+01 155.719 -1.41820e+01 6.39766e+00  0.00000e+00 0.00000e+00 1.49068e+02 155.719 6.50865e+01 155.719 0.9673 
1 1 1 20 12 28 o 14 7.76854e+01 1.05471e+01 7.18275e+01 125.961 -5.83972e+00 8.04933e+00  0.00000e+00 0.00000e+00 1.20350e+02 125.961 4.85226e+01 125.961 0.9483 
1 1 1 20 12 29 o 15 4.25137e+01 1.20381e+01 8.31290e+01 115.307 -2.65325e+00 5.61126e+00  0.00000e+00 0.00000e+00 1.81493e+01 115.307 6.49797e+01 295.307 0.9155 
1 1 1 20 12 30 o 13 4.29656e+01 1.13909e+01 3.69362e+01 183.852 -2.98845e+00 -2.01237e-01 0.00000e+00 0.00000e+00 5.33561e+01 183.852 1.64199e+01 183.852 0.8096 
1 1 1 20 12 31 f 0  5.65860e+01 1.26177e+01 8.07973e+01 81.265  1.28704e+00  8.37678e+00  0.00000e+00 0.00000e+00 5.67580e+01 81.265  2.40393e+01 261.265 0.9390 
1 1 1 20 12 32 o 2  4.53373e+01 1.16445e+01 5.90387e+01 159.341 -4.89514e+00 1.84570e+00  0.00000e+00 0.00000e+00 4.61305e+01 159.341 1.29082e+01 339.341 0.8985 
1 1 1 20 12 33 o 19 6.42441e+01 1.21333e+01 4.31919e+01 7.001   5.58119e+00  6.85379e-01  0.00000e+00 0.00000e+00 1.06673e+02 7.001   6.34810e+01 7.001   0.9061 
1 1 1 20 12 34 o 5  3.71917e+01 1.02446e+01 4.25951e+01 267.142 -1.85153e-01 -3.70830e+00 0.00000e+00 0.00000e+00 3.87022e+01 267.142 3.89292e+00 87.142  0.8515 
1 1 1 20 12 35 o 9  4.27363e+01 1.20468e+01 4.42472e+01 249.496 -1.35987e+00 -3.63630e+00 0.00000e+00 0.00000e+00 4.96952e+01 249.496 5.44799e+00 249.496 0.8588 
1 1 1 20 12 36 o 7  3.72937e+01 1.12836e+01 7.33451e+01 16.418  6.15921e+00  1.81481e+00  0.00000e+00 0.00000e+00 1.40549e+01 16.418  5.92903e+01 196.418 0.9184 
1 1 1 20 13 0  o 17 5.64821e+01 2.12159e+01 8.62199e+01 180.000 -2.64341e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.51936e+01 180.000 2.10263e+01 0.000   0.9899 
1 1 1 20 13 1  o 17 8.05920e+01 1.15975e+01 7.62554e+01 280.482 1.39986e+00  -7.56630e+00 0.00000e+00 0.00000e+00 1.27259e+02 280.482 5.10034e+01 280.482 0.9326 
1 1 1 20 13 2  o 16 5.03224e+01 1.24346e+01 5.39454e+01 13.658  3.19217e+00  7.75678e-01  0.00000e+00 0.00000e+00 5.90099e+01 13.658  5.06449e+00 13.658  0.8290 
1 1 1 20 13 3  o 4  7.91919e+01 1.05764e+01 8.31334e+01 97.510  -1.11850e+00 8.48499e+00  0.00000e+00 0.00000e+00 1.18291e+02 97.510  3.51580e+01 97.510  0.9396 
1 1 1 20 13 4  o 13 4.86126e+01 1.27987e+01 2.18813e+01 214.958 -1.03710e+00 -7.25050e-01 0.00000e+00 0.00000e+00 4.81799e+01 214.958 2.62986e+01 214.958 0.5326 
1 1 1 20 13 5  o 9  9.04806e+01 9.63581e+00 5.77634e+01 159.557 -6.98446e+00 2.60347e+00  0.00000e+00 0.00000e+00 1.69928e+02 159.557 1.12165e+02 159.557 0.9303 
1 1 1 20 13 6  o 3  1.29309e+02 7.69200e+00 1.56727e+02 222.919 -2.25828e+01 -2.09989e+01 0.00000e+00 0.00000e+00 1.87181e+02 222.919 3.04538e+01 222.919 0.9836 
1 1 1 20 13 7  o 7  8.62894e+01 9.89709e+00 9.36440e+01 79.884  1.99486e+00  1.11807e+01  0.00000e+00 0.00000e+00 1.29019e+02 79.884  3.53746e+01 79.884  0.9549 
1 1 1 20 13 8  o 14 4.06812e+01 1.14872e+01 3.86644e+01 153.070 -1.84633e+00 9.37920e-01  0.00000e+00 0.00000e+00 3.92357e+01 153.070 5.71239e-01 153.070 0.7091 
1 1 1 20 13 9  o 8  5.94109e+01 1.16183e+01 8.36946e+01 245.415 -2.70065e+00 -5.90278e+00 0.00000e+00 0.00000e+00 6.37022e+01 245.415 1.99924e+01 65.415  0.9194 
1 1 1 20 13 10 o 13 6.19571e+01 1.14323e+01 6.88129e+01 177.053 -5.80475e+00 2.98848e-01  0.00000e+00 0.00000e+00 8.30992e+01 177.053 1.42863e+01 177.053 0.9093 
1 1 1 20 13 11 o 3  1.33242e+02 6.24428e+00 1.35209e+02 298.592 1.40687e+01  -2.58123e+01 0.00000e+00 0.00000e+00 2.17573e+02 298.592 8.23648e+01 298.592 0.9828 
1 1 1 20 13 12 o 13 4.38861e+01 1.07203e+01 5.44051e+01 194.512 -3.21814e+00 -8.32986e-01 0.00000e+00 0.00000e+00 4.37851e+01 194.512 1.06200e+01 14.512  0.8314 
1 1 1 20 13 13 o 11 1.40868e+02 5.99732e+00 1.72968e+02 346.461 4.38627e+01  -1.05621e+01 0.00000e+00 0.00000e+00 2.01511e+02 346.461 2.85432e+01 346.461 0.9889 
1 1 1 20 13 14 o 5  4.05475e+01 1.10636e+01 7.11683e+01 305.915 2.56726e+00  -3.54456e+00 0.00000e+00 0.00000e+00 2.42728e+01 305.915 4.68954e+01 125.915 0.8766 
1 1 1 20 13 15 o 2  3.94551e+01 1.12275e+01 8.38702e+01 118.043 -2.35861e+00 4.42791e+00  0.00000e+00 0.00000e+00 1.07018e+01 118.043 7.31685e+01 298.043 0.8938 
1 1 1 20 13 16 o 3  4.40681e+01 1.12416e+01 6.31487e+01 292.191 1.58387e+00  -3.88289e+00 0.00000e+00 0.00000e+00 3.96009e+01 292.191 2.35478e+01 112.191 0.8706 
1 1 1 20 13 17 o 16 4.46201e+01 1.19153e+01 6.49596e+01 123.545 -2.30136e+00 3.47106e+00  0.00000e+00 0.00000e+00 3.88093e+01 123.545 2.61503e+01 303.545 0.8696 
1 1 1 20 13 18 o 14 5.13454e+01 1.19110e+01 6.33088e+01 190.182 -4.57081e+00 -8.20916e-01 0.00000e+00 0.00000e+00 5.79557e+01 190.182 5.35308e+00 10.182  0.8844 
1 1 1 20 13 19 o 7  3.97070e+01 1.17662e+01 4.02828e+01 290.498 9.01469e-01  -2.41137e+00 0.00000e+00 0.00000e+00 4.15347e+01 290.498 1.25194e+00 290.498 0.7728 
1 1 1 20 13 20 o 2  4.28417e+01 1.18769e+01 4.26795e+01 163.055 -2.78237e+00 8.47747e-01  0.00000e+00 0.00000e+00 4.88867e+01 163.055 6.20723e+00 163.055 0.8030 
1 1 1 20 13 21 o 5  6.14307e+01 1.13630e+01 8.38909e+01 233.341 -4.97602e+00 -6.68594e+00 0.00000e+00 0.00000e+00 6.91983e+01 233.341 1.46927e+01 53.341  0.9379 
1 1 1 20 13 22 o 10 1.21143e+02 6.80815e+00 1.67990e+02 0.518   3.96759e+01  3.58551e-01  0.00000e+00 0.00000e+00 1.49212e+02 0.518   1.87787e+01 180.518 0.9873 
1 1 1 20 13 23 o 9  4.90210e+01 1.17752e+01 5.56521e+01 248.494 -1.57783e+00 -4.00436e+00 0.00000e+00 0.00000e+00 5.77878e+01 248.494 2.13573e+00 248.494 0.8743 
1 1 1 20 13 24 f 0  6.68746e+01 1.12476e+01 8.33294e+01 114.165 -3.97030e+00 8.84859e+00  0.00000e+00 0.00000e+00 8.39511e+01 114.165 6.21716e-01 114.165 0.9470 
1 1 1 20 13 25 o 7  5.26538e+01 1.19010e+01 2.26131e+01 356.545 2.12613e+00  -1.28364e-01 0.00000e+00 0.00000e+00 7.70416e+01 356.545 5.44285e+01 356.545 0.7180 
1 1 1 20 13 26 o 13 9.78170e+01 8.59913e+00 1.26977e+02 153.768 -2.35043e+01 1.15816e+01  0.00000e+00 0.00000e+00 1.25340e+02 153.768 1.63768e+00 333.768 0.9807 
1 1 1 20 13 27 o 4  6.85161e+01 1.11725e+01 9.27346e+01 141.401 -9.53317e+00 7.61002e+00  0.00000e+00 0.00000e+00 7.95272e+01 141.401 1.32073e+01 321.401 0.9581 
1 1 1 20 13 28 o 4  4.13135e+01 1.17241e+01 9.66072e+01 52.105  4.81750e+00  6.18944e+00  0.00000e+00 0.00000e+00 4.39844e+00 52.105  9.22087e+01 232.105 0.9339 
1 1 1 20 13 29 o 19 1.16262e+02 7.15022e+00 1.41974e+02 154.256 -3.73158e+01 1.79942e+01  0.00000e+00 0.00000e+00 1.57958e+02 154.256 1.59836e+01 154.256 0.9879 
1 1 1 20 13 30 o 2  5.38024e+01 1.19301e+01 3.25835e+01 90.419  -2.64834e-02 3.61820e+00  0.00000e+00 0.00000e+00 8.61295e+01 90.419  5.35460e+01 90.419  0.8471 
1 1 1 20 13 31 o 3  4.99168e+01 1.21124e+01 4.58368e+01 11.820  4.68963e+00  9.81426e-01  0.00000e+00 0.00000e+00 6.93633e+01 11.820  2.35266e+01 11.820  0.8883 
1 1 1 20 13 32 o 12 3.88671e+01 1.12076e+01 3.79581e+00 356.933 3.24747e-01  -1.74015e-02 0.00000e+00 0.00000e+00 1.23666e+01 356.933 8.57074e+00 356.933 0.1605 
1 1 1 20 13 33 o 9  3.06152e+01 1.02143e+01 2.41040e+01 346.428 1.64981e+00  -3.98263e-01 0.00000e+00 0.00000e+00 2.66187e+01 346.428 2.51473e+00 346.428 0.6412 
1 1 1 20 14 0  o 5  2.30097e+01 1.60356e+01 5.20794e+01 0.000   9.05196e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.11746e+00 180.000 5.91968e+01 180.000 0.7188 
1 1 1 20 14 1  o 1  3.95981e+01 1.15374e+01 7.63285e+01 40.234  3.45311e+00  2.92163e+00  0.00000e+00 0.00000e+00 1.85026e+01 40.234  5.78259e+01 220.234 0.8810 
1 1 1 20 14 2  o 13 5.89444e+01 1.21440e+01 8.02052e+01 129.557 -4.37574e+00 5.29746e+00  0.00000e+00 0.00000e+00 6.78362e+01 129.557 1.23690e+01 309.557 0.9241 
1 1 1 20 14 3  o 10 6.82871e+01 1.13547e+01 1.00976e+02 268.913 -1.97139e-01 -1.03918e+01 0.00000e+00 0.00000e+00 7.54180e+01 268.913 2.55580e+01 88.913  0.9506 
1 1 1 20 14 4  o 18 6.54572e+01 1.18092e+01 7.90360e+01 247.801 -2.88085e+00 -7.05954e+00 0.00000e+00 0.00000e+00 8.66727e+01 247.801 7.63667e+00 247.801 0.9319 
1 1 1 20 14 5  o 14 3.98652e+01 1.17258e+01 9.09145e+01 330.505 4.66062e+00  -2.63636e+00 0.00000e+00 0.00000e+00 6.62187e+00 330.505 8.42927e+01 150.505 0.9010 
1 1 1 20 14 6  o 15 1.19679e+02 7.13492e+00 1.78115e+02 91.938  -1.28624e+00 3.80030e+01  0.00000e+00 0.00000e+00 1.42416e+02 91.938  3.56987e+01 271.938 0.9868 
1 1 1 20 14 7  o 9  5.39844e+01 1.22080e+01 8.84125e+01 354.651 6.91395e+00  -6.47295e-01 0.00000e+00 0.00000e+00 4.70320e+01 354.651 4.13805e+01 174.651 0.9249 
1 1 1 20 14 8  o 2  1.11448e+02 7.36152e+00 7.61515e+01 292.480 5.78992e+00  -1.39922e+01 0.00000e+00 0.00000e+00 2.15821e+02 292.480 1.39670e+02 292.480 0.9664 
1 1 1 20 14 9  o 19 6.33272e+01 1.18813e+01 1.21579e+02 230.545 -7.19205e+00 -8.73876e+00 0.00000e+00 0.00000e+00 4.22058e+01 230.545 7.93734e+01 50.545  0.9547 
1 1 1 20 14 10 o 3  5.19249e+01 1.32322e+01 1.00791e+02 120.250 -3.61983e+00 6.20701e+00  0.00000e+00 0.00000e+00 2.95716e+01 120.250 7.12193e+01 300.250 0.9275 
1 1 1 20 14 11 o 1  4.48517e+01 1.23646e+01 1.01716e+01 80.857  1.02353e-01  6.35924e-01  0.00000e+00 0.00000e+00 2.69955e+01 80.857  1.68239e+01 80.857  0.3064 
1 1 1 20 14 12 f 0  1.58249e+02 6.36906e+00 1.96226e+02 234.578 -3.21827e+01 -4.52493e+01 0.00000e+00 0.00000e+00 2.27428e+02 234.578 3.12026e+01 234.578 0.9910 
1 1 1 20 14 13 o 13 4.65605e+01 1.27155e+01 5.16856e+01 140.588 -2.56191e+00 2.10527e+00  0.00000e+00 0.00000e+00 5.27151e+01 140.588 1.02949e+00 140.588 0.8309 
1 1 1 20 14 14 o 11 5.91872e+01 1.22213e+01 8.17433e+01 279.697 1.28453e+00  -7.51710e+00 0.00000e+00 0.00000e+00 6.69356e+01 279.697 1.48077e+01 99.697  0.9319 
1 1 1 20 14 15 o 11 4.98908e+01 1.19209e+01 7.88064e+01 24.628  5.69612e+00  2.61127e+00  0.00000e+00 0.00000e+00 4.42659e+01 24.628  3.45404e+01 204.628 0.9163 
1 1 1 20 14 16 o 13 1.41212e+02 6.12557e+00 1.75008e+02 61.140  2.42754e+01  4.40467e+01  0.00000e+00 0.00000e+00 2.00855e+02 61.140  2.58468e+01 61.140  0.9900 
1 1 1 20 14 17 o 8  4.34666e+01 1.17840e+01 6.57858e+01 74.245  1.23070e+00  4.36238e+00  0.00000e+00 0.00000e+00 3.70562e+01 74.245  2.87296e+01 254.245 0.8813 
1 1 1 20 14 18 o 17 9.50047e+01 8.13679e+00 9.98212e+01 132.669 -1.21032e+01 1.31304e+01  0.00000e+00 0.00000e+00 1.47619e+02 132.669 4.77978e+01 132.669 0.9716 
1 1 1 20 14 19 o 10 5.71378e+01 1.08292e+01 6.43780e+01 124.262 -3.43315e+00 5.04005e+00  0.00000e+00 0.00000e+00 7.53728e+01 124.262 1.09949e+01 124.262 0.9139 
1 1 1 20 14 20 o 5  3.66537e+01 1.11468e+01 7.33447e+01 109.987 -1.61488e+00 4.44008e+00  0.00000e+00 0.00000e+00 1.34826e+01 109.987 5.98621e+01 289.987 0.8866 
1 1 1 20 14 21 o 14 6.13405e+01 1.19858e+01 8.59764e+01 27.068  7.84733e+00  4.01008e+00  0.00000e+00 0.00000e+00 6.80469e+01 27.068  1.79295e+01 207.068 0.9414 
1 1 1 20 14 22 f 0  6.30289e+01 1.17505e+01 8.54890e+01 346.420 9.43653e+00  -2.27947e+00 0.00000e+00 0.00000e+00 7.34164e+01 346.420 1.20726e+01 166.420 0.9470 
1 1 1 20 14 23 o 4  6.71442e+01 1.13479e+01 1.05741e+02 5.787   1.35236e+01  1.37058e+00  0.00000e+00 0.00000e+00 6.59730e+01 5.787   3.97678e+01 185.787 0.9625 
1 1 1 20 14 24 o 19 4.88617e+01 1.19226e+01 1.98401e+01 286.597 5.09485e-01  -1.70936e+00 0.00000e+00 0.00000e+00 6.55249e+01 286.597 4.56848e+01 286.597 0.6589 
1 1 1 20 14 25 o 17 4.05436e+01 1.15410e+01 3.33596e+01 4.798   2.68059e+00  2.25011e-01  0.00000e+00 0.00000e+00 5.07686e+01 4.798   1.74090e+01 4.798   0.7842 
1 1 1 20 14 26 o 17 3.21260e+01 1.01613e+01 2.04546e+01 74.983  3.66055e-01  1.36450e+00  0.00000e+00 0.00000e+00 2.82172e+01 74.983  7.76264e+00 74.983  0.5738 
1 1 1 20 14 27 o 13 4.63698e+01 1.18284e+01 1.99424e+01 134.290 -1.34403e+00 1.37775e+00  0.00000e+00 0.00000e+00 6.37325e+01 134.290 4.37901e+01 134.290 0.6850 
1 1 1 20 14 28 o 19 4.22963e+01 1.19143e+01 7.31503e+01 103.879 -1.57822e+00 6.38717e+00  0.00000e+00 0.00000e+00 2.91691e+01 103.879 4.39812e+01 283.879 0.9205 
1 1 1 20 14 29 o 14 5.12947e+01 1.17814e+01 4.07973e+01 198.794 -4.22217e+00 -1.43687e+00 0.00000e+00 0.00000e+00 7.74227e+01 198.794 3.66253e+01 198.794 0.8791 
1 1 1 20 14 30 o 13 7.63808e+01 1.12579e+01 6.33007e+01 271.947 3.55958e-01  -1.04686e+01 0.00000e+00 0.00000e+00 1.26639e+02 271.947 6.33388e+01 271.947 0.9510 
1 1 1 20 14 31 o 11 3.50298e+01 1.12787e+01 1.84239e+01 250.836 -4.99577e-01 -1.43750e+00 0.00000e+00 0.00000e+00 3.65267e+01 250.836 1.81028e+01 250.836 0.6015 
1 1 1 20 15 0  o 7  2.36799e+01 1.60065e+01 4.32452e+00 180.000 -8.50342e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.15868e+00 180.000 3.16584e+00 0.000   0.0848 
1 1 1 20 15 1  o 3  7.96890e+01 1.08946e+01 8.95950e+01 69.617  4.21926e+00  1.13553e+01  0.00000e+00 0.00000e+00 1.18737e+02 69.617  2.91419e+01 69.617  0.9578 
1 1 1 20 15 2  o 5  6.17173e+01 1.15646e+01 1.37854e+02 259.983 -2.42524e+00 -1.37301e+01 0.00000e+00 0.00000e+00 2.44254e+01 259.983 1.13429e+02 79.983  0.9634 
1 1 1 20 15 3  o 8  4.35602e+01 1.22106e+01 4.24812e+01 20.975  2.73550e+00  1.04872e+00  0.00000e+00 0.00000e+00 5.31568e+01 20.975  1.06757e+01 20.975  0.8046 
1 1 1 20 15 4  o 6  4.78169e+01 1.28198e+01 3.70676e+01 20.780  2.53737e+00  9.62834e-01  0.00000e+00 0.00000e+00 6.55036e+01 20.780  2.84359e+01 20.780  0.7864 
1 1 1 20 15 5  o 15 5.29291e+01 1.32715e+01 6.40770e+01 284.755 1.28916e+00  -4.89496e+00 0.00000e+00 0.00000e+00 6.50617e+01 284.755 9.84733e-01 284.755 0.8948 
1 1 1 20 15 6  o 4  3.73410e+01 1.17559e+01 3.41225e+01 127.328 -1.24747e+00 1.63588e+00  0.00000e+00 0.00000e+00 3.78239e+01 127.328 3.70141e+00 127.328 0.7070 
1 1 1 20 15 7  o 3  1.09428e+02 9.50935e+00 1.27788e+02 277.368 3.22796e+00  -2.49636e+01 0.00000e+00 0.00000e+00 1.64298e+02 277.368 3.65102e+01 277.368 0.9799 
1 1 1 20 15 8  o 4  5.98070e+01 1.19435e+01 1.27090e+02 167.648 -1.17934e+01 2.58253e+00  0.00000e+00 0.00000e+00 2.88158e+01 167.648 9.82744e+01 347.648 0.9576 
1 1 1 20 15 9  o 2  5.14457e+01 1.25716e+01 8.50106e+01 58.714  3.48248e+00  5.73081e+00  0.00000e+00 0.00000e+00 4.40257e+01 58.714  4.09849e+01 238.714 0.9221 
1 1 1 20 15 10 o 15 4.79539e+01 1.21693e+01 1.71658e+01 110.570 -4.51572e-01 1.20331e+00  0.00000e+00 0.00000e+00 5.30052e+01 110.570 3.58394e+01 110.570 0.5384 
1 1 1 20 15 11 o 1  3.45865e+01 1.06754e+01 4.45425e+01 214.980 -2.13807e+00 -1.49600e+00 0.00000e+00 0.00000e+00 2.83747e+01 214.980 1.61678e+01 34.980  0.7764 
1 1 1 20 15 12 o 8  6.32073e+01 1.19774e+01 1.13632e+02 21.595  1.05561e+01  4.17843e+00  0.00000e+00 0.00000e+00 5.00981e+01 21.595  6.35336e+01 201.595 0.9549 
1 1 1 20 15 13 o 11 4.50655e+01 1.20872e+01 6.29377e+01 126.078 -2.61534e+00 3.58948e+00  0.00000e+00 0.00000e+00 4.43532e+01 126.078 1.85845e+01 306.078 0.8786 
1 1 1 20 15 14 o 5  8.70358e+01 9.65301e+00 1.05910e+02 119.868 -8.77779e+00 1.52848e+01  0.00000e+00 0.00000e+00 1.22882e+02 119.868 1.69716e+01 119.868 0.9712 
1 1 1 20 15 15 f 0  4.65556e+01 1.22881e+01 7.30861e+01 178.750 -5.63531e+00 1.22931e-01  0.00000e+00 0.00000e+00 4.09760e+01 178.750 3.21101e+01 358.750 0.9063 
1 1 1 20 15 16 o 13 4.96825e+01 1.23836e+01 3.77287e+01 92.967  -1.70062e-01 3.28094e+00  0.00000e+00 0.00000e+00 7.34686e+01 92.967  3.57398e+01 92.967  0.8291 
1 1 1 20 15 17 o 4  3.81017e+01 1.15286e+01 2.74298e+01 16.775  1.83436e+00  5.52944e-01  0.00000e+00 0.00000e+00 4.27724e+01 16.775  1.53426e+01 16.775  0.6835 
1 1 1 20 15 18 f 0  7.56929e+01 1.06150e+01 8.14412e+01 15.483  1.19419e+01  3.30789e+00  0.00000e+00 0.00000e+00 1.13903e+02 15.483  3.24616e+01 15.483  0.9588 
1 1 1 20 15 19 o 11 4.91388e+01 1.20874e+01 8.11391e+01 82.353  9.73351e-01  7.24946e+00  0.00000e+00 0.00000e+00 4.15283e+01 82.353  3.96108e+01 262.353 0.9289 
1 1 1 20 15 20 o 2  4.23644e+01 1.20546e+01 7.23574e+01 301.954 3.14997e+00  -5.04993e+00 0.00000e+00 0.00000e+00 3.12566e+01 301.954 4.11008e+01 121.954 0.9116 
1 1 1 20 15 21 o 14 4.39153e+01 1.19315e+01 2.90708e+01 237.935 -1.31933e+00 -2.10603e+00 0.00000e+00 0.00000e+00 6.07125e+01 237.935 3.16417e+01 237.935 0.7634 
1 1 1 20 15 22 o 18 3.12765e+01 1.01200e+01 6.21075e+01 233.633 -2.49521e+00 -3.38846e+00 0.00000e+00 0.00000e+00 1.07223e+01 233.633 5.13852e+01 53.633  0.8711 
1 1 1 20 15 23 o 13 3.27568e+01 1.05076e+01 3.33984e+01 1.210   2.49017e+00  5.25755e-02  0.00000e+00 0.00000e+00 3.33713e+01 1.210   2.70268e-02 181.210 0.7640 
1 1 1 20 15 24 o 10 4.23904e+01 1.18892e+01 6.87931e+01 277.314 7.68380e-01  -5.98626e+00 0.00000e+00 0.00000e+00 3.42472e+01 277.314 3.45459e+01 97.314  0.9129 
1 1 1 20 15 25 o 7  7.52673e+01 1.10980e+01 8.76609e+01 34.796  1.21527e+01  8.44498e+00  0.00000e+00 0.00000e+00 1.05447e+02 34.796  1.77859e+01 34.796  0.9656 
1 1 1 20 15 26 o 9  5.01424e+01 1.14688e+01 4.01848e+01 105.544 -1.16241e+00 4.17897e+00  0.00000e+00 0.00000e+00 7.61823e+01 105.544 3.59975e+01 105.544 0.8754 
1 1 1 20 15 27 f 0  5.37649e+01 1.25298e+01 1.05407e+02 271.329 2.85520e-01  -1.23050e+01 0.00000e+00 0.00000e+00 3.09030e+01 271.329 7.45037e+01 91.329  0.9585 
1 1 1 20 15 28 o 14 4.79467e+01 2.36173e+01 2.87410e+01 186.254 -1.38122e+00 -1.51376e-01 0.00000e+00 0.00000e+00 4.30751e+01 186.254 1.43341e+01 186.254 0.5676 
1 1 1 20 16 0  o 10 6.31690e+01 2.24270e+01 1.05302e+02 0.000   4.51174e+00  0.00000e+00  0.00000e+00 0.00000e+00 6.78463e+01 0.000   3.74557e+01 180.000 0.9998 
1 1 1 20 16 1  o 7  3.94018e+01 1.19342e+01 4.63253e+01 309.618 1.98034e+00  -2.39227e+00 0.00000e+00 0.00000e+00 4.19833e+01 309.618 4.34203e+00 129.618 0.8175 
1 1 1 20 16 2  o 8  3.60682e+01 1.13922e+01 3.90205e+01 36.195  1.99027e+00  1.45640e+00  0.00000e+00 0.00000e+00 3.62473e+01 36.195  2.77310e+00 216.195 0.7613 
1 1 1 20 16 3  o 14 5.01023e+01 1.18712e+01 7.74897e+01 33.268  5.53613e+00  3.63219e+00  0.00000e+00 0.00000e+00 4.89805e+01 33.268  2.85092e+01 213.268 0.9210 
1 1 1 20 16 4  o 10 3.59130e+01 1.10695e+01 3.62442e+01 313.478 1.59439e+00  -1.68140e+00 0.00000e+00 0.00000e+00 3.69177e+01 313.478 6.73505e-01 313.478 0.7436 
1 1 1 20 16 5  o 15 9.09084e+01 9.27433e+00 1.25508e+02 76.271  5.28365e+00  2.16274e+01  0.00000e+00 0.00000e+00 1.17808e+02 76.271  7.69995e+00 256.271 0.9773 
1 1 1 20 16 6  o 2  4.73480e+01 1.22607e+01 3.97185e+01 285.022 8.10439e-01  -3.01984e+00 0.00000e+00 0.00000e+00 6.64253e+01 285.022 2.67068e+01 285.022 0.8189 
1 1 1 20 16 7  o 1  1.18546e+02 7.01924e+00 1.24960e+02 254.070 -9.54541e+00 -3.34419e+01 0.00000e+00 0.00000e+00 1.94674e+02 254.070 6.97140e+01 254.070 0.9855 
1 1 1 20 16 8  o 6  3.36017e+01 1.06876e+01 4.49418e+01 35.470  2.38363e+00  1.69837e+00  0.00000e+00 0.00000e+00 2.89618e+01 35.470  1.59800e+01 215.470 0.8044 
1 1 1 20 16 9  o 18 4.01511e+01 1.15729e+01 3.19548e+01 177.570 -2.35553e+00 9.99691e-02  0.00000e+00 0.00000e+00 5.01634e+01 177.570 1.82085e+01 177.570 0.7486 
1 1 1 20 16 10 o 4  6.06617e+01 1.26606e+01 7.35836e+01 259.117 -1.44903e+00 -7.53652e+00 0.00000e+00 0.00000e+00 8.08167e+01 259.117 7.23305e+00 259.117 0.9324 
1 1 1 20 16 11 o 14 1.11157e+02 7.74837e+00 1.25361e+02 107.912 -1.01254e+01 3.13263e+01  0.00000e+00 0.00000e+00 1.73170e+02 107.912 4.78089e+01 107.912 0.9847 
1 1 1 20 16 12 f 0  4.76864e+01 1.26337e+01 3.14203e+01 29.466  2.32684e+00  1.31463e+00  0.00000e+00 0.00000e+00 7.02554e+01 29.466  3.88351e+01 29.466  0.7825 
1 1 1 20 16 13 o 11 5.52456e+01 1.30357e+01 6.47196e+01 123.544 -3.42767e+00 5.16994e+00  0.00000e+00 0.00000e+00 7.29262e+01 123.544 8.20662e+00 123.544 0.9154 
1 1 1 20 16 14 o 2  3.85317e+01 1.17897e+01 4.36394e+01 328.059 2.82637e+00  -1.76205e+00 0.00000e+00 0.00000e+00 4.34879e+01 328.059 1.51429e-01 148.059 0.8317 
1 1 1 20 16 15 o 10 4.63798e+01 1.22728e+01 7.56132e+00 342.113 6.38764e-01  -2.06159e-01 0.00000e+00 0.00000e+00 3.24875e+01 342.113 2.49262e+01 342.113 0.3180 
1 1 1 20 16 16 o 18 4.07583e+01 1.11778e+01 2.30608e+01 168.043 -1.88364e+00 3.98896e-01  0.00000e+00 0.00000e+00 5.26603e+01 168.043 2.95995e+01 168.043 0.6851 
1 1 1 20 16 17 o 12 6.02985e+01 1.26137e+01 9.84649e+01 254.528 -2.95199e+00 -1.06649e+01 0.00000e+00 0.00000e+00 5.72453e+01 254.528 4.12197e+01 74.528  0.9537 
1 1 1 20 16 18 o 19 5.24327e+01 1.26071e+01 1.00113e+02 5.597   1.03875e+01  1.01791e+00  0.00000e+00 0.00000e+00 3.46739e+01 5.597   6.54391e+01 185.597 0.9508 
1 1 1 20 16 19 o 17 6.03063e+01 1.23514e+01 6.69156e+01 164.812 -7.84646e+00 2.13006e+00  0.00000e+00 0.00000e+00 8.55042e+01 164.812 1.85886e+01 164.812 0.9363 
1 1 1 20 16 20 o 9  6.09198e+01 1.20367e+01 6.10080e+01 166.390 -7.64527e+00 1.85106e+00  0.00000e+00 0.00000e+00 9.23376e+01 166.390 3.13296e+01 166.390 0.9341 
1 1 1 20 16 21 o 2  3.66072e+01 1.13006e+01 3.85300e+01 343.660 2.99775e+00  -8.78896e-01 0.00000e+00 0.00000e+00 4.20956e+01 343.660 3.56556e+00 343.660 0.8187 
1 1 1 20 16 22 o 3  5.79126e+01 1.23090e+01 8.95145e+01 102.705 -2.32429e+00 1.03093e+01  0.00000e+00 0.00000e+00 5.84329e+01 102.705 3.10816e+01 282.705 0.9514 
1 1 1 20 16 23 o 11 6.27011e+01 1.24268e+01 7.78733e+01 235.559 -6.04755e+00 -8.81864e+00 0.00000e+00 0.00000e+00 8.20944e+01 235.559 4.22116e+00 235.559 0.9520 
1 1 1 20 16 24 o 19 5.13092e+01 2.47764e+01 7.08415e+01 208.583 -2.97434e+00 -1.62055e+00 0.00000e+00 0.00000e+00 4.37368e+01 208.583 2.71047e+01 28.583  0.8350 
1 1 1 20 17 0  o 17 2.37621e+01 1.60421e+01 4.42224e+01 0.000   1.07173e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.49409e+00 0.000   3.67283e+01 180.000 0.7901 
1 1 1 20 17 1  o 2  3.29091e+01 1.05283e+01 1.90949e+01 54.127  7.90617e-01  1.09329e+00  0.00000e+00 0.00000e+00 3.13580e+01 54.127  1.22631e+01 54.127  0.5566 
1 1 1 20 17 2  o 13 4.24497e+01 1.14716e+01 3.04198e+01 287.422 7.81841e-01  -2.49144e+00 0.00000e+00 0.00000e+00 6.03703e+01 287.422 2.99504e+01 287.422 0.7766 
1 1 1 20 17 3  o 9  3.73195e+01 1.13331e+01 5.98738e+01 268.342 -1.31779e-01 -4.55370e+00 0.00000e+00 0.00000e+00 3.07546e+01 268.342 2.91192e+01 88.342  0.8819 
1 1 1 20 17 4  o 6  3.50844e+01 1.09064e+01 2.94273e+01 155.478 -1.96562e+00 8.96693e-01  0.00000e+00 0.00000e+00 4.03438e+01 155.478 1.09165e+01 155.478 0.7224 
1 1 1 20 17 5  o 6  6.25869e+01 1.25605e+01 7.82403e+01 279.166 1.46667e+00  -9.08964e+00 0.00000e+00 0.00000e+00 8.43350e+01 279.166 6.09474e+00 279.166 0.9440 
1 1 1 20 17 6  o 6  8.22070e+01 1.07894e+01 8.41115e+01 279.986 2.52841e+00  -1.43600e+01 0.00000e+00 0.00000e+00 1.34087e+02 279.986 4.99756e+01 279.986 0.9651 
1 1 1 20 17 7  o 2  5.51198e+01 1.32093e+01 7.88550e+01 52.498  4.76892e+00  6.21446e+00  0.00000e+00 0.00000e+00 6.26266e+01 52.498  1.62284e+01 232.498 0.9338 
1 1 1 20 17 8  o 15 7.37719e+01 1.11505e+01 4.83629e+01 294.937 3.08955e+00  -6.64468e+00 0.00000e+00 0.00000e+00 1.39904e+02 294.937 9.15412e+01 294.937 0.9290 
1 1 1 20 17 9  o 10 4.78123e+01 1.23433e+01 6.31692e+01 118.381 -2.72717e+00 5.04770e+00  0.00000e+00 0.00000e+00 5.60099e+01 118.381 7.15921e+00 298.381 0.9081 
1 1 1 20 17 10 f 0  5.23893e+01 1.25929e+01 6.71824e+01 35.009  5.37701e+00  3.76623e+00  0.00000e+00 0.00000e+00 6.50590e+01 35.009  2.12331e+00 215.009 0.9203 
1 1 1 20 17 11 o 14 5.32694e+01 1.14503e+01 9.95709e+01 307.335 6.92390e+00  -9.07728e+00 0.00000e+00 0.00000e+00 3.98530e+01 307.335 5.97179e+01 127.335 0.9551 
1 1 1 20 17 12 o 4  3.92997e+01 1.10685e+01 6.55214e+01 209.963 -4.91266e+00 -2.83207e+00 0.00000e+00 0.00000e+00 3.20483e+01 209.963 3.34731e+01 29.963  0.9069 
1 1 1 20 17 13 o 14 3.47482e+01 1.08672e+01 6.33671e+01 227.641 -3.41793e+00 -3.74848e+00 0.00000e+00 0.00000e+00 2.16814e+01 227.641 4.16857e+01 47.641  0.8950 
1 1 1 20 17 14 o 2  3.13048e+01 1.01456e+01 1.09048e+01 271.150 1.65233e-02  -8.22876e-01 0.00000e+00 0.00000e+00 2.16045e+01 271.150 1.06997e+01 271.150 0.3802 
1 1 1 20 17 15 o 13 3.38869e+01 1.05636e+01 1.07955e+01 101.465 -1.69840e-01 8.37421e-01  0.00000e+00 0.00000e+00 2.54845e+01 101.465 1.46890e+01 101.465 0.3925 
1 1 1 20 17 16 o 7  4.88357e+01 1.22611e+01 2.77212e+01 334.157 2.50054e+00  -1.21113e+00 0.00000e+00 0.00000e+00 7.76725e+01 334.157 4.99513e+01 334.157 0.7922 
1 1 1 20 17 17 o 4  3.73964e+01 1.13713e+01 1.35684e+01 147.333 -9.27803e-01 5.94893e-01  0.00000e+00 0.00000e+00 3.54084e+01 147.333 2.18400e+01 147.333 0.4814 
1 1 1 20 17 18 f 0  6.57391e+01 1.23504e+01 8.75292e+01 223.550 -9.18498e+00 -8.73134e+00 0.00000e+00 0.00000e+00 8.38446e+01 223.550 3.68456e+00 43.550  0.9597 
1 1 1 20 17 19 o 9  4.32513e+01 2.16149e+01 4.02573e+01 163.999 -1.89681e+00 5.43931e-01  0.00000e+00 0.00000e+00 4.10699e+01 163.999 8.12563e-01 163.999 0.6933 
1 1 1 20 18 0  o 12 2.56724e+01 1.71260e+01 4.17577e+01 0.000   1.12806e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.58340e+01 0.000   2.59238e+01 180.000 0.8104 
1 1 1 20 18 1  o 2  3.47783e+01 1.10575e+01 3.46895e+01 129.963 -1.75527e+00 2.09460e+00  0.00000e+00 0.00000e+00 4.11850e+01 129.963 6.49548e+00 129.963 0.7881 
1 1 1 20 18 2  o 8  2.62762e+01 9.03419e+00 2.96666e+01 62.554  9.32355e-01  1.79517e+00  0.00000e+00 0.00000e+00 2.13518e+01 62.554  8.31481e+00 242.554 0.7015 
1 1 1 20 18 3  o 15 7.26990e+01 1.12033e+01 6.53138e+01 96.876  -1.26047e+00 1.04533e+01  0.00000e+00 0.00000e+00 1.26057e+02 96.876  6.07430e+01 96.876  0.9513 
1 1 1 20 18 4  o 15 2.95845e+01 9.81361e+00 2.39959e+01 254.557 -4.60015e-01 -1.66516e+00 0.00000e+00 0.00000e+00 2.90023e+01 254.557 5.00642e+00 254.557 0.6476 
1 1 1 20 18 5  o 8  5.62934e+01 1.17363e+01 6.43002e+01 295.125 3.27893e+00  -6.99185e+00 0.00000e+00 0.00000e+00 8.09104e+01 295.125 1.66102e+01 295.125 0.9328 
1 1 1 20 18 6  o 1  3.01231e+01 9.95474e+00 2.58260e+01 85.030  1.62051e-01  1.86358e+00  0.00000e+00 0.00000e+00 3.04035e+01 85.030  4.57745e+00 85.030  0.6753 
1 1 1 20 18 7  o 4  5.26390e+01 1.25302e+01 6.13007e+01 317.190 4.76704e+00  -4.41588e+00 0.00000e+00 0.00000e+00 7.24022e+01 317.190 1.11014e+01 317.190 0.9195 
1 1 1 20 18 8  o 16 3.16335e+01 1.02905e+01 7.21373e+01 8.273   5.29106e+00  7.69346e-01  0.00000e+00 0.00000e+00 6.53413e+00 8.273   6.56031e+01 188.273 0.9008 
1 1 1 20 18 9  o 15 4.54335e+01 1.22711e+01 1.65048e+01 240.244 -8.26504e-01 -1.44576e+00 0.00000e+00 0.00000e+00 6.30118e+01 240.244 4.65070e+01 240.244 0.6344 
1 1 1 20 18 10 o 14 2.94910e+01 9.84403e+00 2.51350e+01 118.252 -9.30385e-01 1.73135e+00  0.00000e+00 0.00000e+00 3.11194e+01 118.252 5.98441e+00 118.252 0.6920 
1 1 1 20 18 11 o 12 6.41201e+01 1.71427e+01 7.36765e+01 191.837 -7.12069e+00 -1.49240e+00 0.00000e+00 0.00000e+00 9.02766e+01 191.837 1.66001e+01 191.837 0.9285 
1 1 1 21 0  1  o 14 8.89418e+01 1.96023e+01 1.17308e+02 315.000 2.64435e+00  -2.64435e+00 0.00000e+00 0.00000e+00 1.18926e+02 315.000 1.61821e+00 315.000 0.9989 
1 1 1 21 0  2  o 6  2.42088e+02 7.17954e+00 2.67821e+02 180.000 -2.75931e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.75820e+02 180.000 1.07999e+02 180.000 1.0000 
1 1 1 21 0  3  o 5  4.85853e+01 2.25954e+01 1.10056e+01 45.000  1.27593e-01  1.27593e-01  0.00000e+00 0.00000e+00 1.20483e+01 45.000  1.04271e+00 45.000  0.1785 
1 1 1 21 0  4  o 12 6.78340e+01 2.20670e+01 1.57655e+02 90.000  2.22986e-16  3.64164e+00  0.00000e+00 0.00000e+00 2.23544e+01 90.000  1.35301e+02 270.000 0.9986 
1 1 1 21 0  5  f 0  2.18476e+02 7.37021e+00 2.06897e+02 135.000 -1.34964e+01 1.34964e+01  0.00000e+00 0.00000e+00 3.73438e+02 135.000 1.66541e+02 135.000 1.0000 
1 1 1 21 0  6  o 8  2.94549e+01 1.90678e+01 5.38400e+00 180.000 -5.69109e-02 0.00000e+00  0.00000e+00 0.00000e+00 9.38159e-01 0.000   6.32216e+00 0.000   0.0568 
1 1 1 21 0  7  o 15 7.38869e+01 2.01380e+01 8.00042e+01 225.000 -1.46601e+00 -1.46601e+00 0.00000e+00 0.00000e+00 1.09951e+02 225.000 2.99472e+01 225.000 0.9689 
1 1 1 21 0  8  o 6  2.23567e+02 7.93505e+00 2.25863e+02 90.000  1.25274e-15  2.04587e+01  0.00000e+00 0.00000e+00 3.66997e+02 90.000  1.41134e+02 90.000  1.0000 
1 1 1 21 0  9  o 10 2.83297e+01 1.85707e+01 5.19973e+01 135.000 -3.64959e-01 3.64959e-01  0.00000e+00 0.00000e+00 1.63608e+01 315.000 6.83581e+01 315.000 0.4747 
1 1 1 21 0  10 o 4  5.57855e+01 2.36102e+01 7.75314e+01 0.000   1.37346e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.23711e+01 0.000   2.51603e+01 180.000 0.8795 
1 1 1 21 0  11 o 11 6.78085e+01 2.00883e+01 9.63795e+01 45.000  1.91166e+00  1.91166e+00  0.00000e+00 0.00000e+00 8.13935e+01 45.000  1.49861e+01 225.000 0.9911 
1 1 1 21 0  12 o 2  4.14908e+01 2.15034e+01 4.04589e+01 90.000  4.09979e-17  6.69547e-01  0.00000e+00 0.00000e+00 2.36499e+01 90.000  1.68090e+01 270.000 0.5847 
1 1 1 21 0  13 o 13 3.20853e+01 1.95523e+01 7.11564e+01 135.000 -6.68621e-01 6.68621e-01  0.00000e+00 0.00000e+00 8.66691e+00 315.000 7.98234e+01 315.000 0.7378 
1 1 1 21 0  14 o 17 1.40441e+02 9.55430e+00 1.45945e+02 180.000 -9.05149e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.24366e+02 180.000 7.84205e+01 180.000 1.0000 
1 1 1 21 0  15 o 14 5.99383e+01 2.11607e+01 1.63719e+02 45.000  2.52122e+00  2.52122e+00  0.00000e+00 0.00000e+00 6.12494e+00 225.000 1.69843e+02 225.000 0.9984 
1 1 1 21 0  16 o 16 4.12011e+01 2.16880e+01 9.02192e+01 270.000 -9.75468e-17 -1.59306e+00 0.00000e+00 0.00000e+00 9.53627e+00 270.000 8.06829e+01 90.000  0.9206 
1 1 1 21 0  17 o 17 3.49978e+01 2.03245e+01 1.62165e+01 135.000 -1.76533e-01 1.76533e-01  0.00000e+00 0.00000e+00 6.26469e+00 135.000 9.95178e+00 315.000 0.2446 
1 1 1 21 0  18 o 4  1.01616e+02 1.25566e+01 7.75747e+01 180.000 -4.21524e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.88772e+02 180.000 1.11197e+02 180.000 0.9996 
1 1 1 21 0  19 o 5  8.80253e+01 1.77906e+01 1.04074e+02 225.000 -3.09153e+00 -3.09153e+00 0.00000e+00 0.00000e+00 1.26309e+02 225.000 2.22343e+01 225.000 0.9997 
1 1 1 21 0  20 o 18 2.10875e+02 8.34815e+00 2.59152e+02 270.000 -1.80350e-15 -2.94534e+01 0.00000e+00 0.00000e+00 2.92006e+02 270.000 3.28539e+01 270.000 1.0000 
1 1 1 21 0  21 o 14 4.93404e+01 2.36500e+01 4.39371e+00 135.000 -6.09586e-02 6.09586e-02  0.00000e+00 0.00000e+00 6.67665e+00 135.000 2.28295e+00 135.000 0.0860 
1 1 1 21 0  22 o 5  7.43124e+01 2.20569e+01 4.81261e+01 180.000 -1.67712e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.32334e+02 180.000 8.42078e+01 180.000 0.9325 
1 1 1 21 0  23 o 2  4.46206e+01 2.14976e+01 5.47990e+01 225.000 -8.64645e-01 -8.64645e-01 0.00000e+00 0.00000e+00 4.26764e+01 225.000 1.21227e+01 45.000  0.8405 
1 1 1 21 0  24 o 2  6.23186e+01 2.07541e+01 7.55306e+01 270.000 -1.45896e-16 -2.38266e+00 0.00000e+00 0.00000e+00 8.33865e+01 270.000 7.85584e+00 270.000 0.9831 
1 1 1 21 0  26 o 13 7.56544e+01 1.68113e+01 7.96935e+01 0.000   3.76007e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.15490e+02 0.000   3.57967e+01 0.000   0.9989 
1 1 1 21 0  27 o 13 7.22507e+01 1.76244e+01 1.29441e+02 225.000 -4.09829e+00 -4.09829e+00 0.00000e+00 0.00000e+00 5.67336e+01 225.000 7.27078e+01 45.000  1.0000 
1 1 1 21 0  28 o 18 3.39889e+01 1.96659e+01 1.01925e+01 90.000  1.22765e-17  2.00490e-01  0.00000e+00 0.00000e+00 7.09455e+00 90.000  3.09799e+00 270.000 0.1978 
1 1 1 21 0  29 o 18 1.11768e+02 1.16690e+01 1.46255e+02 315.000 7.83284e+00  -7.83284e+00 0.00000e+00 0.00000e+00 1.40364e+02 315.000 5.89107e+00 135.000 1.0000 
1 1 1 21 0  30 o 9  1.64609e+01 1.20855e+01 1.97423e+01 180.000 -2.30096e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.02215e+01 0.000   2.99639e+01 0.000   0.2261 
1 1 1 21 0  31 o 12 1.06527e+02 1.19902e+01 1.63850e+02 45.000  9.03682e+00  9.03682e+00  0.00000e+00 0.00000e+00 1.07919e+02 45.000  5.59316e+01 225.000 1.0000 
1 1 1 21 0  32 o 18 5.09193e+01 2.08343e+01 1.22384e+01 270.000 -2.39430e-17 -3.91018e-01 0.00000e+00 0.00000e+00 3.59856e+01 270.000 2.37472e+01 270.000 0.3722 
1 1 1 21 0  33 o 9  2.87550e+01 1.79556e+01 3.22494e+01 135.000 -4.52086e-01 4.52086e-01  0.00000e+00 0.00000e+00 8.93039e+00 135.000 2.33190e+01 315.000 0.5645 
1 1 1 21 0  34 o 13 3.25264e+01 1.93617e+01 1.51476e+02 180.000 -3.17985e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.94747e+01 0.000   2.20951e+02 0.000   0.9965 
1 1 1 21 0  35 o 11 2.17908e+01 1.49743e+01 7.70047e+01 225.000 -9.80696e-01 -9.80696e-01 0.00000e+00 0.00000e+00 2.85008e+01 45.000  1.05506e+02 45.000  0.8825 
1 1 1 21 0  36 o 13 8.66507e+01 1.30956e+01 1.06155e+02 90.000  4.84740e-16  7.91641e+00  0.00000e+00 0.00000e+00 1.11735e+02 90.000  5.57937e+00 90.000  1.0000 
1 1 1 21 0  37 o 18 8.71777e+01 1.32980e+01 1.34208e+02 315.000 7.05874e+00  -7.05874e+00 0.00000e+00 0.00000e+00 8.43175e+01 315.000 4.98906e+01 135.000 1.0000 
1 1 1 21 0  38 o 9  3.04262e+01 1.84829e+01 8.87234e+01 0.000   2.08882e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.49976e+01 180.000 1.03721e+02 180.000 0.9698 
1 1 1 21 0  39 o 7  2.39234e+01 1.60735e+01 2.57078e+01 45.000  3.89067e-01  3.89067e-01  0.00000e+00 0.00000e+00 4.12121e+00 45.000  2.15866e+01 225.000 0.5007 
1 1 1 21 0  40 o 3  3.39186e+01 2.02926e+01 7.11577e+01 90.000  1.16370e-16  1.90047e+00  0.00000e+00 0.00000e+00 9.34145e+00 90.000  6.18163e+01 270.000 0.9563 
1 1 1 21 0  41 o 4  2.31427e+01 1.57823e+01 3.14543e+01 315.000 5.10645e-01  -5.10645e-01 0.00000e+00 0.00000e+00 3.93133e+00 315.000 2.75230e+01 135.000 0.6182 
1 1 1 21 0  42 o 9  3.75277e+01 2.05982e+01 3.46968e+01 180.000 -1.12496e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.01462e+01 180.000 5.44931e+00 180.000 0.8093 
1 1 1 21 0  43 o 10 2.59403e+01 1.69877e+01 3.01174e+00 45.000  5.71706e-02  5.71706e-02  0.00000e+00 0.00000e+00 2.12659e+00 45.000  8.85147e-01 225.000 0.0807 
1 1 1 21 0  44 o 11 2.43918e+01 1.62697e+01 5.39205e+01 270.000 -8.40727e-17 -1.37301e+00 0.00000e+00 0.00000e+00 1.45269e+00 90.000  5.53732e+01 90.000  0.8794 
1 1 1 21 1  0  o 11 2.79047e+01 1.82060e+01 9.46538e+01 180.000 -9.70050e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.90882e+01 0.000   1.33742e+02 0.000   0.7487 
1 1 1 21 1  1  o 12 6.45423e+01 1.37640e+01 7.45015e+01 79.983  6.00280e-01  3.39856e+00  0.00000e+00 0.00000e+00 6.94251e+01 79.983  5.07640e+00 259.983 0.8385 
1 1 1 21 1  2  o 12 3.96095e+01 1.20301e+01 4.08506e+01 7.555   1.20164e+00  1.59366e-01  0.00000e+00 0.00000e+00 1.35532e+01 7.555   2.72974e+01 187.555 0.5165 
1 1 1 21 1  3  o 12 4.74016e+01 1.27639e+01 5.37018e+01 171.171 -1.84850e+00 2.87112e-01  0.00000e+00 0.00000e+00 3.14039e+01 171.171 2.22979e+01 351.171 0.6753 
1 1 1 21 1  4  o 3  4.63680e+01 1.27511e+01 3.41000e+01 30.250  1.00227e+00  5.84511e-01  0.00000e+00 0.00000e+00 2.75530e+01 30.250  6.54699e+00 210.250 0.5003 
1 1 1 21 1  5  o 4  1.13526e+02 8.10336e+00 1.66494e+02 242.979 -6.94139e+00 -1.36108e+01 0.00000e+00 0.00000e+00 1.25065e+02 242.979 4.14289e+01 62.979  0.9667 
1 1 1 21 1  6  o 17 5.19299e+01 1.32286e+01 1.00331e+02 18.575  3.56295e+00  1.19732e+00  0.00000e+00 0.00000e+00 1.73713e+01 18.575  8.29593e+01 198.575 0.8536 
1 1 1 21 1  7  o 19 6.30125e+01 1.34397e+01 5.92438e+01 25.046  2.36768e+00  1.10637e+00  0.00000e+00 0.00000e+00 7.06592e+01 25.046  1.14154e+01 25.046  0.7768 
1 1 1 21 1  8  o 18 1.89419e+02 6.22002e+00 2.06528e+02 359.146 3.14047e+01  -4.68134e-01 0.00000e+00 0.00000e+00 2.87787e+02 359.146 8.12585e+01 359.146 0.9839 
1 1 1 21 1  9  o 17 1.28872e+02 7.87035e+00 1.88316e+02 49.267  1.23474e+01  1.43384e+01  0.00000e+00 0.00000e+00 1.44076e+02 49.267  4.42402e+01 229.267 0.9732 
1 1 1 21 1  10 o 15 7.63830e+01 1.15792e+01 4.39674e+01 333.190 2.16418e+00  -1.09368e+00 0.00000e+00 0.00000e+00 1.09063e+02 333.190 6.50953e+01 333.190 0.7566 
1 1 1 21 1  11 o 2  9.15138e+01 9.42822e+00 1.18471e+02 68.402  3.76210e+00  9.50276e+00  0.00000e+00 0.00000e+00 1.11478e+02 68.402  6.99355e+00 248.402 0.9497 
1 1 1 21 1  12 f 0  5.48689e+01 1.25362e+01 8.44137e+01 184.813 -3.98844e+00 -3.35848e-01 0.00000e+00 0.00000e+00 4.08305e+01 184.813 4.35832e+01 4.813   0.8636 
1 1 1 21 1  13 o 15 6.20071e+01 1.26708e+01 5.09825e+01 233.450 -1.61142e+00 -2.17376e+00 0.00000e+00 0.00000e+00 7.76387e+01 233.450 2.66562e+01 233.450 0.7857 
1 1 1 21 1  14 o 2  5.30069e+01 1.25810e+01 8.71983e+01 351.253 3.56236e+00  -5.48098e-01 0.00000e+00 0.00000e+00 3.11132e+01 351.253 5.60851e+01 171.253 0.8464 
1 1 1 21 1  15 o 13 1.45904e+02 6.62940e+00 1.43634e+02 151.078 -1.60789e+01 8.88410e+00  0.00000e+00 0.00000e+00 2.30044e+02 151.078 8.64101e+01 151.078 0.9724 
1 1 1 21 1  16 o 3  9.97583e+01 8.78213e+00 1.42041e+02 303.574 8.16205e+00  -1.22968e+01 0.00000e+00 0.00000e+00 1.11305e+02 303.574 3.07357e+01 123.574 0.9655 
1 1 1 21 1  17 o 14 1.28392e+02 7.13474e+00 1.36338e+02 96.730  -2.19751e+00 1.86220e+01  0.00000e+00 0.00000e+00 1.91775e+02 96.730  5.54371e+01 96.730  0.9730 
1 1 1 21 1  18 o 4  5.21604e+01 1.31293e+01 5.84454e+01 117.696 -1.33802e+00 2.54903e+00  0.00000e+00 0.00000e+00 5.10765e+01 117.696 7.36887e+00 297.695 0.8006 
1 1 1 21 1  19 o 5  5.19914e+01 1.33041e+01 7.58474e+01 239.512 -1.86376e+00 -3.16555e+00 0.00000e+00 0.00000e+00 3.98245e+01 239.512 3.60229e+01 59.512  0.8497 
1 1 1 21 1  20 o 16 1.99945e+02 6.13845e+00 2.53066e+02 139.573 -4.12968e+01 3.51799e+01  0.00000e+00 0.00000e+00 2.64758e+02 139.573 1.16917e+01 139.573 0.9907 
1 1 1 21 1  21 o 13 6.19519e+01 1.38320e+01 6.28479e+01 327.048 2.85736e+00  -1.85219e+00 0.00000e+00 0.00000e+00 7.22974e+01 327.048 9.44952e+00 327.048 0.8360 
1 1 1 21 1  22 o 7  1.15087e+02 8.84656e+00 9.63831e+01 236.484 -7.18522e+00 -1.08493e+01 0.00000e+00 0.00000e+00 1.91612e+02 236.484 9.52285e+01 236.484 0.9608 
1 1 1 21 1  23 o 14 7.92597e+01 1.14189e+01 6.64457e+01 221.349 -4.54452e+00 -3.99938e+00 0.00000e+00 0.00000e+00 1.21706e+02 221.349 5.52599e+01 221.349 0.9132 
1 1 1 21 1  24 o 14 7.05473e+01 3.20906e+01 1.17636e+02 316.158 2.92670e+00  -2.81068e+00 0.00000e+00 0.00000e+00 4.08049e+01 316.158 7.68310e+01 136.158 0.8657 
1 1 1 21 1  26 o 8  4.70443e+01 1.20953e+01 4.92608e+01 89.397  3.01407e-02  2.86435e+00  0.00000e+00 0.00000e+00 4.78881e+01 89.397  1.37273e+00 269.397 0.7994 
1 1 1 21 1  27 o 15 7.22757e+01 1.11537e+01 8.40350e+01 318.286 5.90514e+00  -5.26379e+00 0.00000e+00 0.00000e+00 9.00287e+01 318.286 5.99369e+00 318.286 0.9345 
1 1 1 21 1  28 o 15 8.31985e+01 1.03777e+01 1.05093e+02 8.713   1.14527e+01  1.75525e+00  0.00000e+00 0.00000e+00 9.93677e+01 8.713   5.72559e+00 188.713 0.9558 
1 1 1 21 1  29 o 14 1.35342e+02 6.91540e+00 1.57669e+02 265.204 -2.50352e+00 -2.98363e+01 0.00000e+00 0.00000e+00 1.83607e+02 265.204 2.59382e+01 265.204 0.9832 
1 1 1 21 1  30 o 13 4.33935e+01 1.21387e+01 2.88021e+01 21.989  1.44498e+00  5.83487e-01  0.00000e+00 0.00000e+00 3.89407e+01 21.989  1.01386e+01 21.989  0.6102 
1 1 1 21 1  31 o 7  9.30719e+01 9.60517e+00 1.17992e+02 151.893 -1.36501e+01 7.29075e+00  0.00000e+00 0.00000e+00 1.11679e+02 151.893 6.31314e+00 331.893 0.9671 
1 1 1 21 1  32 o 16 1.34715e+02 6.66766e+00 1.07921e+02 255.862 -6.14458e+00 -2.43935e+01 0.00000e+00 0.00000e+00 2.27992e+02 255.862 1.20071e+02 255.862 0.9799 
1 1 1 21 1  33 o 18 4.80410e+01 1.20212e+01 8.53341e+01 100.068 -1.01696e+00 5.72781e+00  0.00000e+00 0.00000e+00 2.55282e+01 100.068 5.98059e+01 280.068 0.9094 
1 1 1 21 1  34 o 6  2.94027e+01 9.75591e+00 1.53074e+01 203.360 -6.27291e-01 -2.70939e-01 0.00000e+00 0.00000e+00 8.73281e+00 203.360 6.57459e+00 23.360  0.3231 
1 1 1 21 1  35 o 10 3.87416e+01 1.13853e+01 5.64888e+01 79.393  6.41863e-01  3.42755e+00  0.00000e+00 0.00000e+00 2.56474e+01 79.393  3.08414e+01 259.393 0.8404 
1 1 1 21 1  36 o 16 5.51397e+01 1.25358e+01 1.26617e+02 152.842 -9.25332e+00 4.74700e+00  0.00000e+00 0.00000e+00 5.21000e+00 152.842 1.21407e+02 332.842 0.9506 
1 1 1 21 1  37 o 6  5.96284e+01 1.27264e+01 5.16808e+01 268.837 -9.21118e-02 -4.53911e+00 0.00000e+00 0.00000e+00 8.00941e+01 268.837 2.84134e+01 268.837 0.8815 
1 1 1 21 1  38 o 4  3.74645e+01 1.06233e+01 4.70314e+01 97.201  -3.84617e-01 3.04401e+00  0.00000e+00 0.00000e+00 2.92608e+01 97.201  1.77705e+01 277.201 0.8149 
1 1 1 21 1  39 o 1  4.63842e+01 1.20537e+01 6.41915e+01 281.933 1.06254e+00  -5.02776e+00 0.00000e+00 0.00000e+00 3.93786e+01 281.933 2.48129e+01 101.933 0.8965 
1 1 1 21 1  40 o 4  4.24846e+01 1.17596e+01 7.22258e+01 242.628 -2.72762e+00 -5.26839e+00 0.00000e+00 0.00000e+00 2.38742e+01 242.628 4.83516e+01 62.628  0.9113 
1 1 1 21 1  41 o 4  3.51987e+01 1.10142e+01 2.59386e+01 66.758  7.19998e-01  1.67650e+00  0.00000e+00 0.00000e+00 3.21120e+01 66.758  6.17342e+00 66.758  0.6668 
1 1 1 21 1  42 o 18 2.97933e+01 9.85674e+00 2.75302e+01 12.970  1.82741e+00  4.20884e-01  0.00000e+00 0.00000e+00 2.21226e+01 12.970  5.40766e+00 192.970 0.6762 
1 1 1 21 1  43 o 8  5.05317e+01 1.22602e+01 5.22901e+01 175.078 -5.36311e+00 4.61861e-01  0.00000e+00 0.00000e+00 5.95835e+01 175.078 7.29340e+00 175.078 0.9016 
1 1 1 21 1  44 o 11 3.82759e+01 1.13676e+01 4.82398e+01 96.114  -4.55838e-01 4.25540e+00  0.00000e+00 0.00000e+00 3.35529e+01 96.114  1.46869e+01 276.114 0.8735 
1 1 1 21 2  0  o 14 1.02985e+02 1.30391e+01 1.70169e+02 180.000 -6.95621e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.03840e+02 180.000 6.63292e+01 0.000   1.0000 
1 1 1 21 2  1  o 11 5.32660e+01 1.32768e+01 1.31673e+02 33.084  4.25400e+00  2.77146e+00  0.00000e+00 0.00000e+00 4.81554e+00 213.084 1.36488e+02 213.084 0.8951 
1 1 1 21 2  2  o 1  5.45363e+01 1.27031e+01 4.88220e+01 282.144 4.11060e-01  -1.91028e+00 0.00000e+00 0.00000e+00 5.12927e+01 282.144 2.47065e+00 282.144 0.6901 
1 1 1 21 2  3  o 17 1.33691e+02 7.22499e+00 1.37183e+02 285.447 4.00656e+00  -1.44997e+01 0.00000e+00 0.00000e+00 2.06356e+02 285.447 6.91728e+01 285.447 0.9662 
1 1 1 21 2  4  o 1  4.08707e+01 1.21628e+01 7.09678e+01 172.666 -2.13267e+00 2.74468e-01  0.00000e+00 0.00000e+00 7.37863e+00 172.666 6.35892e+01 352.666 0.7210 
1 1 1 21 2  5  o 10 1.17564e+02 7.77449e+00 1.57137e+02 267.112 -7.53306e-01 -1.49302e+01 0.00000e+00 0.00000e+00 1.44685e+02 267.112 1.24518e+01 87.112  0.9660 
1 1 1 21 2  6  o 12 9.17151e+01 1.03984e+01 8.52702e+01 25.106  5.31132e+00  2.48866e+00  0.00000e+00 0.00000e+00 1.36500e+02 25.106  5.12294e+01 25.106  0.9102 
1 1 1 21 2  7  o 13 8.99504e+01 1.08321e+01 1.65986e+02 353.039 1.09763e+01  -1.34018e+00 0.00000e+00 0.00000e+00 6.17679e+01 353.039 1.04218e+02 173.039 0.9537 
1 1 1 21 2  8  f 0  8.61774e+01 1.16887e+01 1.15634e+02 290.067 2.47550e+00  -6.77674e+00 0.00000e+00 0.00000e+00 9.65268e+01 290.067 1.91076e+01 110.067 0.9279 
1 1 1 21 2  9  o 18 9.26066e+01 1.07225e+01 1.68223e+02 179.467 -1.14660e+01 1.06712e-01  0.00000e+00 0.00000e+00 6.63491e+01 179.467 1.01874e+02 359.467 0.9553 
1 1 1 21 2  10 o 9  6.47918e+01 1.30413e+01 4.29348e+01 189.587 -2.35053e+00 -3.97035e-01 0.00000e+00 0.00000e+00 8.61009e+01 189.587 4.31661e+01 189.587 0.7517 
1 1 1 21 2  11 o 8  4.98825e+01 1.30161e+01 3.11184e+01 145.275 -1.08893e+00 7.54722e-01  0.00000e+00 0.00000e+00 4.14686e+01 145.275 1.03501e+01 145.275 0.5498 
1 1 1 21 2  12 o 4  1.45521e+02 6.57701e+00 2.20921e+02 321.938 2.50397e+01  -1.96067e+01 0.00000e+00 0.00000e+00 1.57767e+02 321.938 6.31543e+01 141.938 0.9842 
1 1 1 21 2  13 o 18 4.00655e+01 1.18484e+01 9.43446e+01 328.493 2.56703e+00  -1.57349e+00 0.00000e+00 0.00000e+00 8.54158e+00 148.493 1.02886e+02 148.493 0.8108 
1 1 1 21 2  14 o 3  4.52037e+01 1.23936e+01 6.39481e+01 163.560 -2.16396e+00 6.38525e-01  0.00000e+00 0.00000e+00 2.37869e+01 163.560 4.01612e+01 343.560 0.7357 
1 1 1 21 2  15 o 11 1.18233e+02 7.67845e+00 1.40908e+02 213.944 -1.18579e+01 -7.98149e+00 0.00000e+00 0.00000e+00 1.59530e+02 213.944 1.86220e+01 213.944 0.9644 
1 1 1 21 2  16 o 19 1.03583e+02 8.42796e+00 8.78894e+01 12.001  9.31665e+00  1.98049e+00  0.00000e+00 0.00000e+00 1.69951e+02 12.001  8.20619e+01 12.001  0.9460 
1 1 1 21 2  17 o 8  6.61351e+01 1.20369e+01 7.96178e+01 341.208 4.69935e+00  -1.59903e+00 0.00000e+00 0.00000e+00 7.54911e+01 341.208 4.12679e+00 161.208 0.8925 
1 1 1 21 2  18 o 11 9.83818e+01 8.74727e+00 1.18018e+02 329.446 1.06717e+01  -6.29960e+00 0.00000e+00 0.00000e+00 1.29466e+02 329.446 1.14485e+01 329.446 0.9588 
1 1 1 21 2  19 o 3  1.25024e+02 7.92062e+00 1.52786e+02 338.894 1.92115e+01  -7.41550e+00 0.00000e+00 0.00000e+00 1.66667e+02 338.894 1.38810e+01 338.894 0.9754 
1 1 1 21 2  20 o 18 3.51119e+01 1.13711e+01 6.74025e+01 132.679 -1.51869e+00 1.64701e+00  0.00000e+00 0.00000e+00 4.61115e-02 312.679 6.74486e+01 312.679 0.7335 
1 1 1 21 2  21 o 6  1.20716e+02 8.52880e+00 1.41495e+02 235.025 -1.16589e+01 -1.66662e+01 0.00000e+00 0.00000e+00 1.65791e+02 235.025 2.42962e+01 235.025 0.9751 
1 1 1 21 2  22 o 17 1.37994e+02 7.69356e+00 2.05908e+02 168.035 -3.34628e+01 7.09136e+00  0.00000e+00 0.00000e+00 1.48368e+02 168.035 5.75404e+01 348.035 0.9853 
1 1 1 21 2  23 o 5  4.65027e+01 1.29250e+01 4.72116e+01 18.349  2.26371e+00  7.50811e-01  0.00000e+00 0.00000e+00 4.37190e+01 18.349  3.49259e+00 198.349 0.7519 
1 1 1 21 2  25 o 13 4.19423e+01 1.20226e+01 8.35534e+01 63.093  1.44147e+00  2.84039e+00  0.00000e+00 0.00000e+00 5.82401e+00 63.093  7.77294e+01 243.093 0.8228 
1 1 1 21 2  26 o 19 1.41939e+02 6.24318e+00 1.42855e+02 61.880  1.42028e+01  2.65771e+01  0.00000e+00 0.00000e+00 2.17806e+02 61.880  7.49505e+01 61.880  0.9833 
1 1 1 21 2  27 o 4  8.77498e+01 9.57625e+00 9.27317e+01 322.907 8.91529e+00  -6.74074e+00 0.00000e+00 0.00000e+00 1.23142e+02 322.907 3.04107e+01 322.907 0.9542 
1 1 1 21 2  28 o 5  7.78073e+01 1.10717e+01 5.59242e+01 171.191 -5.36182e+00 8.30903e-01  0.00000e+00 0.00000e+00 1.24679e+02 171.191 6.87545e+01 171.191 0.9024 
1 1 1 21 2  29 o 13 7.04091e+01 1.16963e+01 8.83658e+01 310.468 5.16272e+00  -6.05169e+00 0.00000e+00 0.00000e+00 8.05254e+01 310.468 7.84039e+00 130.468 0.9349 
1 1 1 21 2  30 o 9  1.08382e+02 8.67998e+00 1.50537e+02 7.043   2.27337e+01  2.80876e+00  0.00000e+00 0.00000e+00 1.20728e+02 7.043   2.98090e+01 187.043 0.9779 
1 1 1 21 2  31 f 0  1.83272e+02 5.77059e+00 1.55794e+02 185.549 -4.46365e+01 -4.33680e+00 0.00000e+00 0.00000e+00 3.06787e+02 185.549 1.50993e+02 185.549 0.9888 
1 1 1 21 2  32 o 19 3.00867e+01 9.89226e+00 2.53913e+01 271.683 3.46419e-02  -1.17873e+00 0.00000e+00 0.00000e+00 1.33876e+01 271.683 1.20037e+01 91.683  0.5063 
1 1 1 21 2  33 o 19 1.66898e+02 7.42394e+00 1.81171e+02 95.025  -4.46424e+00 5.07748e+01  0.00000e+00 0.00000e+00 2.38334e+02 95.025  5.71634e+01 95.025  0.9901 
1 1 1 21 2  34 o 5  3.25339e+01 1.04454e+01 3.79971e+01 262.497 -2.37960e-01 -1.80685e+00 0.00000e+00 0.00000e+00 1.68780e+01 262.497 2.11191e+01 82.497  0.6664 
1 1 1 21 2  35 o 19 8.09042e+01 9.84318e+00 8.05723e+01 110.681 -3.91538e+00 1.03724e+01  0.00000e+00 0.00000e+00 1.14170e+02 110.681 3.35975e+01 110.681 0.9538 
1 1 1 21 2  36 o 14 4.62133e+01 1.19215e+01 3.10783e+01 19.002  2.07593e+00  7.14891e-01  0.00000e+00 0.00000e+00 5.35002e+01 19.002  2.24220e+01 19.002  0.7274 
1 1 1 21 2  37 o 5  4.78951e+01 1.24788e+01 7.63205e+01 82.339  7.24432e-01  5.38562e+00  0.00000e+00 0.00000e+00 3.21003e+01 82.339  4.42202e+01 262.339 0.9026 
1 1 1 21 2  38 o 11 5.58613e+01 1.22792e+01 7.69447e+01 227.396 -5.00639e+00 -5.44368e+00 0.00000e+00 0.00000e+00 5.28912e+01 227.396 2.40535e+01 47.396  0.9297 
1 1 1 21 2  39 o 4  1.18741e+02 7.45974e+00 1.16692e+02 11.662  3.05871e+01  6.31319e+00  0.00000e+00 0.00000e+00 1.74400e+02 11.662  5.77086e+01 11.662  0.9839 
1 1 1 21 2  40 o 15 5.79581e+01 1.28278e+01 9.96617e+01 309.012 6.59884e+00  -8.14537e+00 0.00000e+00 0.00000e+00 3.72146e+01 309.012 6.24471e+01 129.012 0.9510 
1 1 1 21 2  41 o 14 1.11907e+02 7.91255e+00 9.30912e+01 283.295 5.58504e+00  -2.36364e+01 0.00000e+00 0.00000e+00 1.78068e+02 283.295 8.49766e+01 283.295 0.9792 
1 1 1 21 2  42 o 16 7.72771e+01 1.08245e+01 8.98295e+01 65.735  6.16018e+00  1.36656e+01  0.00000e+00 0.00000e+00 9.42445e+01 65.735  4.41500e+00 65.735  0.9660 
1 1 1 21 2  43 o 18 5.81261e+01 1.22277e+01 4.29306e+01 218.660 -3.92799e+00 -3.14247e+00 0.00000e+00 0.00000e+00 8.47427e+01 218.660 4.18120e+01 218.660 0.8941 
1 1 1 21 2  44 o 18 3.93172e+01 1.15514e+01 2.07099e+01 103.362 -4.30140e-01 1.81090e+00  0.00000e+00 0.00000e+00 4.41122e+01 103.362 2.34023e+01 103.362 0.6736 
1 1 1 21 3  0  o 16 1.22671e+02 1.14546e+01 1.61817e+02 0.000   7.79421e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.64803e+02 0.000   2.98612e+00 0.000   1.0000 
1 1 1 21 3  1  o 12 1.45537e+02 7.06326e+00 2.05582e+02 161.160 -2.26020e+01 7.71187e+00  0.00000e+00 0.00000e+00 1.73700e+02 161.160 3.18818e+01 341.160 0.9788 
1 1 1 21 3  2  o 12 2.16568e+02 5.36254e+00 3.04641e+02 215.787 -4.36608e+01 -3.14738e+01 0.00000e+00 0.00000e+00 2.66505e+02 215.787 3.81360e+01 35.787  0.9907 
1 1 1 21 3  3  o 17 1.36225e+02 7.57980e+00 1.37281e+02 1.832   1.47666e+01  4.72339e-01  0.00000e+00 0.00000e+00 2.12791e+02 1.832   7.55099e+01 1.832   0.9655 
1 1 1 21 3  4  o 19 4.90789e+01 1.25609e+01 2.28536e+01 315.065 5.66418e-01  -5.65144e-01 0.00000e+00 0.00000e+00 2.56105e+01 315.065 2.75684e+00 315.065 0.3711 
1 1 1 21 3  5  o 1  1.63023e+02 6.10698e+00 1.50025e+02 334.020 1.76625e+01  -8.60697e+00 0.00000e+00 0.00000e+00 2.72384e+02 334.020 1.22359e+02 334.020 0.9742 
1 1 1 21 3  6  o 17 1.03809e+02 8.58694e+00 1.43415e+02 344.722 1.10710e+01  -3.02419e+00 0.00000e+00 0.00000e+00 1.20243e+02 344.722 2.31715e+01 164.722 0.9554 
1 1 1 21 3  7  o 7  1.06018e+02 9.71444e+00 1.63307e+02 239.881 -6.53550e+00 -1.12655e+01 0.00000e+00 0.00000e+00 1.07336e+02 239.881 5.59707e+01 59.881  0.9608 
1 1 1 21 3  8  o 17 8.64632e+01 1.10089e+01 1.36661e+02 206.202 -9.64042e+00 -4.74403e+00 0.00000e+00 0.00000e+00 8.19588e+01 206.202 5.47019e+01 26.202  0.9523 
1 1 1 21 3  9  o 10 1.57661e+02 7.00511e+00 2.57584e+02 61.753  1.90568e+01  3.54712e+01  0.00000e+00 0.00000e+00 1.55508e+02 61.753  1.02076e+02 241.753 0.9875 
1 1 1 21 3  10 o 1  1.37806e+02 7.62595e+00 1.91349e+02 2.924   2.56740e+01  1.31145e+00  0.00000e+00 0.00000e+00 1.66810e+02 2.924   2.45384e+01 182.924 0.9804 
1 1 1 21 3  11 o 5  1.05019e+02 9.51291e+00 8.67202e+01 43.919  6.10683e+00  5.88063e+00  0.00000e+00 0.00000e+00 1.74484e+02 43.919  8.77640e+01 43.919  0.9390 
1 1 1 21 3  12 o 7  4.86755e+01 1.29704e+01 6.00367e+01 11.140  2.21779e+00  4.36741e-01  0.00000e+00 0.00000e+00 3.47876e+01 11.140  2.52491e+01 191.141 0.7362 
1 1 1 21 3  13 o 14 1.85022e+02 5.90330e+00 2.31008e+02 232.702 -2.30375e+01 -3.02428e+01 0.00000e+00 0.00000e+00 2.51572e+02 232.702 2.05637e+01 232.702 0.9868 
1 1 1 21 3  14 o 18 6.12171e+01 1.26152e+01 5.21068e+01 67.601  1.14235e+00  2.77168e+00  0.00000e+00 0.00000e+00 7.87792e+01 67.601  2.66724e+01 67.601  0.8098 
1 1 1 21 3  15 o 4  4.24469e+01 1.21166e+01 7.40372e+01 139.703 -2.27294e+00 1.92739e+00  0.00000e+00 0.00000e+00 1.64553e+01 139.703 5.75819e+01 319.703 0.8085 
1 1 1 21 3  16 o 5  7.20773e+01 1.14769e+01 5.63352e+01 224.706 -2.76968e+00 -2.74141e+00 0.00000e+00 0.00000e+00 1.06789e+02 224.706 5.04539e+01 224.706 0.8594 
1 1 1 21 3  17 o 18 1.09964e+02 7.53592e+00 1.80660e+02 39.404  1.68879e+01  1.38741e+01  0.00000e+00 0.00000e+00 1.01805e+02 39.404  7.88557e+01 219.404 0.9768 
1 1 1 21 3  18 o 12 1.05629e+02 8.09452e+00 1.64074e+02 169.887 -1.83721e+01 3.27694e+00  0.00000e+00 0.00000e+00 1.05729e+02 169.887 5.83450e+01 349.887 0.9728 
1 1 1 21 3  19 o 1  3.27396e+01 1.05280e+01 5.39941e+01 280.930 3.25672e-01  -1.68648e+00 0.00000e+00 0.00000e+00 1.40685e+00 280.930 5.25872e+01 100.930 0.6455 
1 1 1 21 3  20 o 4  6.81137e+01 1.24975e+01 7.40277e+01 76.852  1.21247e+00  5.19041e+00  0.00000e+00 0.00000e+00 8.64932e+01 76.852  1.24654e+01 76.852  0.9005 
1 1 1 21 3  21 o 13 6.22206e+01 1.29970e+01 7.98123e+01 201.374 -4.76468e+00 -1.86478e+00 0.00000e+00 0.00000e+00 6.58306e+01 201.374 1.39817e+01 21.374  0.8960 
1 1 1 21 3  22 o 6  3.49063e+01 1.12485e+01 8.73281e+01 136.039 -2.53807e+00 2.44767e+00  0.00000e+00 0.00000e+00 1.06483e+01 316.039 9.79764e+01 316.039 0.8425 
1 1 1 21 3  25 o 4  7.85839e+01 1.08464e+01 1.31330e+02 159.403 -1.25351e+01 4.71097e+00  0.00000e+00 0.00000e+00 6.45804e+01 159.403 6.67494e+01 339.403 0.9619 
1 1 1 21 3  26 o 2  5.51724e+01 1.27130e+01 7.19223e+01 101.918 -1.00624e+00 4.76774e+00  0.00000e+00 0.00000e+00 5.51107e+01 101.918 1.68116e+01 281.917 0.8903 
1 1 1 21 3  27 o 2  7.13419e+01 1.18359e+01 9.53191e+01 77.499  1.85279e+00  8.35664e+00  0.00000e+00 0.00000e+00 7.76404e+01 77.499  1.76787e+01 257.499 0.9396 
1 1 1 21 3  28 o 13 6.38374e+01 1.24663e+01 1.31627e+02 328.178 8.41498e+00  -5.22196e+00 0.00000e+00 0.00000e+00 2.41610e+01 328.178 1.07466e+02 148.178 0.9481 
1 1 1 21 3  29 o 7  5.54892e+01 1.19289e+01 9.07478e+01 355.018 6.32465e+00  -5.51368e-01 0.00000e+00 0.00000e+00 3.99713e+01 355.018 5.07765e+01 175.018 0.9175 
1 1 1 21 3  30 o 7  8.58475e+01 9.40246e+00 1.39729e+02 212.136 -1.44719e+01 -9.09070e+00 0.00000e+00 0.00000e+00 7.36091e+01 212.136 6.61194e+01 32.136  0.9703 
1 1 1 21 3  31 o 5  7.45643e+01 1.07324e+01 1.21369e+02 17.362  1.29807e+01  4.05835e+00  0.00000e+00 0.00000e+00 6.19596e+01 17.362  5.94092e+01 197.362 0.9625 
1 1 1 21 3  32 o 12 1.06995e+02 7.83400e+00 1.35540e+02 315.327 1.72988e+01  -1.71024e+01 0.00000e+00 0.00000e+00 1.31369e+02 315.327 4.17058e+00 135.327 0.9792 
1 1 1 21 3  33 f 0  5.30929e+01 1.18165e+01 5.55866e+01 285.155 1.08382e+00  -4.00141e+00 0.00000e+00 0.00000e+00 6.16066e+01 285.155 6.01992e+00 285.155 0.8689 
1 1 1 21 3  34 o 4  9.57400e+01 8.30894e+00 1.27087e+02 40.300  1.69295e+01  1.43575e+01  0.00000e+00 0.00000e+00 1.09900e+02 40.300  1.71873e+01 220.300 0.9772 
1 1 1 21 3  35 o 16 6.94032e+01 1.13976e+01 8.94591e+01 139.285 -7.42193e+00 6.38728e+00  0.00000e+00 0.00000e+00 7.66132e+01 139.285 1.28459e+01 319.285 0.9475 
1 1 1 21 3  36 o 12 5.39527e+01 1.25469e+01 2.08467e+01 166.348 -1.63125e+00 3.96196e-01  0.00000e+00 0.00000e+00 6.57252e+01 166.348 4.48785e+01 166.348 0.6373 
1 1 1 21 3  37 o 18 8.89650e+01 9.83007e+00 1.15575e+02 353.401 1.85427e+01  -2.14521e+00 0.00000e+00 0.00000e+00 1.01650e+02 353.401 1.39254e+01 173.401 0.9728 
1 1 1 21 3  38 o 9  8.96985e+01 1.01590e+01 1.17689e+02 248.782 -7.29143e+00 -1.87809e+01 0.00000e+00 0.00000e+00 1.01074e+02 248.782 1.66146e+01 68.782  0.9749 
1 1 1 21 3  39 o 17 7.64937e+01 1.18128e+01 9.76907e+01 267.063 -6.95753e-01 -1.35609e+01 0.00000e+00 0.00000e+00 8.58810e+01 267.063 1.18097e+01 87.063  0.9624 
1 1 1 21 3  40 o 9  3.85297e+01 1.17898e+01 8.57479e+01 153.570 -5.67581e+00 2.82114e+00  0.00000e+00 0.00000e+00 2.08122e+00 153.570 8.36667e+01 333.570 0.9173 
1 1 1 21 3  41 o 8  4.91967e+01 1.19452e+01 4.74815e+01 307.217 2.87669e+00  -3.78755e+00 0.00000e+00 0.00000e+00 6.06281e+01 307.217 1.31465e+01 307.217 0.8874 
1 1 1 21 3  42 o 12 4.56537e+01 1.21046e+01 2.32866e+01 166.514 -2.13639e+00 5.12369e-01  0.00000e+00 0.00000e+00 5.86780e+01 166.514 3.53914e+01 166.514 0.7276 
1 1 1 21 3  43 o 14 3.64336e+01 1.11478e+01 1.49597e+01 188.831 -1.15391e+00 -1.79263e-01 0.00000e+00 0.00000e+00 3.00651e+01 188.831 1.51054e+01 188.831 0.5027 
1 1 1 21 3  44 o 15 4.01910e+01 1.98433e+01 2.53752e+01 355.824 1.34235e+00  -9.80179e-02 0.00000e+00 0.00000e+00 2.93237e+01 355.824 3.94847e+00 355.824 0.5557 
1 1 1 21 4  0  o 4  9.17821e+01 1.83971e+01 1.71944e+02 0.000   5.53787e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.26677e+01 0.000   9.92760e+01 180.000 1.0000 
1 1 1 21 4  1  o 11 1.08744e+02 8.59995e+00 1.77182e+02 351.492 1.46776e+01  -2.19560e+00 0.00000e+00 0.00000e+00 1.02690e+02 351.492 7.44918e+01 171.492 0.9657 
1 1 1 21 4  2  o 1  6.33467e+01 1.33593e+01 8.84002e+01 66.251  1.56769e+00  3.56294e+00  0.00000e+00 0.00000e+00 5.66462e+01 66.251  3.17541e+01 246.251 0.8593 
1 1 1 21 4  3  o 5  1.31197e+02 7.86931e+00 1.06025e+02 316.301 7.82541e+00  -7.47797e+00 0.00000e+00 0.00000e+00 2.26946e+02 316.301 1.20921e+02 316.301 0.9526 
1 1 1 21 4  4  o 18 1.49440e+02 6.57362e+00 1.11529e+02 253.655 -4.72305e+00 -1.61047e+01 0.00000e+00 0.00000e+00 2.74441e+02 253.655 1.62912e+02 253.655 0.9697 
1 1 1 21 4  5  o 6  9.89789e+01 9.84748e+00 1.32658e+02 187.361 -1.22037e+01 -1.57654e+00 0.00000e+00 0.00000e+00 1.19912e+02 187.361 1.27458e+01 7.361   0.9585 
1 1 1 21 4  6  o 9  1.49584e+02 6.49843e+00 2.21244e+02 285.946 9.11817e+00  -3.19123e+01 0.00000e+00 0.00000e+00 1.70769e+02 285.946 5.04751e+01 105.946 0.9848 
1 1 1 21 4  7  o 15 1.11962e+02 8.02527e+00 6.37395e+01 135.671 -4.95561e+00 4.84083e+00  0.00000e+00 0.00000e+00 2.11615e+02 135.671 1.47875e+02 135.671 0.9247 
1 1 1 21 4  8  o 19 1.29649e+02 6.93133e+00 2.35544e+02 337.072 2.77804e+01  -1.17506e+01 0.00000e+00 0.00000e+00 1.03285e+02 337.072 1.32260e+02 157.072 0.9833 
1 1 1 21 4  9  o 13 9.43196e+01 9.34065e+00 6.17309e+01 141.617 -4.26917e+00 3.38159e+00  0.00000e+00 0.00000e+00 1.64424e+02 141.617 1.02693e+02 141.617 0.9028 
1 1 1 21 4  10 o 10 5.12679e+01 1.27250e+01 7.90969e+01 94.814  -2.65351e-01 3.15048e+00  0.00000e+00 0.00000e+00 3.26370e+01 94.814  4.64598e+01 274.814 0.8213 
1 1 1 21 4  11 o 4  1.35810e+02 7.30363e+00 1.30310e+02 201.514 -1.43780e+01 -5.66772e+00 0.00000e+00 0.00000e+00 2.17917e+02 201.514 8.76075e+01 201.514 0.9671 
1 1 1 21 4  12 o 3  1.56343e+02 6.60619e+00 1.79826e+02 105.311 -6.51515e+00 2.37972e+01  0.00000e+00 0.00000e+00 2.25801e+02 105.311 4.59755e+01 105.311 0.9795 
1 1 1 21 4  13 o 13 5.24811e+01 1.29327e+01 6.97572e+01 132.563 -2.29861e+00 2.50293e+00  0.00000e+00 0.00000e+00 4.62734e+01 132.563 2.34838e+01 312.563 0.8356 
1 1 1 21 4  14 o 13 1.55067e+02 6.34932e+00 1.83786e+02 312.994 2.12200e+01  -2.27606e+01 0.00000e+00 0.00000e+00 2.19383e+02 312.994 3.55977e+01 312.994 0.9838 
1 1 1 21 4  15 o 7  5.45898e+01 1.28925e+01 7.29672e+01 320.611 2.94055e+00  -2.41441e+00 0.00000e+00 0.00000e+00 5.03106e+01 320.611 2.26565e+01 140.611 0.8556 
1 1 1 21 4  16 f 0  1.33773e+02 6.63728e+00 1.37137e+02 215.041 -1.68199e+01 -1.17956e+01 0.00000e+00 0.00000e+00 2.06789e+02 215.041 6.96512e+01 215.041 0.9753 
1 1 1 21 4  17 o 1  3.46625e+01 1.07614e+01 7.56247e+01 189.153 -2.51942e+00 -4.05930e-01 0.00000e+00 0.00000e+00 5.32293e+00 9.153   8.09477e+01 9.153   0.7705 
1 1 1 21 4  18 o 6  1.51413e+02 6.08484e+00 1.68256e+02 223.558 -1.98044e+01 -1.88320e+01 0.00000e+00 0.00000e+00 2.22341e+02 223.558 5.40853e+01 223.558 0.9815 
1 1 1 21 4  19 f 0  8.72510e+01 9.45609e+00 1.12091e+02 83.103  1.36855e+00  1.13140e+01  0.00000e+00 0.00000e+00 1.06570e+02 83.103  5.52107e+00 263.103 0.9551 
1 1 1 21 4  20 o 12 1.13974e+02 7.50869e+00 1.63149e+02 36.286  1.82218e+01  1.33783e+01  0.00000e+00 0.00000e+00 1.28739e+02 36.286  3.44096e+01 216.286 0.9776 
1 1 1 21 4  21 o 13 3.44379e+01 1.10234e+01 1.80244e+01 254.584 -1.92550e-01 -6.98292e-01 0.00000e+00 0.00000e+00 1.26238e+01 254.584 5.40061e+00 74.584  0.3403 
1 1 1 21 4  24 o 15 7.76444e+01 1.17839e+01 6.76645e+01 93.543  -4.07664e-01 6.58399e+00  0.00000e+00 0.00000e+00 1.18195e+02 93.543  5.05305e+01 93.543  0.9207 
1 1 1 21 4  25 o 19 9.60007e+01 1.05179e+01 8.89843e+01 175.314 -1.14083e+01 9.35176e-01  0.00000e+00 0.00000e+00 1.48931e+02 175.314 5.99467e+01 175.314 0.9553 
1 1 1 21 4  26 o 16 1.87617e+02 6.03326e+00 1.82509e+02 342.909 4.97461e+01  -1.52948e+01 0.00000e+00 0.00000e+00 2.98471e+02 342.909 1.15962e+02 342.909 0.9903 
1 1 1 21 4  27 o 7  6.90872e+01 1.16854e+01 7.83975e+01 303.928 3.68061e+00  -5.47146e+00 0.00000e+00 0.00000e+00 8.58850e+01 303.928 7.48755e+00 303.928 0.9207 
1 1 1 21 4  28 o 7  4.71062e+01 1.23382e+01 1.79423e+01 113.767 -4.24156e-01 9.63172e-01  0.00000e+00 0.00000e+00 3.84549e+01 113.767 2.05125e+01 113.767 0.4647 
1 1 1 21 4  29 o 6  8.15522e+01 1.06176e+01 1.33576e+02 83.026  1.81218e+00  1.48149e+01  0.00000e+00 0.00000e+00 6.88854e+01 83.026  6.46911e+01 263.026 0.9659 
1 1 1 21 4  30 o 19 7.10183e+01 1.08067e+01 1.23449e+02 284.149 3.22494e+00  -1.27923e+01 0.00000e+00 0.00000e+00 5.15795e+01 284.149 7.18697e+01 104.149 0.9613 
1 1 1 21 4  31 o 17 3.67507e+01 1.11517e+01 7.23311e+01 305.981 2.31964e+00  -3.19498e+00 0.00000e+00 0.00000e+00 8.62531e+00 305.981 6.37058e+01 125.981 0.8615 
1 1 1 21 4  32 o 17 8.92306e+01 8.88623e+00 1.17656e+02 312.902 1.14698e+01  -1.23420e+01 0.00000e+00 0.00000e+00 1.03027e+02 312.902 1.46300e+01 132.902 0.9699 
1 1 1 21 4  33 o 3  6.75358e+01 1.17253e+01 8.44896e+01 304.552 4.53333e+00  -6.58313e+00 0.00000e+00 0.00000e+00 7.61150e+01 304.552 8.37458e+00 124.552 0.9352 
1 1 1 21 4  34 o 4  1.63146e+02 6.09371e+00 2.03972e+02 152.307 -5.76019e+01 3.02324e+01  0.00000e+00 0.00000e+00 2.06503e+02 152.307 2.53122e+00 152.307 0.9923 
1 1 1 21 4  35 o 6  5.95088e+01 1.14810e+01 8.62250e+01 232.898 -4.83288e+00 -6.38983e+00 0.00000e+00 0.00000e+00 5.44868e+01 232.898 3.17383e+01 52.898  0.9353 
1 1 1 21 4  36 o 8  3.19018e+01 1.04277e+01 1.45749e+01 232.914 -4.98323e-01 -6.59227e-01 0.00000e+00 0.00000e+00 1.60995e+01 232.914 1.52463e+00 232.914 0.3815 
1 1 1 21 4  37 o 5  8.11098e+01 1.11107e+01 8.48485e+01 250.715 -4.16180e+00 -1.18941e+01 0.00000e+00 0.00000e+00 1.10669e+02 250.715 2.58207e+01 250.715 0.9595 
1 1 1 21 4  38 o 18 4.74887e+01 1.23074e+01 2.81572e+01 204.389 -2.16596e+00 -9.82039e-01 0.00000e+00 0.00000e+00 6.11633e+01 204.389 3.30061e+01 204.389 0.7511 
1 1 1 21 4  39 o 9  3.81386e+01 1.15108e+01 6.96607e+01 359.107 5.20569e+00  -8.11519e-02 0.00000e+00 0.00000e+00 1.58179e+01 359.107 5.38428e+01 179.107 0.8980 
1 1 1 21 4  40 o 8  6.83349e+01 1.15684e+01 7.66127e+01 161.821 -9.64015e+00 3.16554e+00  0.00000e+00 0.00000e+00 8.47612e+01 161.821 8.14853e+00 161.821 0.9494 
1 1 1 21 4  41 o 4  3.35206e+01 1.05478e+01 5.54983e+00 172.306 -4.05512e-01 5.47845e-02  0.00000e+00 0.00000e+00 1.11042e+01 172.306 5.55432e+00 172.306 0.2004 
1 1 1 21 4  42 o 10 3.17252e+01 1.02602e+01 2.88195e+01 337.309 1.93792e+00  -8.10304e-01 0.00000e+00 0.00000e+00 2.70982e+01 337.309 1.72134e+00 157.309 0.7136 
1 1 1 21 4  43 o 8  3.86677e+01 1.14342e+01 1.81715e+01 83.470  1.84468e-01  1.61152e+00  0.00000e+00 0.00000e+00 4.12908e+01 83.470  2.31193e+01 83.470  0.6249 
1 1 1 21 5  0  o 16 2.22395e+02 7.62252e+00 1.54445e+02 180.000 -1.74809e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.39045e+02 180.000 2.84600e+02 180.000 1.0000 
1 1 1 21 5  1  o 17 7.20700e+01 1.11369e+01 5.81430e+01 140.045 -2.89529e+00 2.42555e+00  0.00000e+00 0.00000e+00 1.06168e+02 140.045 4.80254e+01 140.045 0.8544 
1 1 1 21 5  2  o 5  6.95209e+01 1.04040e+01 1.66176e+02 81.201  1.62262e+00  1.04821e+01  0.00000e+00 0.00000e+00 1.03438e+01 81.201  1.55833e+02 261.201 0.9516 
1 1 1 21 5  3  o 12 1.19745e+02 7.68036e+00 1.61026e+02 201.507 -1.75054e+01 -6.89802e+00 0.00000e+00 0.00000e+00 1.49798e+02 201.507 1.12281e+01 21.507  0.9731 
1 1 1 21 5  4  o 6  8.38309e+01 1.01564e+01 7.49649e+01 74.227  1.57363e+00  5.57104e+00  0.00000e+00 0.00000e+00 1.28239e+02 74.227  5.32744e+01 74.227  0.9090 
1 1 1 21 5  5  o 16 1.74729e+02 5.68070e+00 2.08254e+02 182.155 -3.30044e+01 -1.24222e+00 0.00000e+00 0.00000e+00 2.50425e+02 182.155 4.21707e+01 182.155 0.9847 
1 1 1 21 5  6  o 1  6.42045e+01 1.22617e+01 9.75224e+01 287.487 1.49030e+00  -4.73035e+00 0.00000e+00 0.00000e+00 5.51484e+01 287.487 4.23741e+01 107.487 0.8924 
1 1 1 21 5  7  o 2  1.33412e+02 6.81184e+00 1.59696e+02 32.296  1.59649e+01  1.00910e+01  0.00000e+00 0.00000e+00 1.86041e+02 32.296  2.63449e+01 32.296  0.9732 
1 1 1 21 5  8  f 0  1.52703e+02 6.13737e+00 1.39987e+02 347.581 1.86207e+01  -4.10033e+00 0.00000e+00 0.00000e+00 2.55592e+02 347.581 1.15606e+02 347.581 0.9734 
1 1 1 21 5  9  o 19 3.95645e+01 1.17161e+01 2.29107e+01 18.757  6.81792e-01  2.31530e-01  0.00000e+00 0.00000e+00 1.27082e+01 18.757  1.02025e+01 198.757 0.3385 
1 1 1 21 5  10 f 0  1.17117e+02 7.76883e+00 1.29261e+02 225.534 -1.13952e+01 -1.16096e+01 0.00000e+00 0.00000e+00 1.72213e+02 225.534 4.29517e+01 225.534 0.9688 
1 1 1 21 5  11 o 3  1.62589e+02 6.04605e+00 2.16148e+02 217.070 -3.10187e+01 -2.34334e+01 0.00000e+00 0.00000e+00 2.09894e+02 217.070 6.25384e+00 37.070  0.9871 
1 1 1 21 5  12 o 2  8.76766e+01 9.93946e+00 1.41929e+02 63.430  5.61065e+00  1.12189e+01  0.00000e+00 0.00000e+00 8.11281e+01 63.430  6.08007e+01 243.430 0.9593 
1 1 1 21 5  13 o 5  9.24296e+01 9.38365e+00 6.14652e+01 165.537 -5.84106e+00 1.50660e+00  0.00000e+00 0.00000e+00 1.62065e+02 165.537 1.00600e+02 165.537 0.9129 
1 1 1 21 5  14 o 13 3.82592e+01 1.15518e+01 5.89282e+01 78.821  4.33571e-01  2.19394e+00  0.00000e+00 0.00000e+00 1.52820e+01 78.821  4.36462e+01 258.821 0.7330 
1 1 1 21 5  15 o 12 7.49221e+01 1.14482e+01 9.83724e+01 195.154 -6.81766e+00 -1.84638e+00 0.00000e+00 0.00000e+00 8.50290e+01 195.154 1.33434e+01 15.154  0.9262 
1 1 1 21 5  16 o 19 9.32251e+01 9.23030e+00 1.15692e+02 246.064 -4.41808e+00 -9.95306e+00 0.00000e+00 0.00000e+00 1.18774e+02 246.064 3.08182e+00 246.064 0.9529 
1 1 1 21 5  17 o 8  1.09438e+02 8.36378e+00 1.51198e+02 202.066 -1.56728e+01 -6.35310e+00 0.00000e+00 0.00000e+00 1.28571e+02 202.066 2.26270e+01 22.066  0.9700 
1 1 1 21 5  18 o 3  5.22880e+01 1.26565e+01 3.88823e+01 238.892 -1.10187e+00 -1.82606e+00 0.00000e+00 0.00000e+00 5.99716e+01 238.892 2.10893e+01 238.892 0.7184 
1 1 1 21 5  19 o 17 1.04702e+02 7.83537e+00 1.40770e+02 63.235  8.59579e+00  1.70428e+01  0.00000e+00 0.00000e+00 1.27017e+02 63.235  1.37529e+01 243.235 0.9734 
1 1 1 21 5  20 f 0  7.54148e+01 1.10035e+01 1.24892e+02 96.336  -1.21194e+00 1.09155e+01  0.00000e+00 0.00000e+00 6.36864e+01 96.336  6.12057e+01 276.336 0.9533 
1 1 1 21 5  22 o 6  2.83269e+02 6.29134e+00 2.90591e+02 256.785 -1.96846e+01 -8.38257e+01 0.00000e+00 0.00000e+00 4.45417e+02 256.785 1.54827e+02 256.785 0.9942 
1 1 1 21 5  23 o 5  4.55781e+01 1.22561e+01 4.78026e+01 210.524 -2.31284e+00 -1.36365e+00 0.00000e+00 0.00000e+00 4.53687e+01 210.524 2.43390e+00 30.524  0.7837 
1 1 1 21 5  24 o 4  5.29826e+01 1.38899e+01 4.31850e+01 197.007 -2.56440e+00 -7.84382e-01 0.00000e+00 0.00000e+00 6.48614e+01 197.007 2.16764e+01 197.007 0.7834 
1 1 1 21 5  25 o 15 5.40721e+01 1.27245e+01 7.21217e+01 26.192  4.26703e+00  2.09891e+00  0.00000e+00 0.00000e+00 5.25197e+01 26.192  1.96020e+01 206.192 0.8874 
1 1 1 21 5  26 o 15 9.89097e+01 1.10005e+01 1.40295e+02 99.674  -2.91329e+00 1.70896e+01  0.00000e+00 0.00000e+00 1.08565e+02 99.674  3.17295e+01 279.674 0.9707 
1 1 1 21 5  27 o 18 5.09667e+01 1.16765e+01 2.69022e+01 358.364 1.75352e+00  -5.00857e-02 0.00000e+00 0.00000e+00 5.91632e+01 358.364 3.22610e+01 358.364 0.6530 
1 1 1 21 5  28 o 18 9.93434e+01 8.43983e+00 8.89966e+01 298.017 6.15294e+00  -1.15635e+01 0.00000e+00 0.00000e+00 1.57312e+02 298.017 6.83150e+01 298.017 0.9610 
1 1 1 21 5  29 o 8  8.24234e+01 9.95457e+00 1.21861e+02 23.259  1.44090e+01  6.19312e+00  0.00000e+00 0.00000e+00 8.33814e+01 23.259  3.84798e+01 203.258 0.9676 
1 1 1 21 5  30 o 10 7.75676e+01 1.06889e+01 9.14667e+01 24.820  9.77568e+00  4.52104e+00  0.00000e+00 0.00000e+00 9.81680e+01 24.820  6.70129e+00 24.820  0.9524 
1 1 1 21 5  31 o 17 5.40942e+01 1.23346e+01 5.02627e+01 329.994 3.29436e+00  -1.90249e+00 0.00000e+00 0.00000e+00 6.82269e+01 329.994 1.79641e+01 329.994 0.8555 
1 1 1 21 5  32 o 16 5.46077e+01 1.20763e+01 7.57276e+01 119.091 -2.78302e+00 5.00199e+00  0.00000e+00 0.00000e+00 5.08539e+01 119.091 2.48738e+01 299.091 0.9078 
1 1 1 21 5  33 o 5  1.26818e+02 6.97556e+00 1.61772e+02 191.016 -3.84475e+01 -7.48430e+00 0.00000e+00 0.00000e+00 1.56980e+02 191.016 4.79183e+00 11.016  0.9872 
1 1 1 21 5  34 o 15 6.72916e+01 1.20786e+01 9.14064e+01 240.528 -4.61223e+00 -8.16132e+00 0.00000e+00 0.00000e+00 7.00480e+01 240.528 2.13584e+01 60.528  0.9451 
1 1 1 21 5  35 o 6  4.06345e+01 1.19082e+01 5.07435e+01 276.732 3.70737e-01  -3.14079e+00 0.00000e+00 0.00000e+00 3.37352e+01 276.732 1.70084e+01 96.732  0.8213 
1 1 1 21 5  36 o 4  5.65299e+01 1.34610e+01 2.10680e+01 164.857 -1.74581e+00 4.72459e-01  0.00000e+00 0.00000e+00 7.36124e+01 164.857 5.25445e+01 164.857 0.6637 
1 1 1 21 5  37 o 5  3.45449e+01 1.09378e+01 8.48935e+01 206.426 -5.04736e+00 -2.50842e+00 0.00000e+00 0.00000e+00 6.13419e+00 26.426  9.10277e+01 26.426  0.9063 
1 1 1 21 5  38 o 4  4.47859e+01 1.20951e+01 2.54604e+01 53.915  1.27764e+00  1.75305e+00  0.00000e+00 0.00000e+00 5.58103e+01 53.915  3.03499e+01 53.915  0.7237 
1 1 1 21 5  39 o 5  4.55244e+01 1.21041e+01 4.16520e+01 163.769 -3.43688e+00 1.00051e+00  0.00000e+00 0.00000e+00 5.45030e+01 163.769 1.28510e+01 163.769 0.8452 
1 1 1 21 5  40 o 13 4.42437e+01 1.18982e+01 4.20366e+01 257.315 -8.32927e-01 -3.70055e+00 0.00000e+00 0.00000e+00 5.21883e+01 257.315 1.01517e+01 257.315 0.8551 
1 1 1 21 5  41 o 11 3.47464e+01 1.08967e+01 2.06918e+01 254.246 -4.33879e-01 -1.53803e+00 0.00000e+00 0.00000e+00 3.27297e+01 254.246 1.20379e+01 254.246 0.6195 
1 1 1 21 5  42 o 8  6.26410e+01 1.20471e+01 4.91026e+01 200.263 -5.85654e+00 -2.16210e+00 0.00000e+00 0.00000e+00 9.27976e+01 200.263 4.36950e+01 200.263 0.9160 
1 1 1 21 6  0  f 0  6.86799e+01 2.05940e+01 1.37942e+02 0.000   3.50347e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.52940e+01 0.000   9.26478e+01 180.000 0.9982 
1 1 1 21 6  1  o 10 9.04140e+01 8.80840e+00 5.31472e+01 105.690 -1.10813e+00 3.94501e+00  0.00000e+00 0.00000e+00 1.56404e+02 105.690 1.03257e+02 105.690 0.8672 
1 1 1 21 6  2  o 8  1.47181e+02 6.14951e+00 1.61416e+02 343.478 2.03278e+01  -6.02998e+00 0.00000e+00 0.00000e+00 2.22513e+02 343.478 6.10965e+01 343.478 0.9761 
1 1 1 21 6  3  o 2  9.97688e+01 8.05337e+00 1.53040e+02 151.574 -1.15941e+01 6.27575e+00  0.00000e+00 0.00000e+00 1.03201e+02 151.574 4.98382e+01 331.574 0.9613 
1 1 1 21 6  4  o 12 1.21730e+02 6.70603e+00 1.72142e+02 178.124 -1.84725e+01 6.05193e-01  0.00000e+00 0.00000e+00 1.44073e+02 178.124 2.80689e+01 358.124 0.9726 
1 1 1 21 6  5  o 9  6.78657e+01 1.08649e+01 9.35217e+01 281.769 1.29018e+00  -6.19224e+00 0.00000e+00 0.00000e+00 7.26594e+01 281.769 2.08623e+01 101.769 0.9171 
1 1 1 21 6  6  o 4  1.23119e+02 6.67492e+00 1.38318e+02 82.154  2.56042e+00  1.85809e+01  0.00000e+00 0.00000e+00 1.81363e+02 82.154  4.30452e+01 82.154  0.9730 
1 1 1 21 6  7  o 15 1.67553e+02 5.39447e+00 1.86153e+02 326.160 2.90953e+01  -1.95073e+01 0.00000e+00 0.00000e+00 2.54312e+02 326.160 6.81587e+01 326.160 0.9856 
1 1 1 21 6  8  o 19 9.02744e+01 8.52851e+00 1.39312e+02 236.061 -7.37441e+00 -1.09582e+01 0.00000e+00 0.00000e+00 9.20129e+01 236.061 4.72987e+01 56.061  0.9614 
1 1 1 21 6  9  o 5  8.00550e+01 9.77841e+00 1.10595e+02 24.723  8.15109e+00  3.75307e+00  0.00000e+00 0.00000e+00 9.03724e+01 24.723  2.02230e+01 204.723 0.9425 
1 1 1 21 6  10 o 8  8.38717e+01 9.42966e+00 7.62988e+01 111.945 -2.54300e+00 6.31145e+00  0.00000e+00 0.00000e+00 1.29785e+02 111.945 5.34859e+01 111.945 0.9233 
1 1 1 21 6  11 o 18 8.20234e+01 9.64568e+00 1.54859e+02 72.447  4.02910e+00  1.27376e+01  0.00000e+00 0.00000e+00 5.49046e+01 72.447  9.99539e+01 252.447 0.9618 
1 1 1 21 6  12 f 0  2.02550e+02 4.91110e+00 2.39996e+02 115.240 -2.39756e+01 5.08586e+01  0.00000e+00 0.00000e+00 2.93222e+02 115.240 5.32262e+01 115.240 0.9911 
1 1 1 21 6  13 o 11 1.17595e+02 7.14629e+00 1.30238e+02 330.134 1.41585e+01  -8.13029e+00 0.00000e+00 0.00000e+00 1.72075e+02 330.134 4.18376e+01 330.134 0.9689 
1 1 1 21 6  14 o 10 3.28975e+01 1.03887e+01 5.26317e+01 29.724  1.47412e+00  8.41651e-01  0.00000e+00 0.00000e+00 3.28173e+00 29.724  4.93499e+01 209.724 0.6413 
1 1 1 21 6  15 o 1  4.32338e+01 1.17863e+01 3.48844e+01 272.620 7.51343e-02  -1.64193e+00 0.00000e+00 0.00000e+00 3.71771e+01 272.620 2.29268e+00 272.620 0.6297 
1 1 1 21 6  16 o 8  7.00791e+01 1.19063e+01 1.25948e+02 305.928 5.58510e+00  -7.70761e+00 0.00000e+00 0.00000e+00 4.92830e+01 305.928 7.66651e+01 125.928 0.9459 
1 1 1 21 6  17 o 16 4.82893e+01 1.23396e+01 6.49523e+01 235.381 -2.00364e+00 -2.90236e+00 0.00000e+00 0.00000e+00 4.24389e+01 235.381 2.25134e+01 55.381  0.8425 
1 1 1 21 6  18 o 4  7.73866e+01 1.07013e+01 7.15606e+01 256.316 -1.54885e+00 -6.36156e+00 0.00000e+00 0.00000e+00 1.16111e+02 256.316 4.45507e+01 256.316 0.9201 
1 1 1 21 6  20 o 7  7.65333e+01 2.60591e+01 1.31830e+02 254.369 -1.51937e+00 -5.43058e+00 0.00000e+00 0.00000e+00 5.04016e+01 254.369 8.14288e+01 74.369  0.9064 
1 1 1 21 6  21 o 7  1.44700e+02 6.57402e+00 1.23302e+02 198.413 -2.53855e+01 -8.45111e+00 0.00000e+00 0.00000e+00 2.49005e+02 198.413 1.25702e+02 198.413 0.9811 
1 1 1 21 6  22 o 1  7.44646e+01 1.18180e+01 1.09243e+02 29.019  8.89250e+00  4.93307e+00  0.00000e+00 0.00000e+00 7.58271e+01 29.019  3.34157e+01 209.019 0.9495 
1 1 1 21 6  23 o 5  4.32833e+01 1.17883e+01 9.23015e+01 24.068  4.64812e+00  2.07610e+00  0.00000e+00 0.00000e+00 8.95330e+00 24.068  8.33482e+01 204.068 0.8954 
1 1 1 21 6  24 o 5  6.18956e+01 1.26960e+01 6.57289e+01 26.361  4.30792e+00  2.13478e+00  0.00000e+00 0.00000e+00 7.76895e+01 26.361  1.19606e+01 26.361  0.8887 
1 1 1 21 6  25 o 3  9.69192e+01 1.07523e+01 1.22580e+02 88.281  4.76560e-01  1.58750e+01  0.00000e+00 0.00000e+00 1.21503e+02 88.281  1.07779e+00 268.280 0.9680 
1 1 1 21 6  26 o 15 6.30628e+01 1.25201e+01 3.94377e+01 265.958 -2.16719e-01 -3.06677e+00 0.00000e+00 0.00000e+00 9.40418e+01 265.958 5.46041e+01 265.958 0.8153 
1 1 1 21 6  27 o 8  4.82643e+01 1.25401e+01 3.63409e+01 129.468 -1.41734e+00 1.72132e+00  0.00000e+00 0.00000e+00 5.51791e+01 129.468 1.88382e+01 129.468 0.7321 
1 1 1 21 6  28 o 16 4.45513e+01 1.24968e+01 3.02521e+01 160.732 -1.78128e+00 6.22688e-01  0.00000e+00 0.00000e+00 4.78334e+01 160.732 1.75813e+01 160.732 0.6783 
1 1 1 21 6  29 o 16 3.55703e+01 1.09280e+01 7.91226e+01 338.290 3.93009e+00  -1.56473e+00 0.00000e+00 0.00000e+00 8.10568e-01 338.290 7.83120e+01 158.290 0.8718 
1 1 1 21 6  30 o 14 6.14554e+01 1.21003e+01 6.55949e+01 224.959 -3.98842e+00 -3.98269e+00 0.00000e+00 0.00000e+00 7.76054e+01 224.959 1.20105e+01 224.959 0.9063 
1 1 1 21 6  31 o 9  3.56561e+01 1.10193e+01 4.40868e+01 166.549 -2.50949e+00 6.00212e-01  0.00000e+00 0.00000e+00 2.66314e+01 166.549 1.74554e+01 346.549 0.7735 
1 1 1 21 6  32 o 14 4.34648e+01 1.20862e+01 8.89499e+01 6.012   5.94019e+00  6.25641e-01  0.00000e+00 0.00000e+00 1.24147e+01 6.012   7.65351e+01 186.012 0.9119 
1 1 1 21 6  33 o 8  4.67611e+01 1.22499e+01 6.38000e+01 147.549 -3.81041e+00 2.42292e+00  0.00000e+00 0.00000e+00 4.12316e+01 147.549 2.25684e+01 327.549 0.8808 
1 1 1 21 6  34 o 18 6.49667e+01 1.27437e+01 6.79483e+01 343.089 6.23704e+00  -1.89625e+00 0.00000e+00 0.00000e+00 8.39887e+01 343.089 1.60405e+01 343.089 0.9197 
1 1 1 21 6  35 o 19 5.18134e+01 1.30241e+01 6.71097e+01 217.509 -4.28955e+00 -3.29255e+00 0.00000e+00 0.00000e+00 5.13823e+01 217.509 1.57274e+01 37.509  0.9020 
1 1 1 21 6  36 o 2  6.24353e+01 1.31819e+01 3.56200e+01 128.642 -2.26667e+00 2.83517e+00  0.00000e+00 0.00000e+00 9.81362e+01 128.642 6.25162e+01 128.642 0.8476 
1 1 1 21 6  37 o 9  3.65862e+01 1.13377e+01 1.34533e+01 309.676 6.25511e-01  -7.54066e-01 0.00000e+00 0.00000e+00 2.70288e+01 309.676 1.35755e+01 309.676 0.4392 
1 1 1 21 6  38 o 6  8.38673e+01 1.01698e+01 1.20778e+02 189.589 -2.10467e+01 -3.55559e+00 0.00000e+00 0.00000e+00 8.48510e+01 189.589 3.59272e+01 9.589   0.9763 
1 1 1 21 6  39 o 10 4.36192e+01 1.20111e+01 3.99103e+01 75.956  8.57509e-01  3.42794e+00  0.00000e+00 0.00000e+00 5.21121e+01 75.956  1.22018e+01 75.956  0.8428 
1 1 1 21 6  40 o 11 3.23312e+01 1.04472e+01 1.09820e+01 30.204  7.02661e-01  4.09025e-01  0.00000e+00 0.00000e+00 1.93635e+01 30.204  8.38146e+00 30.204  0.3763 
1 1 1 21 6  41 o 1  3.37832e+01 1.07373e+01 2.12174e+01 182.017 -1.57663e+00 -5.55160e-02 0.00000e+00 0.00000e+00 3.04086e+01 182.017 9.19119e+00 182.017 0.6147 
1 1 1 21 7  0  o 1  7.12219e+01 1.73934e+01 1.41639e+02 0.000   4.96074e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.90563e+01 0.000   9.25830e+01 180.000 0.9999 
1 1 1 21 7  1  o 4  1.70117e+02 5.45712e+00 1.61649e+02 38.080  2.53363e+01  1.98522e+01  0.00000e+00 0.00000e+00 2.86728e+02 38.080  1.25079e+02 38.080  0.9843 
1 1 1 21 7  2  f 0  3.39953e+01 1.08861e+01 1.09770e+02 134.279 -2.67532e+00 2.74354e+00  0.00000e+00 0.00000e+00 3.17939e+01 314.279 1.41564e+02 314.279 0.8567 
1 1 1 21 7  3  f 0  3.92356e+01 1.12093e+01 1.57889e+01 339.795 5.90514e-01  -2.17321e-01 0.00000e+00 0.00000e+00 1.57186e+01 339.795 7.02313e-02 159.795 0.3000 
1 1 1 21 7  4  o 19 4.18966e+01 1.14326e+01 1.22299e+02 265.977 -3.62053e-01 -5.14804e+00 0.00000e+00 0.00000e+00 2.17375e+01 85.977  1.44037e+02 85.977  0.8970 
1 1 1 21 7  5  o 16 8.19341e+01 9.77524e+00 8.85752e+01 282.083 1.60270e+00  -7.48666e+00 0.00000e+00 0.00000e+00 1.15728e+02 282.083 2.71530e+01 282.083 0.9322 
1 1 1 21 7  6  o 7  7.27320e+01 1.04000e+01 1.14669e+02 281.036 1.65058e+00  -8.46294e+00 0.00000e+00 0.00000e+00 6.81360e+01 281.036 4.65333e+01 101.036 0.9401 
1 1 1 21 7  7  o 13 8.98522e+01 8.53582e+00 1.45337e+02 109.376 -4.69356e+00 1.33458e+01  0.00000e+00 0.00000e+00 8.61093e+01 109.376 5.92275e+01 289.376 0.9640 
1 1 1 21 7  8  f 0  1.48879e+02 5.77850e+00 2.27225e+02 120.535 -1.96686e+01 3.33440e+01  0.00000e+00 0.00000e+00 1.65168e+02 120.535 6.20563e+01 300.535 0.9870 
1 1 1 21 7  9  o 17 7.73488e+01 1.00865e+01 1.38288e+02 229.407 -6.95551e+00 -8.11705e+00 0.00000e+00 0.00000e+00 5.82049e+01 229.407 8.00834e+01 49.407  0.9520 
1 1 1 21 7  10 o 3  3.99800e+01 1.11917e+01 5.76079e+01 13.955  2.15632e+00  5.35815e-01  0.00000e+00 0.00000e+00 2.03183e+01 13.955  3.72896e+01 193.955 0.7310 
1 1 1 21 7  11 o 13 6.51964e+01 1.12917e+01 1.23551e+02 354.401 7.67422e+00  -7.52341e-01 0.00000e+00 0.00000e+00 3.84327e+01 354.401 8.51179e+01 174.401 0.9327 
1 1 1 21 7  12 o 11 1.11105e+02 7.17375e+00 1.72019e+02 88.001  8.34134e-01  2.39033e+01  0.00000e+00 0.00000e+00 1.17400e+02 88.001  5.46190e+01 268.001 0.9789 
1 1 1 21 7  13 o 3  2.07280e+02 4.79771e+00 2.76782e+02 29.924  6.48988e+01  3.73553e+01  0.00000e+00 0.00000e+00 2.70539e+02 29.924  6.24370e+00 209.924 0.9933 
1 1 1 21 7  14 f 0  1.53663e+02 5.71978e+00 1.12120e+02 120.324 -1.10898e+01 1.89593e+01  0.00000e+00 0.00000e+00 2.86488e+02 120.324 1.74367e+02 120.324 0.9770 
1 1 1 21 7  15 o 2  4.63994e+01 1.22876e+01 1.01560e+02 13.882  5.14720e+00  1.27206e+00  0.00000e+00 0.00000e+00 9.17476e+00 13.882  9.23852e+01 193.882 0.8999 
1 1 1 21 7  16 o 17 5.93021e+01 2.70112e+01 7.15879e+01 195.352 -2.46548e+00 -6.76869e-01 0.00000e+00 0.00000e+00 4.95036e+01 195.352 2.20843e+01 15.352  0.7710 
1 1 1 21 7  18 o 17 9.04016e+01 1.11771e+01 5.02277e+01 41.825  3.19351e+00  2.85780e+00  0.00000e+00 0.00000e+00 1.58328e+02 41.825  1.08100e+02 41.825  0.8737 
1 1 1 21 7  19 o 10 1.46853e+02 7.24750e+00 1.80467e+02 154.140 -3.52281e+01 1.70755e+01  0.00000e+00 0.00000e+00 2.01715e+02 154.140 2.12481e+01 154.140 0.9871 
1 1 1 21 7  20 o 4  7.44886e+01 1.09787e+01 7.52277e+01 336.363 6.64421e+00  -2.90784e+00 0.00000e+00 0.00000e+00 1.06755e+02 336.363 3.15275e+01 336.363 0.9283 
1 1 1 21 7  21 o 5  9.66889e+01 9.38867e+00 1.03815e+02 212.193 -1.18745e+01 -7.47580e+00 0.00000e+00 0.00000e+00 1.40988e+02 212.193 3.71727e+01 212.193 0.9637 
1 1 1 21 7  22 o 17 6.37325e+01 1.23297e+01 1.01871e+02 35.240  6.38230e+00  4.50893e+00  0.00000e+00 0.00000e+00 5.41705e+01 35.240  4.77001e+01 215.240 0.9336 
1 1 1 21 7  23 f 0  9.89225e+01 8.37883e+00 1.57055e+02 213.347 -1.77597e+01 -1.16870e+01 0.00000e+00 0.00000e+00 9.56936e+01 213.347 6.13615e+01 33.347  0.9762 
1 1 1 21 7  24 o 3  4.45910e+01 1.15174e+01 4.80713e+01 304.349 1.56424e+00  -2.28891e+00 0.00000e+00 0.00000e+00 4.41333e+01 304.349 3.93797e+00 124.349 0.7916 
1 1 1 21 7  25 o 7  8.74950e+01 8.75792e+00 1.10274e+02 309.477 9.06082e+00  -1.10007e+01 0.00000e+00 0.00000e+00 1.09631e+02 309.477 6.42731e-01 129.477 0.9643 
1 1 1 21 7  26 f 0  5.80390e+01 1.19548e+01 1.01579e+02 276.310 9.35430e-01  -8.45954e+00 0.00000e+00 0.00000e+00 4.02017e+01 276.310 6.13775e+01 96.310  0.9393 
1 1 1 21 7  27 o 17 4.33670e+01 1.25247e+01 2.85795e+01 177.394 -1.72671e+00 7.85905e-02  0.00000e+00 0.00000e+00 4.43133e+01 177.394 1.57338e+01 177.394 0.6478 
1 1 1 21 7  28 o 15 4.49768e+01 1.15885e+01 3.24493e+01 85.375  1.71523e-01  2.12036e+00  0.00000e+00 0.00000e+00 5.11029e+01 85.375  1.86536e+01 85.375  0.7176 
1 1 1 21 7  29 o 15 4.17313e+01 1.17703e+01 4.99292e+01 113.114 -1.15787e+00 2.71272e+00  0.00000e+00 0.00000e+00 3.69486e+01 113.114 1.29805e+01 293.114 0.8062 
1 1 1 21 7  30 o 16 9.26548e+01 9.29766e+00 6.50637e+01 134.699 -7.50403e+00 7.58335e+00  0.00000e+00 0.00000e+00 1.62118e+02 134.699 9.70546e+01 134.699 0.9519 
1 1 1 21 7  31 o 10 4.55641e+01 1.20046e+01 5.36746e+01 233.710 -2.23674e+00 -3.04608e+00 0.00000e+00 0.00000e+00 4.63437e+01 233.710 7.33092e+00 53.710  0.8545 
1 1 1 21 7  32 o 13 9.72523e+01 8.25713e+00 1.07000e+02 19.103  1.78697e+01  6.18885e+00  0.00000e+00 0.00000e+00 1.35484e+02 19.103  2.84834e+01 19.103  0.9732 
1 1 1 21 7  33 o 5  7.53341e+01 1.09899e+01 9.98203e+01 197.149 -1.24968e+01 -3.85611e+00 0.00000e+00 0.00000e+00 8.51369e+01 197.149 1.46834e+01 17.149  0.9610 
1 1 1 21 7  34 o 13 4.06883e+01 1.16331e+01 5.91199e+01 82.119  5.90656e-01  4.26725e+00  0.00000e+00 0.00000e+00 3.15143e+01 82.119  2.76056e+01 262.119 0.8744 
1 1 1 21 7  35 o 14 1.21381e+02 7.33327e+00 1.25271e+02 34.339  2.88264e+01  1.96926e+01  0.00000e+00 0.00000e+00 1.78580e+02 34.339  5.33095e+01 34.339  0.9856 
1 1 1 21 7  36 o 6  4.43199e+01 1.15238e+01 3.68053e+01 257.661 -6.86642e-01 -3.13887e+00 0.00000e+00 0.00000e+00 5.57334e+01 257.661 1.89282e+01 257.661 0.8246 
1 1 1 21 7  37 o 4  3.06460e+01 1.01349e+01 5.09601e+01 281.554 6.60998e-01  -3.23321e+00 0.00000e+00 0.00000e+00 1.32409e+01 281.554 3.77192e+01 101.554 0.8299 
1 1 1 21 7  38 o 1  4.62557e+01 1.18460e+01 9.15244e+01 265.260 -7.17575e-01 -8.65426e+00 0.00000e+00 0.00000e+00 1.79352e+01 265.260 7.35893e+01 85.260  0.9405 
1 1 1 21 7  39 f 0  5.09547e+01 1.25244e+01 3.99446e+01 308.684 2.56472e+00  -3.20308e+00 0.00000e+00 0.00000e+00 7.08885e+01 308.684 3.09439e+01 308.684 0.8674 
1 1 1 21 7  40 o 13 3.81376e+01 1.17174e+01 2.47990e+01 336.530 1.80279e+00  -7.82741e-01 0.00000e+00 0.00000e+00 4.11576e+01 336.530 1.63585e+01 336.530 0.6920 
1 1 1 21 8  0  o 12 1.91765e+02 7.14390e+00 2.15899e+02 0.000   2.30519e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.98695e+02 0.000   8.27956e+01 0.000   1.0000 
1 1 1 21 8  1  o 5  3.83027e+01 1.15708e+01 4.90493e+01 292.106 6.77422e-01  -1.66782e+00 0.00000e+00 0.00000e+00 1.89977e+01 292.106 3.00516e+01 112.106 0.6621 
1 1 1 21 8  2  o 3  1.38444e+02 6.42045e+00 1.78600e+02 144.266 -2.18152e+01 1.56951e+01  0.00000e+00 0.00000e+00 1.85868e+02 144.266 7.26785e+00 144.266 0.9812 
1 1 1 21 8  3  o 16 6.54226e+01 1.14054e+01 1.02039e+02 160.914 -6.06338e+00 2.09798e+00  0.00000e+00 0.00000e+00 5.91278e+01 160.914 4.29111e+01 340.914 0.9184 
1 1 1 21 8  4  o 12 1.26389e+02 6.52776e+00 2.01105e+02 151.419 -2.41340e+01 1.31479e+01  0.00000e+00 0.00000e+00 1.31598e+02 151.419 6.95063e+01 331.419 0.9816 
1 1 1 21 8  5  o 6  1.45545e+02 5.97889e+00 1.83854e+02 111.037 -1.04656e+01 2.72112e+01  0.00000e+00 0.00000e+00 1.99538e+02 111.037 1.56838e+01 111.037 0.9827 
1 1 1 21 8  6  o 16 6.59521e+01 1.12651e+01 3.94974e+01 40.253  2.22344e+00  1.88249e+00  0.00000e+00 0.00000e+00 1.02462e+02 40.253  6.29646e+01 40.253  0.8034 
1 1 1 21 8  7  f 0  3.72395e+01 1.11223e+01 9.61801e+01 280.231 7.12942e-01  -3.95004e+00 0.00000e+00 0.00000e+00 1.00167e+01 100.231 1.06197e+02 100.231 0.8641 
1 1 1 21 8  8  o 19 1.03612e+02 7.47044e+00 9.31783e+01 333.956 1.07841e+01  -5.27010e+00 0.00000e+00 0.00000e+00 1.72281e+02 333.956 7.91024e+01 333.956 0.9574 
1 1 1 21 8  9  o 1  8.66687e+01 8.77149e+00 7.10862e+01 246.238 -2.96984e+00 -6.74561e+00 0.00000e+00 0.00000e+00 1.44324e+02 246.238 7.32382e+01 246.238 0.9295 
1 1 1 21 8  10 o 16 6.49748e+01 1.21545e+01 6.72455e+01 22.127  4.33271e+00  1.76170e+00  0.00000e+00 0.00000e+00 8.64515e+01 22.127  1.92060e+01 22.127  0.8853 
1 1 1 21 8  11 o 7  1.02137e+02 7.63867e+00 1.33725e+02 65.519  7.43623e+00  1.63316e+01  0.00000e+00 0.00000e+00 1.31220e+02 65.519  2.50479e+00 245.519 0.9717 
1 1 1 21 8  12 f 0  8.00437e+01 9.90486e+00 1.33876e+02 14.157  1.26976e+01  3.20282e+00  0.00000e+00 0.00000e+00 7.12691e+01 14.157  6.26064e+01 194.157 0.9610 
1 1 1 21 8  15 o 13 4.34696e+01 1.27609e+01 4.92515e+01 207.430 -1.71930e+00 -8.92341e-01 0.00000e+00 0.00000e+00 3.01315e+01 207.430 1.91200e+01 27.430  0.6872 
1 1 1 21 8  16 o 10 9.43372e+01 8.35659e+00 1.53178e+02 186.268 -2.06516e+01 -2.26835e+00 0.00000e+00 0.00000e+00 9.10901e+01 186.268 6.20883e+01 6.268   0.9756 
1 1 1 21 8  17 o 3  5.37214e+01 1.25929e+01 4.04008e+01 334.467 2.39333e+00  -1.14324e+00 0.00000e+00 0.00000e+00 7.07362e+01 334.467 3.03355e+01 334.467 0.7806 
1 1 1 21 8  18 o 6  1.04791e+02 9.28203e+00 1.22399e+02 340.480 1.71006e+01  -6.06225e+00 0.00000e+00 0.00000e+00 1.47149e+02 340.480 2.47503e+01 340.480 0.9720 
1 1 1 21 8  19 o 5  1.30822e+02 7.40499e+00 1.05741e+02 156.774 -1.89424e+01 8.12901e+00  0.00000e+00 0.00000e+00 2.31401e+02 156.774 1.25660e+02 156.774 0.9754 
1 1 1 21 8  20 o 8  8.30019e+01 1.02751e+01 1.40984e+02 345.173 1.47078e+01  -3.89334e+00 0.00000e+00 0.00000e+00 7.06172e+01 345.173 7.03664e+01 165.173 0.9666 
1 1 1 21 8  21 o 13 5.13399e+01 1.20406e+01 5.11770e+01 108.067 -1.04269e+00 3.19632e+00  0.00000e+00 0.00000e+00 6.14979e+01 108.067 1.03209e+01 108.067 0.8336 
1 1 1 21 8  22 o 8  4.74916e+01 1.22994e+01 4.54837e+01 147.555 -2.29028e+00 1.45596e+00  0.00000e+00 0.00000e+00 5.26648e+01 147.555 7.18106e+00 147.555 0.7864 
1 1 1 21 8  23 o 16 4.65263e+01 1.19289e+01 3.00700e+01 36.964  1.47010e+00  1.10636e+00  0.00000e+00 0.00000e+00 5.16506e+01 36.964  2.15806e+01 36.964  0.6696 
1 1 1 21 8  24 o 1  1.12490e+02 7.24158e+00 1.29613e+02 181.062 -2.54810e+01 -4.72580e-01 0.00000e+00 0.00000e+00 1.59007e+02 181.062 2.93937e+01 181.062 0.9802 
1 1 1 21 8  25 o 9  4.90769e+01 1.00915e+01 1.01500e+01 137.986 -5.75933e-01 5.18835e-01  0.00000e+00 0.00000e+00 3.61425e+01 137.986 2.59925e+01 137.986 0.3611 
1 1 1 21 8  26 f 0  9.72975e+01 7.82242e+00 1.04205e+02 224.885 -1.22261e+01 -1.21772e+01 0.00000e+00 0.00000e+00 1.41924e+02 224.885 3.77192e+01 224.885 0.9706 
1 1 1 21 8  27 o 2  8.02673e+01 9.89597e+00 1.04734e+02 39.362  1.00024e+01  8.20503e+00  0.00000e+00 0.00000e+00 9.57559e+01 39.362  8.97784e+00 219.362 0.9605 
1 1 1 21 8  28 o 9  6.43863e+01 1.17670e+01 5.83917e+01 333.128 5.33529e+00  -2.70347e+00 0.00000e+00 0.00000e+00 9.39532e+01 333.128 3.55615e+01 333.128 0.9121 
1 1 1 21 8  29 o 4  5.98308e+01 1.22817e+01 8.35031e+01 206.719 -6.86156e+00 -3.45394e+00 0.00000e+00 0.00000e+00 6.08694e+01 206.719 2.26336e+01 26.720  0.9324 
1 1 1 21 8  30 o 3  1.11899e+02 8.49670e+00 1.56337e+02 47.188  2.13648e+01  2.30625e+01  0.00000e+00 0.00000e+00 1.27874e+02 47.188  2.84634e+01 227.188 0.9840 
1 1 1 21 8  31 o 18 7.39643e+01 1.20305e+01 7.37194e+01 2.348   8.37841e+00  3.43582e-01  0.00000e+00 0.00000e+00 1.04958e+02 2.348   3.12386e+01 2.348   0.9383 
1 1 1 21 8  32 o 2  3.50068e+01 1.12138e+01 7.66646e+01 42.117  3.41613e+00  3.08859e+00  0.00000e+00 0.00000e+00 2.73088e+00 42.117  7.39338e+01 222.117 0.8833 
1 1 1 21 8  33 o 6  5.75087e+01 1.40995e+01 7.47270e+01 16.332  6.43483e+00  1.88560e+00  0.00000e+00 0.00000e+00 6.10419e+01 16.332  1.36851e+01 196.332 0.9221 
1 1 1 21 8  34 o 10 3.52858e+01 1.10036e+01 1.64405e+00 50.091  7.13036e-02  8.52510e-02  0.00000e+00 0.00000e+00 3.35408e+00 50.091  1.71003e+00 50.091  0.0555 
1 1 1 21 8  35 o 8  3.46161e+01 1.09437e+01 4.10851e+01 240.143 -1.43927e+00 -2.50736e+00 0.00000e+00 0.00000e+00 2.95437e+01 240.143 1.15414e+01 60.143  0.8016 
1 1 1 21 8  36 o 7  4.20073e+01 1.19969e+01 7.42603e+01 232.178 -3.63670e+00 -4.68465e+00 0.00000e+00 0.00000e+00 2.28771e+01 232.178 5.13832e+01 52.178  0.9113 
1 1 1 21 8  37 o 3  3.51692e+01 1.11577e+01 5.42544e+01 198.556 -3.86445e+00 -1.29726e+00 0.00000e+00 0.00000e+00 2.28231e+01 198.556 3.14313e+01 18.556  0.8664 
1 1 1 21 8  38 o 10 3.67172e+01 1.14080e+01 1.42772e+01 12.841  1.10409e+00  2.51681e-01  0.00000e+00 0.00000e+00 3.12109e+01 12.841  1.69337e+01 12.841  0.4913 
1 1 1 21 8  39 o 13 3.16612e+01 1.02927e+01 3.56949e+01 84.352  2.78584e-01  2.81694e+00  0.00000e+00 0.00000e+00 2.76911e+01 84.352  8.00385e+00 264.352 0.7966 
1 1 1 21 9  0  o 8  6.08372e+01 1.99055e+01 3.41196e+01 180.000 -1.10045e+00 0.00000e+00  0.00000e+00 0.00000e+00 9.69083e+01 180.000 6.27887e+01 180.000 0.8007 
1 1 1 21 9  1  o 6  1.28221e+02 7.09489e+00 1.50989e+02 74.013  7.16132e+00  2.49965e+01  0.00000e+00 0.00000e+00 1.87206e+02 74.013  3.62172e+01 74.013  0.9806 
1 1 1 21 9  2  o 3  5.45023e+01 1.23693e+01 1.11936e+02 113.454 -2.74944e+00 6.33726e+00  0.00000e+00 0.00000e+00 2.35791e+01 113.454 8.83567e+01 293.454 0.9245 
1 1 1 21 9  3  o 3  3.05281e+01 1.00183e+01 1.08921e+01 14.522  3.95808e-01  1.02524e-01  0.00000e+00 0.00000e+00 5.54832e+00 14.522  5.34377e+00 194.522 0.2003 
1 1 1 21 9  4  o 11 1.50855e+02 5.87045e+00 1.36654e+02 289.197 9.33782e+00  -2.68196e+01 0.00000e+00 0.00000e+00 2.61655e+02 289.197 1.25001e+02 289.197 0.9822 
1 1 1 21 9  5  o 18 1.00102e+02 8.33539e+00 1.02695e+02 210.605 -1.14228e+01 -6.75687e+00 0.00000e+00 0.00000e+00 1.55944e+02 210.605 5.32487e+01 210.605 0.9616 
1 1 1 21 9  6  o 11 5.29885e+01 1.21333e+01 1.20322e+02 292.443 2.76295e+00  -6.68907e+00 0.00000e+00 0.00000e+00 1.17595e+01 292.443 1.08563e+02 112.443 0.9281 
1 1 1 21 9  7  o 15 6.44661e+01 2.16154e+01 7.22301e+01 248.830 -1.28099e+00 -3.30773e+00 0.00000e+00 0.00000e+00 7.37380e+01 248.830 1.50793e+00 248.830 0.8435 
1 1 1 21 9  11 o 18 1.08114e+02 7.47627e+00 1.18873e+02 316.602 9.73555e+00  -9.20579e+00 0.00000e+00 0.00000e+00 1.59421e+02 316.602 4.05485e+01 316.602 0.9619 
1 1 1 21 9  12 o 5  1.27101e+02 6.46677e+00 1.55347e+02 227.679 -2.03140e+01 -2.23081e+01 0.00000e+00 0.00000e+00 1.78754e+02 227.679 2.34066e+01 227.679 0.9833 
1 1 1 21 9  13 f 0  5.09948e+01 1.25043e+01 1.34917e+02 131.991 -5.67379e+00 6.30327e+00  0.00000e+00 0.00000e+00 7.04017e+00 311.991 1.41958e+02 311.991 0.9390 
1 1 1 21 9  14 o 9  1.28366e+02 7.09403e+00 1.74403e+02 149.083 -2.93968e+01 1.76056e+01  0.00000e+00 0.00000e+00 1.62956e+02 149.083 1.14472e+01 329.083 0.9853 
1 1 1 21 9  15 o 14 2.14236e+02 5.25067e+00 2.68789e+02 105.622 -2.47167e+01 8.83938e+01  0.00000e+00 0.00000e+00 2.98814e+02 105.622 3.00254e+01 105.622 0.9945 
1 1 1 21 9  16 o 9  5.22678e+01 1.20427e+01 2.90133e+01 174.324 -1.91420e+00 1.90251e-01  0.00000e+00 0.00000e+00 6.62145e+01 174.324 3.72012e+01 174.324 0.6848 
1 1 1 21 9  17 o 19 5.07105e+01 1.21212e+01 1.06642e+02 208.215 -5.80649e+00 -3.11540e+00 0.00000e+00 0.00000e+00 1.73864e+01 208.215 8.92553e+01 28.215  0.9206 
1 1 1 21 9  18 o 7  5.31692e+01 1.15582e+01 3.23530e+01 201.873 -1.97473e+00 -7.92772e-01 0.00000e+00 0.00000e+00 6.88702e+01 201.873 3.65172e+01 201.873 0.7177 
1 1 1 21 9  19 o 9  9.12176e+01 8.37796e+00 1.22499e+02 272.173 6.19191e-01  -1.63212e+01 0.00000e+00 0.00000e+00 1.11565e+02 272.173 1.09336e+01 92.173  0.9689 
1 1 1 21 9  20 o 19 5.62315e+01 1.15431e+01 4.70352e+01 325.640 2.93737e+00  -2.00823e+00 0.00000e+00 0.00000e+00 7.84578e+01 325.640 3.14226e+01 325.640 0.8441 
1 1 1 21 9  21 o 10 4.74757e+01 1.17672e+01 7.77985e+01 121.283 -2.53738e+00 4.17601e+00  0.00000e+00 0.00000e+00 3.38049e+01 121.283 4.39935e+01 301.283 0.8907 
1 1 1 21 9  22 o 18 4.07799e+01 1.14067e+01 9.91765e+01 259.185 -1.12647e+00 -5.89663e+00 0.00000e+00 0.00000e+00 1.15668e+00 79.185  1.00333e+02 79.185  0.9124 
1 1 1 21 9  23 o 6  4.28113e+01 1.19169e+01 1.16011e+01 95.390  -6.79577e-02 7.20307e-01  0.00000e+00 0.00000e+00 2.66676e+01 95.390  1.50665e+01 95.390  0.3400 
1 1 1 21 9  24 o 6  4.18574e+01 1.19356e+01 3.33949e+01 300.949 1.03796e+00  -1.73095e+00 0.00000e+00 0.00000e+00 4.35704e+01 300.949 1.01755e+01 300.949 0.7008 
1 1 1 21 9  25 o 3  4.12027e+01 1.18830e+01 3.57418e+01 322.862 1.66613e+00  -1.26184e+00 0.00000e+00 0.00000e+00 4.10747e+01 322.862 5.33285e+00 322.862 0.7120 
1 1 1 21 9  26 o 15 5.04432e+01 1.21086e+01 5.30344e+01 163.169 -4.01539e+00 1.21467e+00  0.00000e+00 0.00000e+00 6.17057e+01 163.169 8.67128e+00 163.169 0.8706 
1 1 1 21 9  27 o 16 6.49294e+01 1.17691e+01 4.59344e+01 5.990   4.69009e+00  4.92150e-01  0.00000e+00 0.00000e+00 1.04080e+02 5.990   5.81458e+01 5.990   0.8863 
1 1 1 21 9  28 o 13 5.73362e+01 1.27955e+01 5.01828e+01 229.234 -2.79419e+00 -3.24099e+00 0.00000e+00 0.00000e+00 8.00529e+01 229.234 2.98701e+01 229.234 0.8735 
1 1 1 21 9  29 o 16 3.75837e+01 1.16175e+01 6.43354e+01 100.780 -7.12444e-01 3.74195e+00  0.00000e+00 0.00000e+00 1.90985e+01 100.780 4.52369e+01 280.780 0.8558 
1 1 1 21 9  30 o 15 9.89361e+01 9.18602e+00 1.13904e+02 357.493 2.13920e+01  -9.36647e-01 0.00000e+00 0.00000e+00 1.36044e+02 357.493 2.21404e+01 357.493 0.9764 
1 1 1 21 9  31 o 13 3.96367e+01 1.16565e+01 6.49007e+01 323.504 3.70925e+00  -2.74434e+00 0.00000e+00 0.00000e+00 2.54831e+01 323.504 3.94176e+01 143.504 0.8836 
1 1 1 21 9  32 o 9  9.23037e+01 8.94409e+00 6.64946e+01 341.488 1.24882e+01  -4.18130e+00 0.00000e+00 0.00000e+00 1.61864e+02 341.488 9.53693e+01 341.488 0.9613 
1 1 1 21 9  33 o 5  4.02696e+01 1.17471e+01 6.19645e+01 256.813 -1.11109e+00 -4.74215e+00 0.00000e+00 0.00000e+00 3.00495e+01 256.813 3.19150e+01 76.813  0.8903 
1 1 1 21 9  34 o 4  5.61473e+01 1.26800e+01 6.86150e+01 309.902 4.53861e+00  -5.42765e+00 0.00000e+00 0.00000e+00 6.44913e+01 309.902 4.12375e+00 129.902 0.9264 
1 1 1 21 9  35 o 16 5.00046e+01 1.27960e+01 5.90542e+01 63.596  2.54939e+00  5.13474e+00  0.00000e+00 0.00000e+00 5.67942e+01 63.596  2.25999e+00 243.596 0.9080 
1 1 1 21 9  36 o 18 3.63677e+01 1.12414e+01 6.42854e+01 123.599 -2.84275e+00 4.27878e+00  0.00000e+00 0.00000e+00 1.86455e+01 123.599 4.56399e+01 303.599 0.8965 
1 1 1 21 9  37 o 10 5.00080e+01 1.25353e+01 3.13258e+01 50.970  1.95983e+00  2.41763e+00  0.00000e+00 0.00000e+00 7.23947e+01 50.970  4.10689e+01 50.970  0.8180 
1 1 1 21 9  38 o 8  3.95088e+01 1.21021e+01 6.09242e+01 87.580  2.25221e-01  5.32882e+00  0.00000e+00 0.00000e+00 2.90072e+01 87.580  3.19170e+01 267.580 0.9006 
1 1 1 21 10 0  o 10 9.47777e+01 1.22653e+01 1.18009e+02 180.000 -8.07912e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.37629e+02 180.000 1.96197e+01 180.000 1.0000 
1 1 1 21 10 1  f 0  1.24365e+02 7.09482e+00 6.64169e+01 201.234 -1.16868e+01 -4.54096e+00 0.00000e+00 0.00000e+00 2.55342e+02 201.234 1.88925e+02 201.234 0.9593 
1 1 1 21 10 2  o 14 9.39815e+01 8.41844e+00 1.31827e+02 235.288 -1.02703e+01 -1.48257e+01 0.00000e+00 0.00000e+00 1.14489e+02 235.288 1.73378e+01 55.288  0.9719 
1 1 1 21 10 3  o 15 1.73586e+02 5.44128e+00 1.71902e+02 226.313 -3.26085e+01 -3.41379e+01 0.00000e+00 0.00000e+00 2.91134e+02 226.313 1.19232e+02 226.313 0.9894 
1 1 1 21 10 4  o 13 1.07288e+02 7.46397e+00 1.41687e+02 6.919   2.25792e+01  2.73990e+00  0.00000e+00 0.00000e+00 1.41064e+02 6.919   6.22507e-01 186.919 0.9778 
1 1 1 21 10 5  o 8  6.28030e+01 1.17509e+01 6.97302e+01 352.086 5.55601e+00  -7.72351e-01 0.00000e+00 0.00000e+00 8.35467e+01 352.086 1.38164e+01 352.086 0.9058 
1 1 1 21 10 6  o 19 1.13839e+02 7.29043e+00 1.35380e+02 353.745 2.29347e+01  -2.51395e+00 0.00000e+00 0.00000e+00 1.64476e+02 353.745 2.90964e+01 353.745 0.9781 
1 1 1 21 10 7  o 4  7.66350e+01 1.05374e+01 9.88066e+01 80.836  1.61238e+00  9.99541e+00  0.00000e+00 0.00000e+00 9.69919e+01 80.836  1.81475e+00 260.836 0.9493 
1 1 1 21 10 8  o 3  3.76006e+01 1.15605e+01 3.85948e+01 288.979 6.04624e-01  -1.75809e+00 0.00000e+00 0.00000e+00 2.94948e+01 288.979 9.10000e+00 108.979 0.6732 
1 1 1 21 10 9  o 5  8.38062e+01 9.95137e+00 1.14189e+02 105.755 -3.62847e+00 1.28609e+01  0.00000e+00 0.00000e+00 1.02468e+02 105.755 1.17214e+01 285.755 0.9618 
1 1 1 21 10 10 f 0  5.72212e+01 1.27244e+01 8.82318e+01 175.233 -6.26287e+00 5.22314e-01  0.00000e+00 0.00000e+00 5.26212e+01 175.233 3.56106e+01 355.233 0.9166 
1 1 1 21 10 11 o 4  8.17208e+01 1.06220e+01 1.13842e+02 315.418 8.94841e+00  -8.81882e+00 0.00000e+00 0.00000e+00 9.65141e+01 315.418 1.73283e+01 135.418 0.9593 
1 1 1 21 10 12 o 17 4.31798e+01 1.20283e+01 4.86537e+01 326.480 2.15907e+00  -1.43014e+00 0.00000e+00 0.00000e+00 4.09812e+01 326.480 7.67257e+00 146.480 0.7744 
1 1 1 21 10 13 o 14 5.98743e+01 1.09700e+01 1.16381e+02 95.395  -8.37343e-01 8.86647e+00  0.00000e+00 0.00000e+00 3.46520e+01 95.395  8.17294e+01 275.395 0.9421 
1 1 1 21 10 14 o 10 1.15622e+02 7.09735e+00 1.36540e+02 23.198  2.09382e+01  8.97339e+00  0.00000e+00 0.00000e+00 1.65830e+02 23.198  2.92900e+01 23.198  0.9778 
1 1 1 21 10 15 o 10 1.37068e+02 6.28299e+00 1.39498e+02 53.348  1.79036e+01  2.40614e+01  0.00000e+00 0.00000e+00 2.20479e+02 53.348  8.09819e+01 53.348  0.9832 
1 1 1 21 10 16 o 14 1.13937e+02 7.26037e+00 9.38479e+01 340.961 1.53203e+01  -5.28684e+00 0.00000e+00 0.00000e+00 2.00562e+02 340.961 1.06714e+02 340.961 0.9686 
1 1 1 21 10 17 o 8  8.59404e+01 8.82250e+00 1.46829e+02 26.588  1.68845e+01  8.45066e+00  0.00000e+00 0.00000e+00 7.59531e+01 26.588  7.08761e+01 206.588 0.9731 
1 1 1 21 10 18 o 3  1.03199e+02 7.48014e+00 1.35513e+02 225.418 -1.52396e+01 -1.54638e+01 0.00000e+00 0.00000e+00 1.32576e+02 225.418 2.93711e+00 45.418  0.9767 
1 1 1 21 10 19 o 2  9.00691e+01 8.54529e+00 1.07364e+02 191.141 -1.59328e+01 -3.13778e+00 0.00000e+00 0.00000e+00 1.24334e+02 191.141 1.69696e+01 191.141 0.9687 
1 1 1 21 10 20 o 8  5.21083e+01 1.16641e+01 3.50596e+01 234.374 -1.55647e+00 -2.17194e+00 0.00000e+00 0.00000e+00 7.30359e+01 234.374 3.79763e+01 234.374 0.7825 
1 1 1 21 10 21 o 19 7.99500e+01 1.00477e+01 8.06379e+01 226.322 -7.02312e+00 -7.35488e+00 0.00000e+00 0.00000e+00 1.20254e+02 226.322 3.96159e+01 226.322 0.9495 
1 1 1 21 10 22 o 12 3.55188e+01 1.08415e+01 2.30889e+01 154.810 -1.10965e+00 5.21922e-01  0.00000e+00 0.00000e+00 2.57779e+01 154.810 2.68896e+00 154.810 0.5208 
1 1 1 21 10 23 o 17 3.32277e+01 1.06829e+01 3.44901e+01 144.585 -1.39456e+00 9.91624e-01  0.00000e+00 0.00000e+00 2.19397e+01 144.585 1.25504e+01 324.585 0.6442 
1 1 1 21 10 24 o 14 5.35004e+01 1.07371e+01 8.66203e+01 178.444 -7.76043e+00 2.10805e-01  0.00000e+00 0.00000e+00 4.47352e+01 178.444 4.18851e+01 358.444 0.9332 
1 1 1 21 10 25 o 7  5.62548e+01 1.26812e+01 3.77732e+01 66.242  1.29079e+00  2.93242e+00  0.00000e+00 0.00000e+00 8.39286e+01 66.242  4.61554e+01 66.242  0.8240 
1 1 1 21 10 26 o 5  3.76005e+01 1.15908e+01 1.42149e+01 199.623 -8.02113e-01 -2.85981e-01 0.00000e+00 0.00000e+00 2.43328e+01 199.623 1.01178e+01 199.623 0.3913 
1 1 1 21 10 27 o 1  5.58685e+01 1.23589e+01 6.71181e+01 161.132 -5.40025e+00 1.84552e+00  0.00000e+00 0.00000e+00 6.54073e+01 161.132 1.71081e+00 341.132 0.9075 
1 1 1 21 10 28 o 4  5.33554e+01 1.17488e+01 1.06184e+02 0.934   9.52690e+00  1.55384e-01  0.00000e+00 0.00000e+00 2.54253e+01 0.934   8.07590e+01 180.934 0.9460 
1 1 1 21 10 29 o 5  8.45018e+01 1.10550e+01 9.39003e+01 203.366 -1.35261e+01 -5.84367e+00 0.00000e+00 0.00000e+00 1.18305e+02 203.366 2.44051e+01 203.366 0.9654 
1 1 1 21 10 30 o 6  8.14386e+01 9.90876e+00 1.09970e+02 347.514 1.79309e+01  -3.97066e+00 0.00000e+00 0.00000e+00 9.54890e+01 347.514 1.44808e+01 167.514 0.9724 
1 1 1 21 10 31 o 16 8.77698e+01 8.99082e+00 1.07966e+02 269.085 -3.46366e-01 -2.16862e+01 0.00000e+00 0.00000e+00 1.13857e+02 269.085 5.89045e+00 269.085 0.9767 
1 1 1 21 10 32 o 17 5.46270e+01 1.24306e+01 8.94666e+01 102.413 -1.96386e+00 8.92282e+00  0.00000e+00 0.00000e+00 4.35539e+01 102.413 4.59126e+01 282.413 0.9436 
1 1 1 21 10 33 o 4  5.91066e+01 1.17233e+01 6.98240e+01 20.099  8.07674e+00  2.95547e+00  0.00000e+00 0.00000e+00 7.31469e+01 20.099  3.32281e+00 20.099  0.9399 
1 1 1 21 10 34 o 1  4.13277e+01 1.18898e+01 3.63784e+01 221.916 -2.36797e+00 -2.12583e+00 0.00000e+00 0.00000e+00 5.08570e+01 221.916 1.44787e+01 221.916 0.8226 
1 1 1 21 10 35 o 3  5.10674e+01 1.24550e+01 4.78570e+01 336.211 4.48251e+00  -1.97604e+00 0.00000e+00 0.00000e+00 6.85505e+01 336.211 2.06935e+01 336.211 0.8910 
1 1 1 21 10 36 o 16 9.37341e+01 8.84511e+00 8.55180e+01 250.974 -7.20802e+00 -2.09023e+01 0.00000e+00 0.00000e+00 1.48088e+02 250.974 6.25697e+01 250.974 0.9771 
1 1 1 21 11 0  o 19 2.36929e+01 1.60032e+01 7.75637e+01 0.000   1.17182e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.46934e+01 180.000 1.02257e+02 180.000 0.8249 
1 1 1 21 11 1  o 4  5.77528e+01 1.26943e+01 8.84367e+01 52.769  3.72744e+00  4.90516e+00  0.00000e+00 0.00000e+00 5.44820e+01 52.769  3.39548e+01 232.769 0.9148 
1 1 1 21 11 2  o 14 1.60705e+02 5.98550e+00 2.18761e+02 233.888 -3.13935e+01 -4.30320e+01 0.00000e+00 0.00000e+00 2.11818e+02 233.888 6.94315e+00 53.888  0.9906 
1 1 1 21 11 3  o 1  9.53492e+01 9.29004e+00 1.55127e+02 348.180 1.98586e+01  -4.15574e+00 0.00000e+00 0.00000e+00 9.62837e+01 348.180 5.88436e+01 168.180 0.9750 
1 1 1 21 11 4  o 18 1.02813e+02 8.49810e+00 8.24295e+01 98.027  -1.66426e+00 1.18016e+01  0.00000e+00 0.00000e+00 1.83591e+02 98.027  1.01161e+02 98.027  0.9571 
1 1 1 21 11 5  o 4  8.83390e+01 9.71153e+00 1.07043e+02 227.968 -8.52900e+00 -9.46173e+00 0.00000e+00 0.00000e+00 1.22112e+02 227.968 1.50697e+01 227.968 0.9599 
1 1 1 21 11 6  o 5  1.17567e+02 7.87879e+00 1.58041e+02 29.258  2.31417e+01  1.29640e+01  0.00000e+00 0.00000e+00 1.53476e+02 29.258  4.56531e+00 209.258 0.9810 
1 1 1 21 11 7  o 9  6.16071e+01 1.33579e+01 1.00774e+02 180.233 -7.22269e+00 -2.94275e-02 0.00000e+00 0.00000e+00 5.35552e+01 180.233 4.72186e+01 0.233   0.9279 
1 1 1 21 11 8  o 11 7.41280e+01 1.13741e+01 1.06317e+02 208.289 -9.24373e+00 -4.97487e+00 0.00000e+00 0.00000e+00 8.38901e+01 208.289 2.24273e+01 28.289  0.9511 
1 1 1 21 11 9  o 12 1.52356e+02 6.24610e+00 1.35072e+02 86.225  2.14620e+00  3.25241e+01  0.00000e+00 0.00000e+00 2.69310e+02 86.225  1.34238e+02 86.225  0.9845 
1 1 1 21 11 10 o 13 3.94816e+01 1.10287e+01 6.36351e+01 234.827 -1.94156e+00 -2.75514e+00 0.00000e+00 0.00000e+00 2.50653e+01 234.827 3.85698e+01 54.827  0.8340 
1 1 1 21 11 11 o 11 5.01904e+01 1.18661e+01 3.98286e+01 27.397  2.29249e+00  1.18818e+00  0.00000e+00 0.00000e+00 6.46695e+01 27.397  2.48408e+01 27.397  0.7736 
1 1 1 21 11 12 o 9  4.60245e+01 1.18925e+01 4.50410e+01 70.809  9.10071e-01  2.61462e+00  0.00000e+00 0.00000e+00 5.28734e+01 70.809  7.83241e+00 70.809  0.7913 
1 1 1 21 11 13 o 10 7.01649e+01 1.08740e+01 8.01894e+01 11.570  7.64481e+00  1.56502e+00  0.00000e+00 0.00000e+00 9.57242e+01 11.570  1.55347e+01 11.570  0.9335 
1 1 1 21 11 14 o 3  8.66559e+01 9.09484e+00 8.96230e+01 242.836 -5.23659e+00 -1.02052e+01 0.00000e+00 0.00000e+00 1.32457e+02 242.836 4.28340e+01 242.836 0.9554 
1 1 1 21 11 15 o 8  3.55875e+01 1.08840e+01 4.58632e+01 322.164 1.97377e+00  -1.53302e+00 0.00000e+00 0.00000e+00 2.70669e+01 322.164 1.87963e+01 142.164 0.7649 
1 1 1 21 11 16 o 1  5.67627e+01 1.20295e+01 8.30772e+01 2.954   6.80771e+00  3.51245e-01  0.00000e+00 0.00000e+00 5.71669e+01 2.954   2.59103e+01 182.954 0.9234 
1 1 1 21 11 17 o 17 4.21215e+01 1.13682e+01 3.62534e+01 81.551  3.36443e-01  2.26501e+00  0.00000e+00 0.00000e+00 4.70338e+01 81.551  1.07803e+01 81.551  0.7401 
1 1 1 21 11 18 o 2  1.22939e+02 7.91039e+00 1.24061e+02 348.209 2.56520e+01  -5.35477e+00 0.00000e+00 0.00000e+00 1.97590e+02 348.209 7.35291e+01 348.209 0.9807 
1 1 1 21 11 19 o 13 3.44425e+01 1.10300e+01 5.87786e+01 126.263 -1.77948e+00 2.42576e+00  0.00000e+00 0.00000e+00 1.55847e+01 126.263 4.31939e+01 306.263 0.8106 
1 1 1 21 11 20 o 18 6.12099e+01 1.24404e+01 1.12889e+02 226.405 -7.40934e+00 -7.78194e+00 0.00000e+00 0.00000e+00 4.21004e+01 226.405 7.07884e+01 46.405  0.9523 
1 1 1 21 11 21 o 16 9.69797e+01 9.03073e+00 1.19063e+02 182.375 -2.09795e+01 -8.70051e-01 0.00000e+00 0.00000e+00 1.32146e+02 182.375 1.30824e+01 182.375 0.9759 
1 1 1 21 11 22 o 12 4.42706e+01 1.14475e+01 4.67622e+01 209.621 -2.89612e+00 -1.64662e+00 0.00000e+00 0.00000e+00 5.07993e+01 209.621 4.03708e+00 209.621 0.8318 
1 1 1 21 11 23 o 1  4.64082e+01 1.18899e+01 7.96155e+01 41.405  4.33303e+00  3.82071e+00  0.00000e+00 0.00000e+00 3.19019e+01 41.405  4.77137e+01 221.405 0.9087 
1 1 1 21 11 24 o 7  6.88277e+01 1.14095e+01 7.35189e+01 23.629  7.43463e+00  3.25262e+00  0.00000e+00 0.00000e+00 9.65215e+01 23.629  2.30026e+01 23.629  0.9362 
1 1 1 21 11 25 o 6  5.42213e+01 1.23686e+01 7.54328e+01 91.194  -1.39626e-01 6.69901e+00  0.00000e+00 0.00000e+00 5.62167e+01 91.194  1.92161e+01 271.194 0.9220 
1 1 1 21 11 26 o 5  6.77519e+01 1.11682e+01 3.81422e+01 18.538  4.55642e+00  1.52795e+00  0.00000e+00 0.00000e+00 1.20061e+02 18.538  8.19188e+01 18.538  0.8887 
1 1 1 21 11 27 o 11 3.65819e+01 1.11932e+01 5.37336e+01 230.041 -2.32609e+00 -2.77618e+00 0.00000e+00 0.00000e+00 2.75161e+01 230.041 2.62174e+01 50.041  0.8472 
1 1 1 21 11 28 o 8  6.70162e+01 1.10162e+01 7.47624e+01 261.279 -1.46777e+00 -9.56811e+00 0.00000e+00 0.00000e+00 9.11912e+01 261.279 1.64289e+01 261.279 0.9468 
1 1 1 21 11 29 f 0  1.02615e+02 8.09435e+00 9.11229e+01 271.889 7.40603e-01  -2.24542e+01 0.00000e+00 0.00000e+00 1.70562e+02 271.889 7.94394e+01 271.889 0.9775 
1 1 1 21 11 30 o 6  7.92424e+01 1.18964e+01 9.30629e+01 106.302 -3.99789e+00 1.36703e+01  0.00000e+00 0.00000e+00 1.05772e+02 106.302 1.27091e+01 106.302 0.9642 
1 1 1 21 11 31 o 13 4.46227e+01 1.23781e+01 4.72193e+01 181.908 -4.21306e+00 -1.40339e-01 0.00000e+00 0.00000e+00 5.36934e+01 181.908 6.47408e+00 181.908 0.8713 
1 1 1 21 11 32 o 9  6.05296e+01 1.22348e+01 3.90489e+01 86.644  2.86741e-01  4.88914e+00  0.00000e+00 0.00000e+00 1.00541e+02 86.644  6.14919e+01 86.644  0.8910 
1 1 1 21 11 33 o 15 5.92692e+01 1.14821e+01 7.41558e+01 40.627  7.12661e+00  6.11397e+00  0.00000e+00 0.00000e+00 7.04358e+01 40.627  3.72000e+00 220.627 0.9451 
1 1 1 21 11 34 o 10 4.06748e+01 1.17704e+01 5.90985e+01 225.482 -3.84248e+00 -3.90764e+00 0.00000e+00 0.00000e+00 3.54787e+01 225.482 2.36198e+01 45.482  0.9034 
1 1 1 21 12 0  o 12 2.24003e+01 1.55614e+01 8.14158e+01 0.000   1.26895e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.95240e+01 180.000 1.10940e+02 180.000 0.8535 
1 1 1 21 12 1  o 7  5.56155e+01 1.39385e+01 3.81056e+01 130.844 -1.69423e+00 1.95972e+00  0.00000e+00 0.00000e+00 7.87992e+01 130.844 4.06936e+01 130.844 0.7745 
1 1 1 21 12 2  o 15 5.33540e+01 1.31088e+01 8.50417e+01 3.524   5.74699e+00  3.53880e-01  0.00000e+00 0.00000e+00 4.64856e+01 3.524   3.85561e+01 183.524 0.9084 
1 1 1 21 12 3  o 19 7.30875e+01 1.22708e+01 1.23563e+02 36.674  9.53264e+00  7.09881e+00  0.00000e+00 0.00000e+00 6.61964e+01 36.674  5.73669e+01 216.674 0.9570 
1 1 1 21 12 4  o 5  1.88746e+02 5.98676e+00 2.09266e+02 103.071 -1.47613e+01 6.35765e+01  0.00000e+00 0.00000e+00 2.98728e+02 103.071 8.94621e+01 103.071 0.9923 
1 1 1 21 12 5  o 15 1.11910e+02 7.86749e+00 1.72462e+02 272.362 1.23928e+00  -3.00486e+01 0.00000e+00 0.00000e+00 1.25864e+02 272.362 4.65984e+01 92.362  0.9832 
1 1 1 21 12 6  o 2  4.64642e+01 1.22137e+01 3.08331e+01 255.555 -4.69261e-01 -1.82176e+00 0.00000e+00 0.00000e+00 5.44461e+01 255.555 2.36130e+01 255.555 0.6773 
1 1 1 21 12 7  o 3  9.74247e+01 8.31015e+00 7.99415e+01 178.998 -1.34228e+01 2.34828e-01  0.00000e+00 0.00000e+00 1.73900e+02 178.998 9.39586e+01 178.998 0.9620 
1 1 1 21 12 8  o 5  1.40604e+02 6.15557e+00 1.47774e+02 292.300 1.46084e+01  -3.56187e+01 0.00000e+00 0.00000e+00 2.27821e+02 292.300 8.00472e+01 292.300 0.9869 
1 1 1 21 12 9  o 18 1.09812e+02 7.35057e+00 1.44336e+02 149.360 -2.41983e+01 1.43334e+01  0.00000e+00 0.00000e+00 1.47341e+02 149.360 3.00480e+00 149.360 0.9821 
1 1 1 21 12 10 o 11 5.68849e+01 1.21372e+01 2.93853e+01 193.874 -2.34565e+00 -5.79359e-01 0.00000e+00 0.00000e+00 8.67667e+01 193.874 5.73814e+01 193.874 0.7556 
1 1 1 21 12 11 o 10 7.34160e+01 1.06467e+01 1.12070e+02 73.192  3.71496e+00  1.22983e+01  0.00000e+00 0.00000e+00 7.82775e+01 73.192  3.37922e+01 253.192 0.9603 
1 1 1 21 12 12 o 14 4.78623e+01 1.26696e+01 5.25615e+01 59.096  1.82833e+00  3.05440e+00  0.00000e+00 0.00000e+00 5.64217e+01 59.096  3.86018e+00 59.096  0.8442 
1 1 1 21 12 13 o 18 4.21434e+01 1.15624e+01 4.48647e+01 254.778 -7.37232e-01 -2.70930e+00 0.00000e+00 0.00000e+00 4.53767e+01 254.778 5.12004e-01 254.778 0.7947 
1 1 1 21 12 14 o 18 4.70072e+01 1.28270e+01 4.53560e+01 104.607 -7.40965e-01 2.84320e+00  0.00000e+00 0.00000e+00 5.65242e+01 104.607 1.11682e+01 104.607 0.8053 
1 1 1 21 12 15 o 3  5.26580e+01 1.31208e+01 1.34770e+02 264.873 -8.57943e-01 -9.56144e+00 0.00000e+00 0.00000e+00 8.16193e-01 84.873  1.35586e+02 84.873  0.9464 
1 1 1 21 12 16 o 14 5.07653e+01 1.19346e+01 6.91967e+01 135.002 -3.97430e+00 3.97401e+00  0.00000e+00 0.00000e+00 5.42688e+01 135.002 1.49279e+01 315.002 0.9060 
1 1 1 21 12 17 o 6  5.15504e+01 1.10937e+01 5.86242e+01 89.391  5.33734e-02  5.01760e+00  0.00000e+00 0.00000e+00 6.48829e+01 89.391  6.25870e+00 89.391  0.8938 
1 1 1 21 12 18 o 11 1.14813e+02 7.17050e+00 1.33644e+02 349.113 2.94673e+01  -5.66769e+00 0.00000e+00 0.00000e+00 1.68485e+02 349.113 3.48410e+01 349.113 0.9832 
1 1 1 21 12 19 o 14 2.86605e+01 9.62154e+00 3.35639e+01 173.971 -1.67778e+00 1.77187e-01  0.00000e+00 0.00000e+00 1.53831e+01 173.971 1.81808e+01 353.971 0.6391 
1 1 1 21 12 20 o 12 3.34280e+01 1.06326e+01 8.03700e+01 6.373   4.48310e+00  5.00724e-01  0.00000e+00 0.00000e+00 1.83609e+00 186.373 8.22060e+01 186.373 0.8807 
1 1 1 21 12 21 o 4  6.12594e+01 1.20503e+01 7.91245e+01 3.772   7.52773e+00  4.96249e-01  0.00000e+00 0.00000e+00 7.27779e+01 3.772   6.34666e+00 183.772 0.9311 
1 1 1 21 12 22 o 1  7.90882e+01 1.06908e+01 8.95491e+01 222.517 -9.35696e+00 -8.57920e+00 0.00000e+00 0.00000e+00 1.12216e+02 222.517 2.26666e+01 222.517 0.9598 
1 1 1 21 12 23 o 15 3.29218e+01 1.04935e+01 1.56373e+01 232.136 -6.11579e-01 -7.86614e-01 0.00000e+00 0.00000e+00 2.32381e+01 232.136 7.60081e+00 232.136 0.4451 
1 1 1 21 12 24 o 8  3.61659e+01 1.11087e+01 5.70253e+01 203.864 -3.50539e+00 -1.55077e+00 0.00000e+00 0.00000e+00 2.50127e+01 203.864 3.20126e+01 23.864  0.8568 
1 1 1 21 12 25 f 0  3.14007e+01 1.02152e+01 2.19251e+01 237.199 -7.57052e-01 -1.17469e+00 0.00000e+00 0.00000e+00 2.53414e+01 237.199 3.41634e+00 237.199 0.5698 
1 1 1 21 12 26 o 7  3.54204e+01 1.10162e+01 3.91222e+01 6.678   2.82918e+00  3.31255e-01  0.00000e+00 0.00000e+00 3.54021e+01 6.678   3.72012e+00 186.678 0.7981 
1 1 1 21 12 27 o 3  6.41423e+01 1.14380e+01 5.02152e+01 305.074 3.69447e+00  -5.26167e+00 0.00000e+00 0.00000e+00 1.04747e+02 305.074 5.45317e+01 305.074 0.9186 
1 1 1 21 12 28 o 2  5.30680e+01 1.25387e+01 6.82499e+01 173.006 -6.66630e+00 8.17795e-01  0.00000e+00 0.00000e+00 6.01648e+01 173.006 8.08517e+00 353.006 0.9222 
1 1 1 21 12 29 f 0  5.78135e+01 1.23909e+01 3.17396e+01 142.555 -2.90735e+00 2.22648e+00  0.00000e+00 0.00000e+00 9.67553e+01 142.555 6.50157e+01 142.555 0.8491 
1 1 1 21 12 30 o 19 3.34496e+01 1.07083e+01 5.33385e+01 152.598 -3.62072e+00 1.87698e+00  0.00000e+00 0.00000e+00 2.23303e+01 152.598 3.10082e+01 332.598 0.8665 
1 1 1 21 12 31 o 7  8.62060e+01 1.08107e+01 1.09984e+02 58.735  1.09668e+01  1.80622e+01  0.00000e+00 0.00000e+00 1.09114e+02 58.735  8.70434e-01 238.735 0.9760 
1 1 1 21 12 32 o 12 3.41761e+01 1.07985e+01 6.09141e+01 50.914  3.19902e+00  3.93837e+00  0.00000e+00 0.00000e+00 1.85244e+01 50.914  4.23897e+01 230.914 0.8951 
1 1 1 21 13 0  o 9  3.37477e+01 2.07000e+01 7.11986e+01 0.000   1.54159e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.26705e+01 0.000   5.85281e+01 180.000 0.9124 
1 1 1 21 13 1  o 2  4.99687e+01 1.29493e+01 5.69355e+01 161.910 -3.77696e+00 1.23378e+00  0.00000e+00 0.00000e+00 6.04496e+01 161.910 3.51411e+00 161.910 0.8625 
1 1 1 21 13 2  o 8  7.73089e+01 1.21419e+01 4.14414e+01 350.708 4.59045e+00  -7.51049e-01 0.00000e+00 0.00000e+00 1.44806e+02 350.708 1.03364e+02 350.708 0.8846 
1 1 1 21 13 3  o 13 5.90404e+01 1.30626e+01 1.01464e+02 216.909 -6.64415e+00 -4.99024e+00 0.00000e+00 0.00000e+00 4.92809e+01 216.909 5.21834e+01 36.909  0.9377 
1 1 1 21 13 4  o 10 4.37949e+01 1.19313e+01 1.87338e+01 235.053 -6.80380e-01 -9.73585e-01 0.00000e+00 0.00000e+00 4.19398e+01 235.053 2.32059e+01 235.053 0.5090 
1 1 1 21 13 5  o 1  4.00540e+01 1.14175e+01 4.86860e+01 73.224  8.33260e-01  2.76413e+00  0.00000e+00 0.00000e+00 3.86384e+01 73.224  1.00476e+01 253.224 0.8013 
1 1 1 21 13 6  o 3  1.17682e+02 8.66761e+00 1.26739e+02 153.819 -2.22468e+01 1.09375e+01  0.00000e+00 0.00000e+00 1.86785e+02 153.819 6.00458e+01 153.819 0.9796 
1 1 1 21 13 7  o 7  3.64160e+01 1.15673e+01 3.50251e+01 350.592 1.84250e+00  -3.05290e-01 0.00000e+00 0.00000e+00 3.17666e+01 350.592 3.25847e+00 170.592 0.6748 
1 1 1 21 13 8  o 13 5.08510e+01 1.22819e+01 3.83377e+01 224.153 -1.97608e+00 -1.91851e+00 0.00000e+00 0.00000e+00 7.07874e+01 224.153 3.24497e+01 224.153 0.7900 
1 1 1 21 13 9  o 8  6.56507e+01 1.22831e+01 8.32684e+01 188.554 -7.61551e+00 -1.14543e+00 0.00000e+00 0.00000e+00 8.29206e+01 188.554 3.47741e-01 8.554   0.9326 
1 1 1 21 13 10 o 10 7.52070e+01 1.25344e+01 1.33262e+02 2.383   1.55682e+01  6.47888e-01  0.00000e+00 0.00000e+00 6.40487e+01 2.383   6.92137e+01 182.383 0.9674 
1 1 1 21 13 11 o 1  3.65999e+01 1.14872e+01 2.00579e+01 310.173 7.74930e-01  -9.17886e-01 0.00000e+00 0.00000e+00 3.08349e+01 310.173 1.07769e+01 310.173 0.5132 
1 1 1 21 13 12 o 16 4.42575e+01 1.21137e+01 5.20031e+01 269.584 -2.64081e-02 -3.63373e+00 0.00000e+00 0.00000e+00 4.95659e+01 269.584 2.43718e+00 89.584  0.8478 
1 1 1 21 13 13 o 17 3.90652e+01 1.11294e+01 3.29413e+01 294.861 8.92259e-01  -1.92566e+00 0.00000e+00 0.00000e+00 4.27847e+01 294.861 9.84340e+00 294.861 0.7169 
1 1 1 21 13 14 o 8  3.23533e+01 1.04246e+01 4.20076e+01 147.428 -1.94619e+00 1.24332e+00  0.00000e+00 0.00000e+00 2.28811e+01 147.428 1.91265e+01 327.427 0.7426 
1 1 1 21 13 15 o 11 7.47253e+01 1.04528e+01 5.51575e+01 37.327  5.58973e+00  4.26236e+00  0.00000e+00 0.00000e+00 1.31470e+02 37.327  7.63128e+01 37.327  0.9259 
1 1 1 21 13 16 o 7  3.36027e+01 1.06536e+01 1.24265e+01 348.409 6.87326e-01  -1.40970e-01 0.00000e+00 0.00000e+00 1.75240e+01 348.409 5.09748e+00 348.409 0.3309 
1 1 1 21 13 17 o 15 5.85377e+01 1.18705e+01 7.14088e+01 284.830 1.81830e+00  -6.86751e+00 0.00000e+00 0.00000e+00 7.45160e+01 284.830 3.10717e+00 284.830 0.9267 
1 1 1 21 13 18 o 16 8.15948e+01 9.92093e+00 9.48816e+01 294.787 6.07458e+00  -1.31544e+01 0.00000e+00 0.00000e+00 1.16580e+02 294.787 2.16981e+01 294.787 0.9648 
1 1 1 21 13 19 o 9  5.60399e+01 1.23422e+01 4.86976e+01 232.838 -2.88876e+00 -3.81110e+00 0.00000e+00 0.00000e+00 8.47659e+01 232.838 3.60683e+01 232.838 0.8881 
1 1 1 21 13 20 f 0  6.51214e+01 1.17049e+01 7.08093e+01 254.026 -2.29411e+00 -8.01448e+00 0.00000e+00 0.00000e+00 9.27174e+01 254.026 2.19081e+01 254.026 0.9380 
1 1 1 21 13 21 o 2  3.40394e+01 1.07994e+01 1.49447e+01 344.928 9.72041e-01  -2.61776e-01 0.00000e+00 0.00000e+00 2.58780e+01 344.928 1.09333e+01 344.928 0.4487 
1 1 1 21 13 22 o 19 4.32970e+01 1.20076e+01 5.02221e+01 201.567 -3.70885e+00 -1.46593e+00 0.00000e+00 0.00000e+00 4.94585e+01 201.567 7.63633e-01 21.567  0.8631 
1 1 1 21 13 23 o 4  6.29324e+01 1.19529e+01 6.16804e+01 191.247 -7.39910e+00 -1.47136e+00 0.00000e+00 0.00000e+00 9.43326e+01 191.247 3.26522e+01 191.247 0.9311 
1 1 1 21 13 24 o 11 3.80248e+01 1.11363e+01 4.31989e+01 123.003 -1.82199e+00 2.80530e+00  0.00000e+00 0.00000e+00 4.09178e+01 123.003 2.28108e+00 303.003 0.8326 
1 1 1 21 13 25 o 2  5.08253e+01 1.23579e+01 8.27278e+01 228.455 -5.62112e+00 -6.34340e+00 0.00000e+00 0.00000e+00 4.38099e+01 228.455 3.89179e+01 48.455  0.9390 
1 1 1 21 13 26 o 11 4.92025e+01 1.15713e+01 3.97596e+01 135.607 -2.94861e+00 2.88683e+00  0.00000e+00 0.00000e+00 7.32536e+01 135.607 3.34939e+01 135.607 0.8682 
1 1 1 21 13 27 o 1  2.99765e+01 9.94162e+00 2.14153e+01 243.103 -7.00156e-01 -1.38025e+00 0.00000e+00 0.00000e+00 2.66676e+01 243.103 5.25232e+00 243.103 0.6077 
1 1 1 21 13 28 o 14 4.33488e+01 1.20788e+01 9.74403e+01 76.025  2.10451e+00  8.45650e+00  0.00000e+00 0.00000e+00 9.94363e+00 76.025  8.74967e+01 256.025 0.9407 
1 1 1 21 13 29 o 12 9.24333e+01 9.17518e+00 1.12196e+02 50.667  1.79739e+01  2.19342e+01  0.00000e+00 0.00000e+00 1.26285e+02 50.667  1.40885e+01 50.667  0.9822 
1 1 1 21 14 0  o 16 2.20847e+01 1.56302e+01 1.11223e+01 180.000 -2.04085e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.03338e+00 180.000 1.00889e+01 0.000   0.2013 
1 1 1 21 14 1  f 0  4.47806e+01 1.27014e+01 5.06464e+01 247.601 -1.31851e+00 -3.19919e+00 0.00000e+00 0.00000e+00 5.20794e+01 247.601 1.43293e+00 247.601 0.8390 
1 1 1 21 14 2  o 1  8.38143e+01 1.25280e+01 1.08740e+02 117.318 -6.43745e+00 1.24626e+01  0.00000e+00 0.00000e+00 1.12069e+02 117.318 3.32863e+00 117.318 0.9637 
1 1 1 21 14 3  o 10 4.10349e+01 1.23807e+01 3.17611e+01 250.978 -6.58377e-01 -1.90968e+00 0.00000e+00 0.00000e+00 4.68650e+01 250.978 1.51039e+01 250.978 0.7010 
1 1 1 21 14 4  o 14 4.30469e+01 1.26019e+01 4.19708e+01 157.392 -2.55251e+00 1.06290e+00  0.00000e+00 0.00000e+00 5.10666e+01 157.392 9.09576e+00 157.392 0.7910 
1 1 1 21 14 5  o 17 6.47605e+01 1.27860e+01 7.28148e+01 44.895  5.05620e+00  5.03767e+00  0.00000e+00 0.00000e+00 9.11627e+01 44.895  1.83479e+01 44.895  0.9270 
1 1 1 21 14 6  o 18 8.81447e+01 1.14897e+01 1.38447e+02 306.698 1.17859e+01  -1.58132e+01 0.00000e+00 0.00000e+00 9.60104e+01 306.698 4.24368e+01 126.698 0.9743 
1 1 1 21 14 7  o 18 3.68163e+01 1.16079e+01 4.65620e+01 341.318 2.62777e+00  -8.88506e-01 0.00000e+00 0.00000e+00 3.29752e+01 341.318 1.35868e+01 161.318 0.7918 
1 1 1 21 14 8  o 13 8.39487e+01 1.09974e+01 1.21176e+02 92.122  -6.27070e-01 1.69253e+01  0.00000e+00 0.00000e+00 1.00868e+02 92.122  2.03082e+01 272.122 0.9700 
1 1 1 21 14 9  o 11 4.15771e+01 1.21873e+01 6.64554e+01 313.540 2.97462e+00  -3.13024e+00 0.00000e+00 0.00000e+00 3.26409e+01 313.540 3.38145e+01 133.540 0.8747 
1 1 1 21 14 10 o 3  4.02787e+01 1.18261e+01 1.15990e+01 161.648 -7.04005e-01 2.33530e-01  0.00000e+00 0.00000e+00 2.65073e+01 161.648 1.49083e+01 161.648 0.3475 
1 1 1 21 14 11 o 4  6.42329e+01 1.21657e+01 1.13550e+02 131.875 -8.16162e+00 9.10434e+00  0.00000e+00 0.00000e+00 5.38632e+01 131.875 5.96864e+01 311.875 0.9582 
1 1 1 21 14 12 o 13 5.91211e+01 1.15942e+01 1.00640e+02 288.291 3.21977e+00  -9.74052e+00 0.00000e+00 0.00000e+00 5.19702e+01 288.291 4.86702e+01 108.291 0.9499 
1 1 1 21 14 13 o 11 1.04249e+02 8.26379e+00 9.83322e+01 149.294 -1.79023e+01 1.06319e+01  0.00000e+00 0.00000e+00 1.77763e+02 149.294 7.94310e+01 149.294 0.9757 
1 1 1 21 14 14 o 4  4.06488e+01 1.19371e+01 3.26143e+01 252.046 -7.34370e-01 -2.26636e+00 0.00000e+00 0.00000e+00 5.02166e+01 252.046 1.76022e+01 252.046 0.7516 
1 1 1 21 14 15 o 6  6.86615e+01 1.25673e+01 1.01867e+02 306.219 7.13026e+00  -9.73564e+00 0.00000e+00 0.00000e+00 7.61818e+01 306.219 2.56854e+01 126.219 0.9576 
1 1 1 21 14 16 o 5  5.24282e+01 1.30322e+01 3.85704e+01 240.891 -1.71208e+00 -3.07488e+00 0.00000e+00 0.00000e+00 8.08239e+01 240.891 4.22535e+01 240.891 0.8421 
1 1 1 21 14 17 o 6  3.96246e+01 1.17905e+01 9.38409e+01 0.983   6.94606e+00  1.19236e-01  0.00000e+00 0.00000e+00 5.13021e+00 0.983   8.87106e+01 180.983 0.9249 
1 1 1 21 14 18 o 3  7.64491e+01 1.13097e+01 8.85935e+01 92.104  -5.06293e-01 1.37811e+01  0.00000e+00 0.00000e+00 1.09919e+02 92.104  2.13260e+01 92.104  0.9630 
1 1 1 21 14 19 o 6  5.92389e+01 1.23609e+01 6.66989e+01 99.617  -1.25247e+00 7.39179e+00  0.00000e+00 0.00000e+00 8.17229e+01 99.617  1.50240e+01 99.617  0.9307 
1 1 1 21 14 20 o 5  5.87062e+01 1.23158e+01 6.31795e+01 17.056  6.73443e+00  2.06609e+00  0.00000e+00 0.00000e+00 8.29230e+01 17.056  1.97435e+01 17.056  0.9260 
1 1 1 21 14 21 o 19 4.51954e+01 1.23884e+01 2.69754e+01 199.371 -2.16378e+00 -7.60740e-01 0.00000e+00 0.00000e+00 6.28162e+01 199.371 3.58408e+01 199.371 0.7406 
1 1 1 21 14 22 o 1  6.35841e+01 1.21533e+01 6.94864e+01 134.970 -6.36706e+00 6.37380e+00  0.00000e+00 0.00000e+00 9.10314e+01 134.970 2.15451e+01 134.970 0.9428 
1 1 1 21 14 23 o 4  1.08985e+02 7.84996e+00 1.21262e+02 322.032 2.87736e+01  -2.24541e+01 0.00000e+00 0.00000e+00 1.65994e+02 322.032 4.47320e+01 322.032 0.9862 
1 1 1 21 14 24 o 13 5.15725e+01 1.26599e+01 7.72402e+01 267.903 -2.93632e-01 -8.02004e+00 0.00000e+00 0.00000e+00 5.14347e+01 267.903 2.58055e+01 87.903  0.9354 
1 1 1 21 14 25 o 6  7.72230e+01 1.10287e+01 6.28981e+01 128.912 -6.74502e+00 8.35569e+00  0.00000e+00 0.00000e+00 1.32818e+02 128.912 6.99203e+01 128.912 0.9522 
1 1 1 21 14 26 o 12 3.90033e+01 1.11978e+01 1.83092e+01 251.792 -5.32010e-01 -1.61736e+00 0.00000e+00 0.00000e+00 4.82293e+01 251.792 2.99200e+01 251.792 0.6424 
1 1 1 21 15 0  o 11 4.03959e+01 2.18814e+01 7.78346e+01 0.000   2.28808e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.08160e+01 0.000   4.70186e+01 180.000 0.9796 
1 1 1 21 15 1  f 0  5.98380e+01 1.28174e+01 1.07301e+02 114.352 -4.53300e+00 1.00154e+01  0.00000e+00 0.00000e+00 4.93232e+01 114.352 5.79775e+01 294.352 0.9534 
1 1 1 21 15 2  f 0  4.44897e+01 1.25241e+01 6.05065e+01 123.378 -2.57984e+00 3.91581e+00  0.00000e+00 0.00000e+00 4.76563e+01 123.378 1.28502e+01 303.378 0.8856 
1 1 1 21 15 3  o 16 3.90320e+01 1.15180e+01 1.22398e+01 188.008 -8.74081e-01 -1.22974e-01 0.00000e+00 0.00000e+00 3.09617e+01 188.008 1.87219e+01 188.008 0.4033 
1 1 1 21 15 4  o 10 8.91048e+01 1.04863e+01 9.97456e+01 171.076 -1.71950e+01 2.69998e+00  0.00000e+00 0.00000e+00 1.37601e+02 171.076 3.78555e+01 171.076 0.9708 
1 1 1 21 15 5  o 19 5.66332e+01 1.30782e+01 3.55017e+01 292.753 1.30672e+00  -3.11577e+00 0.00000e+00 0.00000e+00 9.41174e+01 292.753 5.86157e+01 292.753 0.8345 
1 1 1 21 15 6  o 6  1.03189e+02 8.93906e+00 1.27397e+02 251.030 -9.07325e+00 -2.63963e+01 0.00000e+00 0.00000e+00 1.50364e+02 251.030 2.29675e+01 251.030 0.9819 
1 1 1 21 15 7  o 15 1.09799e+02 8.31278e+00 1.76897e+02 314.142 2.95868e+01  -3.04860e+01 0.00000e+00 0.00000e+00 1.20369e+02 314.142 5.65284e+01 134.142 0.9882 
1 1 1 21 15 8  o 5  7.57306e+01 1.13188e+01 1.14312e+02 116.996 -7.61514e+00 1.49484e+01  0.00000e+00 0.00000e+00 8.67618e+01 116.996 2.75505e+01 296.996 0.9697 
1 1 1 21 15 9  f 0  7.69094e+01 1.11820e+01 1.11214e+02 352.346 1.65245e+01  -2.22068e+00 0.00000e+00 0.00000e+00 9.28003e+01 352.346 1.84136e+01 172.346 0.9695 
1 1 1 21 15 10 o 17 1.41833e+02 6.55917e+00 1.59975e+02 124.488 -3.19396e+01 4.64932e+01  0.00000e+00 0.00000e+00 2.24311e+02 124.488 6.43351e+01 124.488 0.9911 
1 1 1 21 15 11 o 6  3.80903e+01 1.17144e+01 6.44274e+01 186.924 -4.85937e+00 -5.90158e-01 0.00000e+00 0.00000e+00 2.82574e+01 186.924 3.61700e+01 6.925   0.8909 
1 1 1 21 15 12 f 0  3.91422e+01 1.16766e+01 5.51298e+01 35.238  3.51390e+00  2.48229e+00  0.00000e+00 0.00000e+00 3.82389e+01 35.238  1.68909e+01 215.238 0.8742 
1 1 1 21 15 13 o 5  3.61328e+01 1.12881e+01 3.70781e+01 277.034 3.34126e-01  -2.70803e+00 0.00000e+00 0.00000e+00 4.05019e+01 277.034 3.42376e+00 277.034 0.7877 
1 1 1 21 15 14 o 2  5.19892e+01 1.23245e+01 8.74343e+01 333.114 7.72844e+00  -3.91846e+00 0.00000e+00 0.00000e+00 4.56682e+01 333.114 4.17661e+01 153.114 0.9404 
1 1 1 21 15 15 o 12 4.95672e+01 1.25716e+01 3.42337e+01 112.988 -1.23923e+00 2.92109e+00  0.00000e+00 0.00000e+00 7.65542e+01 112.988 4.23206e+01 112.988 0.8220 
1 1 1 21 15 16 o 8  7.80138e+01 1.08020e+01 3.65850e+01 86.203  4.24554e-01  6.39774e+00  0.00000e+00 0.00000e+00 1.57953e+02 86.203  1.21368e+02 86.203  0.9183 
1 1 1 21 15 17 o 15 3.63889e+01 1.11201e+01 5.39782e+01 0.717   4.30278e+00  5.38511e-02  0.00000e+00 0.00000e+00 3.22846e+01 0.717   2.16936e+01 180.717 0.8742 
1 1 1 21 15 18 o 11 3.74931e+01 1.13946e+01 4.91584e+01 50.160  2.61669e+00  3.13623e+00  0.00000e+00 0.00000e+00 3.88215e+01 50.160  1.03370e+01 230.160 0.8667 
1 1 1 21 15 19 o 12 7.28304e+01 1.12029e+01 8.41142e+01 32.591  1.15383e+01  7.37636e+00  0.00000e+00 0.00000e+00 1.05429e+02 32.591  2.13145e+01 32.591  0.9628 
1 1 1 21 15 20 o 4  3.81324e+01 1.15240e+01 2.25687e+01 94.157  -1.34463e-01 1.84995e+00  0.00000e+00 0.00000e+00 4.66281e+01 94.157  2.40594e+01 94.157  0.6724 
1 1 1 21 15 21 o 16 3.54847e+01 1.10821e+01 2.76970e+01 120.006 -1.08558e+00 1.87986e+00  0.00000e+00 0.00000e+00 4.15029e+01 120.006 1.38059e+01 120.006 0.7239 
1 1 1 21 15 22 o 16 5.02411e+01 1.26326e+01 6.30135e+01 269.874 -1.49392e-02 -6.81833e+00 0.00000e+00 0.00000e+00 6.17362e+01 269.874 1.27725e+00 89.874  0.9234 
1 1 1 21 16 0  o 13 4.17393e+01 2.28745e+01 2.52425e+00 180.000 -7.80467e-02 0.00000e+00  0.00000e+00 0.00000e+00 6.44115e+00 180.000 3.91690e+00 180.000 0.0779 
1 1 1 21 16 1  o 18 5.95596e+01 1.25718e+01 9.17220e+01 80.155  1.75503e+00  1.01130e+01  0.00000e+00 0.00000e+00 6.43014e+01 80.155  2.74206e+01 260.155 0.9500 
1 1 1 21 16 2  f 0  5.34012e+01 1.25154e+01 5.30546e+01 29.774  4.63589e+00  2.65220e+00  0.00000e+00 0.00000e+00 7.95694e+01 29.774  2.65147e+01 29.774  0.9007 
1 1 1 21 16 3  o 8  4.17880e+01 1.18744e+01 4.78750e+01 58.957  2.02601e+00  3.36606e+00  0.00000e+00 0.00000e+00 5.12762e+01 58.957  3.40117e+00 58.957  0.8607 
1 1 1 21 16 4  o 3  5.84935e+01 9.97352e+00 4.32040e+01 163.828 -5.36468e+00 1.55569e+00  0.00000e+00 0.00000e+00 1.02744e+02 163.828 5.95401e+01 163.828 0.9054 
1 1 1 21 16 5  o 10 5.91975e+01 1.28498e+01 3.88548e+01 226.527 -2.91206e+00 -3.07152e+00 0.00000e+00 0.00000e+00 1.03330e+02 226.527 6.44755e+01 226.527 0.8719 
1 1 1 21 16 6  o 16 8.26740e+01 1.09942e+01 1.20780e+02 190.681 -2.03074e+01 -3.83005e+00 0.00000e+00 0.00000e+00 1.01281e+02 190.681 1.94989e+01 10.681  0.9755 
1 1 1 21 16 7  o 2  4.56782e+01 1.26307e+01 9.30877e+01 117.093 -3.85544e+00 7.53643e+00  0.00000e+00 0.00000e+00 2.49378e+01 117.093 6.81500e+01 297.093 0.9389 
1 1 1 21 16 8  o 18 4.74599e+01 1.27171e+01 6.59872e+01 223.603 -4.48093e+00 -4.26761e+00 0.00000e+00 0.00000e+00 5.34630e+01 223.603 1.25242e+01 43.603  0.9152 
1 1 1 21 16 9  o 6  3.38431e+01 1.06602e+01 1.96029e+00 84.967  1.31997e-02  1.49878e-01  0.00000e+00 0.00000e+00 5.01661e+00 84.967  3.05632e+00 84.967  0.0750 
1 1 1 21 16 10 o 18 5.30595e+01 1.27742e+01 6.95528e+01 12.195  7.07262e+00  1.52853e+00  0.00000e+00 0.00000e+00 6.56620e+01 12.195  3.89082e+00 192.195 0.9281 
1 1 1 21 16 11 o 15 3.34141e+01 1.09124e+01 1.62543e+01 264.141 -1.27375e-01 -1.24124e+00 0.00000e+00 0.00000e+00 3.20840e+01 264.141 1.58296e+01 264.141 0.5273 
1 1 1 21 16 12 o 7  5.58368e+01 1.30310e+01 7.69248e+01 105.290 -2.23858e+00 8.18822e+00  0.00000e+00 0.00000e+00 6.67859e+01 105.290 1.01389e+01 285.290 0.9391 
1 1 1 21 16 13 f 0  4.15067e+01 1.18195e+01 3.68471e+01 232.391 -2.00281e+00 -2.59987e+00 0.00000e+00 0.00000e+00 5.73362e+01 232.391 2.04891e+01 232.391 0.8288 
1 1 1 21 16 14 o 14 3.82775e+01 1.16936e+01 3.82504e+01 48.994  2.05262e+00  2.36076e+00  0.00000e+00 0.00000e+00 4.74788e+01 48.994  9.22845e+00 48.994  0.8190 
1 1 1 21 16 15 o 17 3.22412e+01 1.04741e+01 2.31915e+01 341.320 1.63721e+00  -5.53529e-01 0.00000e+00 0.00000e+00 3.38413e+01 341.320 1.06498e+01 341.320 0.6477 
1 1 1 21 16 16 o 19 6.83058e+01 1.21837e+01 7.10605e+01 1.935   1.08363e+01  3.66103e-01  0.00000e+00 0.00000e+00 1.06428e+02 1.935   3.53678e+01 1.935   0.9527 
1 1 1 21 16 17 o 1  3.18947e+01 1.04673e+01 4.33092e+01 94.489  -2.72895e-01 3.47588e+00  0.00000e+00 0.00000e+00 2.96937e+01 94.489  1.36155e+01 274.489 0.8404 
1 1 1 21 17 0  f 0  2.15072e+01 1.50075e+01 2.81860e+00 180.000 -6.97684e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.33216e+00 180.000 1.48644e+00 0.000   0.0697 
1 1 1 21 17 1  o 4  3.09173e+01 1.01896e+01 4.06092e+01 39.944  2.27926e+00  1.90871e+00  0.00000e+00 0.00000e+00 2.85998e+01 39.944  1.20094e+01 219.944 0.8080 
1 1 1 21 17 2  o 4  3.42906e+01 1.07828e+01 1.77715e+01 79.179  2.60198e-01  1.36124e+00  0.00000e+00 0.00000e+00 3.60539e+01 79.179  1.82824e+01 79.179  0.5666 
1 1 1 21 17 3  o 12 5.84155e+01 1.30605e+01 6.17048e+01 256.746 -1.60402e+00 -6.81010e+00 0.00000e+00 0.00000e+00 8.80290e+01 256.746 2.63242e+01 256.746 0.9255 
1 1 1 21 17 4  o 6  3.92493e+01 1.17023e+01 4.31103e+01 293.091 1.41497e+00  -3.31888e+00 0.00000e+00 0.00000e+00 4.88862e+01 293.091 5.77591e+00 293.091 0.8465 
1 1 1 21 17 5  o 12 4.20230e+01 1.20315e+01 3.96768e+01 153.302 -3.10159e+00 1.55982e+00  0.00000e+00 0.00000e+00 5.79762e+01 153.302 1.82994e+01 153.302 0.8396 
1 1 1 21 17 6  o 5  3.44920e+01 1.07990e+01 2.46792e+01 227.322 -1.43191e+00 -1.55292e+00 0.00000e+00 0.00000e+00 4.35815e+01 227.322 1.89023e+01 227.322 0.7154 
1 1 1 21 17 7  o 3  5.23047e+01 1.25625e+01 6.11679e+01 94.191  -5.07752e-01 6.92861e+00  0.00000e+00 0.00000e+00 7.25912e+01 94.191  1.14233e+01 94.191  0.9249 
1 1 1 21 17 8  o 13 5.83098e+01 1.27492e+01 9.29933e+01 230.110 -7.43530e+00 -8.89571e+00 0.00000e+00 0.00000e+00 6.10064e+01 230.110 3.19870e+01 50.110  0.9559 
1 1 1 21 17 9  o 16 4.45522e+01 1.38247e+01 4.66149e+01 155.638 -3.72508e+00 1.68680e+00  0.00000e+00 0.00000e+00 6.00182e+01 155.638 1.34032e+01 155.638 0.8669 
1 1 1 22 0  0  f 0  1.09483e+02 2.72570e+01 1.48950e+02 180.000 -3.71694e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.43622e+02 180.000 5.32789e+00 0.000   0.9988 
1 1 1 22 0  1  o 9  1.77105e+02 8.56790e+00 1.72101e+02 225.000 -1.20042e+01 -1.20042e+01 0.00000e+00 0.00000e+00 3.01717e+02 225.000 1.29616e+02 225.000 1.0000 
1 1 1 22 0  2  o 4  5.28408e+01 2.27432e+01 1.53085e+02 90.000  2.07203e-16  3.38388e+00  0.00000e+00 0.00000e+00 1.20600e+01 270.000 1.65145e+02 270.000 0.9977 
1 1 1 22 0  3  o 3  1.62622e+02 9.61201e+00 2.41357e+02 135.000 -1.52110e+01 1.52110e+01  0.00000e+00 0.00000e+00 1.93565e+02 135.000 4.77920e+01 315.000 1.0000 
1 1 1 22 0  4  o 10 1.14597e+02 1.13989e+01 2.57784e+02 180.000 -1.57293e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.86056e+01 180.000 2.09178e+02 0.000   1.0000 
1 1 1 22 0  5  f 0  9.64925e+01 1.29221e+01 1.17579e+02 45.000  4.15269e+00  4.15269e+00  0.00000e+00 0.00000e+00 1.40301e+02 45.000  2.27226e+01 45.000  1.0000 
1 1 1 22 0  6  o 4  3.20585e+01 1.96971e+01 2.30726e+01 90.000  2.02900e-17  3.31360e-01  0.00000e+00 0.00000e+00 4.30964e+00 90.000  1.87629e+01 270.000 0.3197 
1 1 1 22 0  7  o 10 1.27984e+02 1.14302e+01 1.77984e+02 315.000 8.89175e+00  -8.89175e+00 0.00000e+00 0.00000e+00 1.63710e+02 315.000 1.42740e+01 135.000 1.0000 
1 1 1 22 0  8  o 3  7.30691e+01 1.87436e+01 5.22394e+01 0.000   1.80664e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.32478e+02 0.000   8.02389e+01 0.000   0.9475 
1 1 1 22 0  9  o 1  5.64897e+01 2.20475e+01 3.07562e+01 45.000  5.34116e-01  5.34116e-01  0.00000e+00 0.00000e+00 6.53824e+01 45.000  3.46262e+01 45.000  0.6383 
1 1 1 22 0  10 o 18 1.12253e+02 1.15567e+01 1.00976e+02 270.000 -3.77411e-16 -6.16359e+00 0.00000e+00 0.00000e+00 1.98057e+02 270.000 9.70809e+01 270.000 1.0000 
1 1 1 22 0  11 o 10 3.19209e+01 1.95183e+01 7.88167e+00 315.000 7.93688e-02  -7.93688e-02 0.00000e+00 0.00000e+00 1.61462e+00 315.000 6.26705e+00 135.000 0.1118 
1 1 1 22 0  12 o 7  1.37393e+02 9.67889e+00 1.17150e+02 180.000 -8.60540e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.48164e+02 180.000 1.31014e+02 180.000 1.0000 
1 1 1 22 0  13 o 15 2.20876e+01 1.54169e+01 4.60540e+01 225.000 -3.46824e-01 -3.46824e-01 0.00000e+00 0.00000e+00 1.93847e+01 45.000  6.54388e+01 45.000  0.4546 
1 1 1 22 0  14 o 11 4.87473e+01 2.25093e+01 4.15285e+01 90.000  5.78711e-17  9.45107e-01  0.00000e+00 0.00000e+00 5.38554e+01 90.000  1.23269e+01 90.000  0.7376 
1 1 1 22 0  15 o 13 2.57528e+01 1.73386e+01 1.53925e+01 135.000 -1.49114e-01 1.49114e-01  0.00000e+00 0.00000e+00 1.21275e+00 315.000 1.66053e+01 315.000 0.2078 
1 1 1 22 0  16 o 4  1.11371e+02 1.29939e+01 1.46024e+02 0.000   1.01587e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.48673e+02 0.000   2.64922e+00 0.000   1.0000 
1 1 1 22 0  17 o 10 3.58344e+01 2.13252e+01 3.11409e+01 45.000  3.96399e-01  3.96399e-01  0.00000e+00 0.00000e+00 1.69991e+01 45.000  1.41419e+01 225.000 0.5084 
1 1 1 22 0  19 o 8  6.12076e+01 3.58863e+01 5.46754e+01 315.000 6.78299e-01  -6.78299e-01 0.00000e+00 0.00000e+00 6.52700e+01 315.000 1.05946e+01 315.000 0.7439 
1 1 1 22 0  20 o 1  4.13978e+01 2.22440e+01 4.76866e+01 180.000 -1.05626e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.76874e+01 180.000 9.99919e+00 0.000   0.7842 
1 1 1 22 0  21 o 12 1.72702e+01 1.26965e+01 4.27327e+01 225.000 -3.61586e-01 -3.61586e-01 0.00000e+00 0.00000e+00 2.13797e+01 45.000  6.41125e+01 45.000  0.4710 
1 1 1 22 0  22 o 2  3.98451e+01 2.23068e+01 4.36249e+01 90.000  5.73727e-17  9.36967e-01  0.00000e+00 0.00000e+00 3.29876e+01 90.000  1.06373e+01 270.000 0.7338 
1 1 1 22 0  23 f 0  6.98060e+01 2.11673e+01 1.23933e+02 315.000 3.29974e+00  -3.29974e+00 0.00000e+00 0.00000e+00 5.85845e+01 315.000 6.53488e+01 135.000 0.9998 
1 1 1 22 0  24 o 14 3.39601e+01 1.98647e+01 5.53619e+01 0.000   1.04539e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.37699e+01 0.000   4.15920e+01 180.000 0.7800 
1 1 1 22 0  25 o 6  7.48647e+01 1.78957e+01 1.30412e+02 225.000 -4.25394e+00 -4.25394e+00 0.00000e+00 0.00000e+00 6.45554e+01 225.000 6.58567e+01 45.000  1.0000 
1 1 1 22 0  26 o 4  4.95380e+01 2.15082e+01 4.50208e+01 270.000 -7.75273e-17 -1.26612e+00 0.00000e+00 0.00000e+00 6.47510e+01 270.000 1.97301e+01 270.000 0.8527 
1 1 1 22 0  27 o 6  7.44557e+01 1.81513e+01 8.14173e+01 135.000 -2.96279e+00 2.96279e+00  0.00000e+00 0.00000e+00 1.11531e+02 135.000 3.01136e+01 135.000 0.9995 
1 1 1 22 0  28 o 13 3.44716e+01 2.07004e+01 2.01821e+00 180.000 -4.42794e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.92720e+00 180.000 9.10103e-02 0.000   0.0443 
1 1 1 22 0  29 o 13 3.95589e+01 2.19698e+01 9.75234e+01 45.000  1.64904e+00  1.64904e+00  0.00000e+00 0.00000e+00 2.63774e+00 45.000  9.48857e+01 225.000 0.9813 
1 1 1 22 0  30 o 13 3.42253e+01 2.08535e+01 1.43982e+02 90.000  1.85974e-16  3.03719e+00  0.00000e+00 0.00000e+00 5.63047e+01 270.000 2.00287e+02 270.000 0.9954 
1 1 1 22 0  31 o 14 4.20214e+01 2.31289e+01 3.83546e+00 135.000 -7.11806e-02 7.11806e-02  0.00000e+00 0.00000e+00 6.98584e+00 135.000 3.15037e+00 135.000 0.1003 
1 1 1 22 0  32 o 10 1.66971e+02 1.03242e+01 1.91490e+02 0.000   2.99346e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.35932e+02 0.000   4.44419e+01 0.000   1.0000 
1 1 1 22 0  33 o 3  4.58228e+01 2.29889e+01 2.02595e+01 45.000  4.08124e-01  4.08124e-01  0.00000e+00 0.00000e+00 4.06367e+01 45.000  2.03772e+01 45.000  0.5206 
1 1 1 22 0  34 o 18 2.87945e+01 1.84467e+01 3.73809e+01 90.000  5.14097e-17  8.39584e-01  0.00000e+00 0.00000e+00 1.28668e+01 90.000  2.45141e+01 270.000 0.6856 
1 1 1 22 0  35 o 12 2.78500e+01 1.79935e+01 2.51840e+01 135.000 -4.16711e-01 4.16711e-01  0.00000e+00 0.00000e+00 1.22325e+01 135.000 1.29515e+01 315.000 0.5294 
1 1 1 22 0  36 o 13 3.73636e+01 2.08157e+01 2.47680e+01 0.000   7.17476e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.34002e+01 0.000   8.63213e+00 0.000   0.6153 
1 1 1 22 0  37 o 4  4.01622e+01 2.18816e+01 5.42310e+01 45.000  1.19409e+00  1.19409e+00  0.00000e+00 0.00000e+00 4.03727e+01 45.000  1.38583e+01 225.000 0.9340 
1 1 1 22 0  38 o 5  4.47252e+01 2.16873e+01 5.40825e+01 270.000 -1.15205e-16 -1.88145e+00 0.00000e+00 0.00000e+00 5.32497e+01 270.000 8.32771e-01 90.000  0.9546 
1 1 1 22 0  39 o 6  3.65255e+01 2.05053e+01 7.27244e+01 315.000 1.67429e+00  -1.67429e+00 0.00000e+00 0.00000e+00 1.71999e+01 315.000 5.55245e+01 135.000 0.9826 
1 1 1 22 0  40 o 4  2.88657e+01 1.83237e+01 5.51556e+01 180.000 -1.53857e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.05714e+01 180.000 4.45842e+01 0.000   0.9119 
1 1 1 22 0  41 o 6  2.49078e+01 1.65822e+01 1.93561e+00 225.000 -3.86666e-02 -3.86666e-02 0.00000e+00 0.00000e+00 1.45019e+00 225.000 4.85422e-01 45.000  0.0546 
1 1 1 22 1  0  o 11 1.54771e+02 1.25016e+01 1.60213e+02 180.000 -1.29941e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.53931e+02 180.000 9.37183e+01 180.000 1.0000 
1 1 1 22 1  1  o 16 1.18716e+02 8.23984e+00 1.83125e+02 89.442  2.24980e-01  2.31101e+01  0.00000e+00 0.00000e+00 1.27575e+02 89.442  5.55499e+01 269.442 0.9781 
1 1 1 22 1  2  o 8  1.26028e+02 7.66363e+00 1.49274e+02 120.987 -1.04246e+01 1.73582e+01  0.00000e+00 0.00000e+00 1.79464e+02 120.987 3.01905e+01 120.987 0.9750 
1 1 1 22 1  3  o 12 5.14725e+01 1.33786e+01 6.16212e+01 261.043 -4.52572e-01 -2.87147e+00 0.00000e+00 0.00000e+00 4.89159e+01 261.043 1.27053e+01 81.043  0.8029 
1 1 1 22 1  4  o 1  5.10335e+01 1.28750e+01 9.28255e+01 122.905 -2.39384e+00 3.69955e+00  0.00000e+00 0.00000e+00 2.69237e+01 122.905 6.59018e+01 302.905 0.8775 
1 1 1 22 1  5  o 2  4.78938e+01 1.28402e+01 4.32833e+01 157.289 -1.77731e+00 7.43869e-01  0.00000e+00 0.00000e+00 4.44555e+01 157.289 1.17215e+00 157.289 0.6854 
1 1 1 22 1  6  o 15 4.47051e+01 1.25047e+01 4.20939e+01 185.264 -1.82715e+00 -1.68353e-01 0.00000e+00 0.00000e+00 3.77755e+01 185.264 4.31847e+00 5.264   0.6687 
1 1 1 22 1  7  o 9  8.41972e+01 1.06459e+01 1.14242e+02 135.250 -7.03479e+00 6.97364e+00  0.00000e+00 0.00000e+00 9.89118e+01 135.250 1.53297e+01 315.250 0.9481 
1 1 1 22 1  8  o 18 6.63396e+01 1.25282e+01 5.44644e+01 73.321  1.00421e+00  3.35161e+00  0.00000e+00 0.00000e+00 9.44212e+01 73.321  3.99568e+01 73.321  0.8410 
1 1 1 22 1  9  o 10 5.88917e+01 1.30365e+01 9.19984e+01 265.018 -4.46493e-01 -5.12164e+00 0.00000e+00 0.00000e+00 4.87925e+01 265.018 4.32059e+01 85.018  0.8966 
1 1 1 22 1  10 o 8  7.91085e+01 1.11065e+01 1.08389e+02 68.200  3.09867e+00  7.74710e+00  0.00000e+00 0.00000e+00 8.93164e+01 68.200  1.90721e+01 248.200 0.9380 
1 1 1 22 1  11 o 15 6.24620e+01 1.26073e+01 8.95179e+01 315.428 3.68798e+00  -3.63329e+00 0.00000e+00 0.00000e+00 5.96805e+01 315.428 2.98373e+01 135.428 0.8973 
1 1 1 22 1  12 o 11 1.40836e+02 6.99440e+00 1.72612e+02 270.203 9.17332e-02  -2.58825e+01 0.00000e+00 0.00000e+00 1.94602e+02 270.203 2.19892e+01 270.203 0.9805 
1 1 1 22 1  13 o 8  1.98980e+02 5.51633e+00 2.56413e+02 85.957  4.66585e+00  6.60111e+01  0.00000e+00 0.00000e+00 2.68149e+02 85.957  1.17355e+01 85.957  0.9924 
1 1 1 22 1  14 f 0  4.59292e+01 1.23554e+01 5.78657e+01 196.095 -2.72096e+00 -7.85104e-01 0.00000e+00 0.00000e+00 3.92302e+01 196.095 1.86355e+01 16.095  0.7968 
1 1 1 22 1  15 o 14 6.95198e+01 1.24965e+01 1.06910e+02 85.254  6.48189e-01  7.80776e+00  0.00000e+00 0.00000e+00 6.51232e+01 85.254  4.17871e+01 265.254 0.9338 
1 1 1 22 1  16 o 6  7.34404e+01 1.27608e+01 8.87050e+01 38.732  5.61434e+00  4.50314e+00  0.00000e+00 0.00000e+00 9.15942e+01 38.732  2.88920e+00 38.732  0.9277 
1 1 1 22 1  17 o 12 5.35864e+01 1.57557e+01 1.06550e+02 210.995 -4.78041e+00 -2.87178e+00 0.00000e+00 0.00000e+00 2.16426e+01 210.995 8.49076e+01 30.995  0.9052 
1 1 1 22 1  19 o 3  1.07376e+02 9.79352e+00 1.49742e+02 200.046 -1.47528e+01 -5.38294e+00 0.00000e+00 0.00000e+00 1.23979e+02 200.046 2.57631e+01 20.046  0.9676 
1 1 1 22 1  20 o 9  1.44230e+02 7.31691e+00 2.23289e+02 200.100 -4.44495e+01 -1.62663e+01 0.00000e+00 0.00000e+00 1.52016e+02 200.100 7.12736e+01 20.100  0.9894 
1 1 1 22 1  21 o 19 5.26945e+01 1.33479e+01 8.89090e+01 212.351 -4.77070e+00 -3.02187e+00 0.00000e+00 0.00000e+00 3.65017e+01 212.351 5.24072e+01 32.351  0.9065 
1 1 1 22 1  22 o 4  5.36421e+01 1.33650e+01 2.94479e+01 258.381 -3.80353e-01 -1.84980e+00 0.00000e+00 0.00000e+00 6.59426e+01 258.381 3.64947e+01 258.381 0.6786 
1 1 1 22 1  23 o 5  5.51157e+01 1.27776e+01 1.16686e+02 348.144 7.41917e+00  -1.55754e+00 0.00000e+00 0.00000e+00 1.75932e+01 348.144 9.90923e+01 168.144 0.9315 
1 1 1 22 1  24 o 8  7.62055e+01 1.14067e+01 8.35552e+01 62.159  3.88212e+00  7.35045e+00  0.00000e+00 0.00000e+00 1.02976e+02 62.159  1.94207e+01 62.159  0.9378 
1 1 1 22 1  25 o 19 8.07958e+01 1.02773e+01 1.03918e+02 122.357 -6.06217e+00 9.56833e+00  0.00000e+00 0.00000e+00 9.70122e+01 122.357 6.90603e+00 302.357 0.9548 
1 1 1 22 1  26 o 4  7.10404e+01 1.13896e+01 9.60323e+01 312.713 6.17424e+00  -6.68781e+00 0.00000e+00 0.00000e+00 7.81392e+01 312.713 1.78930e+01 132.713 0.9434 
1 1 1 22 1  27 o 4  5.15644e+01 1.28575e+01 4.50079e+01 272.629 1.46900e-01  -3.19871e+00 0.00000e+00 0.00000e+00 6.51509e+01 272.629 2.01429e+01 272.629 0.8239 
1 1 1 22 1  28 o 10 7.14167e+01 1.26589e+01 6.09239e+01 249.252 -2.15152e+00 -5.67954e+00 0.00000e+00 0.00000e+00 1.07838e+02 249.252 4.69142e+01 249.252 0.9135 
1 1 1 22 1  29 o 8  4.38949e+01 1.26855e+01 6.19768e+01 260.945 -5.84889e-01 -3.67021e+00 0.00000e+00 0.00000e+00 3.44921e+01 260.945 2.74847e+01 80.945  0.8517 
1 1 1 22 1  30 o 16 3.42635e+01 1.11205e+01 4.15163e+01 309.675 1.31380e+00  -1.58390e+00 0.00000e+00 0.00000e+00 2.08405e+01 309.675 2.06758e+01 129.675 0.7071 
1 1 1 22 1  31 o 9  5.11326e+01 1.19119e+01 6.02013e+01 237.304 -2.59847e+00 -4.04812e+00 0.00000e+00 0.00000e+00 5.64676e+01 237.304 3.73373e+00 57.304  0.8888 
1 1 1 22 1  32 o 3  6.85705e+01 1.23825e+01 8.06233e+01 126.417 -4.95272e+00 6.71362e+00  0.00000e+00 0.00000e+00 8.40481e+01 126.417 3.42485e+00 126.417 0.9380 
1 1 1 22 1  33 o 17 6.96063e+01 1.12920e+01 9.08145e+01 70.698  3.31523e+00  9.46593e+00  0.00000e+00 0.00000e+00 7.77877e+01 70.698  1.30268e+01 250.698 0.9488 
1 1 1 22 1  34 o 1  4.02552e+01 1.20391e+01 3.04331e+01 137.019 -1.47062e+00 1.37049e+00  0.00000e+00 0.00000e+00 4.12438e+01 137.019 1.08107e+01 137.019 0.6994 
1 1 1 22 1  35 o 2  8.38862e+01 1.07519e+01 8.41904e+01 318.064 9.78696e+00  -8.79255e+00 0.00000e+00 0.00000e+00 1.20464e+02 318.064 3.62735e+01 318.064 0.9612 
1 1 1 22 1  36 o 12 2.97170e+01 1.01226e+01 2.31592e+01 179.788 -1.37398e+00 5.08649e-03  0.00000e+00 0.00000e+00 1.92057e+01 179.788 3.95349e+00 359.788 0.5634 
1 1 1 22 1  37 o 6  9.90384e+01 9.46820e+00 8.45242e+01 268.974 -3.28278e-01 -1.83379e+01 0.00000e+00 0.00000e+00 1.58381e+02 268.974 7.38572e+01 268.974 0.9723 
1 1 1 22 1  38 o 14 3.97079e+01 1.18063e+01 5.52177e+01 193.647 -4.07541e+00 -9.89475e-01 0.00000e+00 0.00000e+00 3.16973e+01 193.647 2.35205e+01 13.647  0.8706 
1 1 1 22 1  39 f 0  4.08820e+01 1.16166e+01 1.90229e+01 293.026 6.51493e-01  -1.53286e+00 0.00000e+00 0.00000e+00 4.59773e+01 293.026 2.69545e+01 293.026 0.6345 
1 1 1 22 1  40 o 17 4.22029e+01 1.20084e+01 7.56082e+01 164.632 -6.30270e+00 1.73231e+00  0.00000e+00 0.00000e+00 2.13531e+01 164.632 5.42551e+01 344.632 0.9200 
1 1 1 22 1  41 o 8  3.59493e+01 1.11901e+01 5.29659e+01 85.543  3.47429e-01  4.45764e+00  0.00000e+00 0.00000e+00 2.57177e+01 85.543  2.72482e+01 265.543 0.8795 
1 1 1 22 2  0  o 2  4.69188e+01 2.27118e+01 6.86294e+01 180.000 -1.34340e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.09557e+01 180.000 2.76736e+01 0.000   0.8725 
1 1 1 22 2  1  o 7  7.50634e+01 1.15599e+01 1.06443e+02 161.220 -7.32765e+00 2.49166e+00  0.00000e+00 0.00000e+00 8.10223e+01 161.220 2.54204e+01 341.220 0.9330 
1 1 1 22 2  2  o 9  6.79615e+01 1.21094e+01 9.44777e+01 268.631 -1.46019e-01 -6.11078e+00 0.00000e+00 0.00000e+00 7.17927e+01 268.631 2.26850e+01 88.631  0.9141 
1 1 1 22 2  3  o 17 1.24027e+02 8.04782e+00 2.12943e+02 40.932  2.11802e+01  1.83675e+01  0.00000e+00 0.00000e+00 1.12972e+02 40.932  9.99711e+01 220.932 0.9820 
1 1 1 22 2  4  o 19 1.97121e+02 5.55061e+00 2.33652e+02 85.839  3.90050e+00  5.36135e+01  0.00000e+00 0.00000e+00 2.88746e+02 85.839  5.50948e+01 85.839  0.9907 
1 1 1 22 2  5  o 2  6.93471e+01 1.22165e+01 6.63926e+01 256.937 -1.02303e+00 -4.40894e+00 0.00000e+00 0.00000e+00 9.69982e+01 256.937 3.06055e+01 256.937 0.8811 
1 1 1 22 2  6  o 17 1.13121e+02 7.94595e+00 1.40038e+02 42.708  1.28673e+01  1.18767e+01  0.00000e+00 0.00000e+00 1.53550e+02 42.708  1.35123e+01 42.708  0.9710 
1 1 1 22 2  7  o 3  1.74140e+02 5.91382e+00 2.30054e+02 221.044 -3.47276e+01 -3.02355e+01 0.00000e+00 0.00000e+00 2.30054e+02 221.044 3.37548e-05 221.044 0.9891 
1 1 1 22 2  8  o 7  4.63394e+01 1.19687e+01 7.75886e+01 17.981  3.35909e+00  1.09022e+00  0.00000e+00 0.00000e+00 2.66646e+01 17.981  5.09240e+01 197.981 0.8427 
1 1 1 22 2  9  o 18 6.78337e+01 1.23468e+01 1.08152e+02 230.973 -4.33468e+00 -5.34771e+00 0.00000e+00 0.00000e+00 5.90904e+01 230.973 4.90614e+01 50.973  0.9242 
1 1 1 22 2  10 o 1  4.99646e+01 1.20092e+01 4.38845e+01 350.137 2.03935e+00  -3.54582e-01 0.00000e+00 0.00000e+00 5.05302e+01 350.137 6.64568e+00 350.137 0.7089 
1 1 1 22 2  11 o 6  4.92606e+01 1.27970e+01 3.90601e+01 299.124 8.58879e-01  -1.54160e+00 0.00000e+00 0.00000e+00 4.68778e+01 299.124 7.81773e+00 299.124 0.6551 
1 1 1 22 2  12 o 15 1.17314e+02 7.78776e+00 1.14004e+02 201.085 -1.30170e+01 -5.01906e+00 0.00000e+00 0.00000e+00 1.86698e+02 201.085 7.26939e+01 201.085 0.9635 
1 1 1 22 2  13 o 4  3.55267e+01 1.07961e+01 3.01096e+01 207.161 -1.07123e+00 -5.49627e-01 0.00000e+00 0.00000e+00 1.84210e+01 207.161 1.16885e+01 27.161  0.5140 
1 1 1 22 2  14 o 17 1.70518e+02 6.08043e+00 1.67029e+02 46.070  2.50753e+01  2.60296e+01  0.00000e+00 0.00000e+00 2.79297e+02 46.070  1.12269e+02 46.070  0.9861 
1 1 1 22 2  15 o 11 7.96674e+01 1.16014e+01 9.49817e+01 312.426 5.90081e+00  -6.45627e+00 0.00000e+00 0.00000e+00 1.03759e+02 312.426 8.77748e+00 312.426 0.9410 
1 1 1 22 2  16 o 3  1.30521e+02 7.64446e+00 1.74389e+02 36.333  2.38185e+01  1.75178e+01  0.00000e+00 0.00000e+00 1.65281e+02 36.333  9.10800e+00 216.333 0.9829 
1 1 1 22 2  19 o 12 7.24356e+01 1.28783e+01 1.20772e+02 139.361 -8.04956e+00 6.90891e+00  0.00000e+00 0.00000e+00 6.09061e+01 139.361 5.98664e+01 319.361 0.9516 
1 1 1 22 2  20 o 6  4.64961e+01 1.33898e+01 8.11268e+01 319.949 3.40389e+00  -2.86135e+00 0.00000e+00 0.00000e+00 2.63792e+01 319.949 5.47476e+01 139.949 0.8787 
1 1 1 22 2  21 o 6  7.21534e+01 1.32766e+01 7.78547e+01 155.963 -6.18471e+00 2.75839e+00  0.00000e+00 0.00000e+00 9.70465e+01 155.963 1.91917e+01 155.963 0.9229 
1 1 1 22 2  22 o 6  1.19631e+02 8.39281e+00 1.46147e+02 183.650 -2.41591e+01 -1.54122e+00 0.00000e+00 0.00000e+00 1.60939e+02 183.650 1.47920e+01 183.650 0.9791 
1 1 1 22 2  23 o 8  4.45743e+01 1.28185e+01 3.85837e+01 330.427 1.75512e+00  -9.95967e-01 0.00000e+00 0.00000e+00 4.31422e+01 330.427 4.55851e+00 330.427 0.7007 
1 1 1 22 2  24 o 13 3.64515e+01 1.12502e+01 5.69762e+01 246.613 -1.07950e+00 -2.49609e+00 0.00000e+00 0.00000e+00 1.79258e+01 246.613 3.90505e+01 66.613  0.7869 
1 1 1 22 2  25 o 16 4.05533e+01 1.17238e+01 5.42230e+01 316.718 2.12124e+00  -1.99767e+00 0.00000e+00 0.00000e+00 3.06753e+01 316.718 2.35477e+01 136.718 0.8034 
1 1 1 22 2  26 o 6  7.91093e+01 1.04775e+01 1.39273e+02 349.918 1.49447e+01  -2.65709e+00 0.00000e+00 0.00000e+00 5.95202e+01 349.918 7.97526e+01 169.918 0.9665 
1 1 1 22 2  27 o 7  3.89964e+01 1.18424e+01 5.99697e+01 296.075 1.48074e+00  -3.02593e+00 0.00000e+00 0.00000e+00 2.43932e+01 296.075 3.55766e+01 116.075 0.8339 
1 1 1 22 2  28 o 1  7.42889e+01 1.19547e+01 9.40275e+01 192.501 -9.79924e+00 -2.17269e+00 0.00000e+00 0.00000e+00 8.83853e+01 192.501 5.64211e+00 12.501  0.9488 
1 1 1 22 2  29 o 9  4.68882e+01 1.27688e+01 1.04886e+02 208.190 -5.88358e+00 -3.15338e+00 0.00000e+00 0.00000e+00 6.68499e+00 208.190 9.82012e+01 28.190  0.9217 
1 1 1 22 2  30 o 9  9.80237e+01 1.05625e+01 1.27897e+02 160.422 -1.98083e+01 7.04503e+00  0.00000e+00 0.00000e+00 1.18441e+02 160.422 9.45656e+00 340.422 0.9759 
1 1 1 22 2  31 o 1  3.63260e+01 1.17553e+01 4.89175e+01 37.199  2.21710e+00  1.68281e+00  0.00000e+00 0.00000e+00 2.50288e+01 37.199  2.38887e+01 217.199 0.7926 
1 1 1 22 2  32 o 18 1.01583e+02 1.00037e+01 9.48832e+01 60.140  8.13359e+00  1.41674e+01  0.00000e+00 0.00000e+00 1.57210e+02 60.140  6.23266e+01 60.140  0.9689 
1 1 1 22 2  33 o 9  4.13727e+01 1.22272e+01 6.62172e+01 116.427 -1.99652e+00 4.01717e+00  0.00000e+00 0.00000e+00 2.67650e+01 116.427 3.94522e+01 296.427 0.8799 
1 1 1 22 2  34 f 0  4.05058e+01 1.19205e+01 7.09751e+01 77.304  1.04039e+00  4.61820e+00  0.00000e+00 0.00000e+00 2.05087e+01 77.304  5.04664e+01 257.304 0.8868 
1 1 1 22 2  35 o 10 3.07355e+01 1.00851e+01 6.49926e+01 184.426 -4.01865e+00 -3.11047e-01 0.00000e+00 0.00000e+00 2.49098e+00 184.426 6.25017e+01 4.426   0.8647 
1 1 1 22 2  36 o 9  7.85095e+01 1.19088e+01 9.02049e+01 190.211 -1.34468e+01 -2.42216e+00 0.00000e+00 0.00000e+00 1.01120e+02 190.211 1.09148e+01 190.211 0.9627 
1 1 1 22 2  37 o 4  3.31660e+01 1.06515e+01 3.31404e+01 68.962  8.11844e-01  2.11072e+00  0.00000e+00 0.00000e+00 2.84883e+01 68.962  4.65212e+00 248.962 0.7364 
1 1 1 22 2  38 f 0  3.65021e+01 1.13670e+01 8.98426e+01 197.931 -6.59876e+00 -2.13531e+00 0.00000e+00 0.00000e+00 4.93190e+00 17.931  9.47745e+01 17.931  0.9248 
1 1 1 22 2  39 o 3  9.19093e+01 9.99741e+00 1.11289e+02 57.861  1.28325e+01  2.04255e+01  0.00000e+00 0.00000e+00 1.14298e+02 57.861  3.00955e+00 57.861  0.9790 
1 1 1 22 2  40 o 18 4.15975e+01 1.20813e+01 8.42387e+01 28.388  6.27383e+00  3.39053e+00  0.00000e+00 0.00000e+00 1.21009e+01 28.388  7.21378e+01 208.388 0.9270 
1 1 1 22 2  41 o 8  6.08442e+01 1.36864e+01 6.21299e+01 29.185  6.54791e+00  3.65719e+00  0.00000e+00 0.00000e+00 7.88621e+01 29.185  1.67322e+01 29.185  0.9307 
1 1 1 22 3  0  o 8  2.60040e+02 7.09739e+00 2.40266e+02 0.000   3.66852e+01  0.00000e+00  0.00000e+00 0.00000e+00 4.56354e+02 0.000   2.16087e+02 0.000   1.0000 
1 1 1 22 3  1  o 16 1.44725e+02 6.90467e+00 2.31775e+02 70.316  1.28117e+01  3.58126e+01  0.00000e+00 0.00000e+00 1.50779e+02 70.316  8.09966e+01 250.316 0.9868 
1 1 1 22 3  2  o 18 1.01215e+02 9.60664e+00 1.25334e+02 22.593  1.24287e+01  5.17171e+00  0.00000e+00 0.00000e+00 1.35491e+02 22.593  1.01572e+01 22.593  0.9621 
1 1 1 22 3  3  o 6  4.34693e+01 1.25525e+01 6.23816e+01 339.386 2.46200e+00  -9.26085e-01 0.00000e+00 0.00000e+00 2.82354e+01 339.386 3.41462e+01 159.386 0.7785 
1 1 1 22 3  4  o 4  9.57334e+01 9.72897e+00 1.29843e+02 186.729 -1.30182e+01 -1.53605e+00 0.00000e+00 0.00000e+00 1.16462e+02 186.729 1.33809e+01 6.729   0.9611 
1 1 1 22 3  5  o 17 8.13812e+01 1.07089e+01 3.28340e+01 215.821 -2.21736e+00 -1.60047e+00 0.00000e+00 0.00000e+00 1.38834e+02 215.821 1.06000e+02 215.821 0.7883 
1 1 1 22 3  6  o 8  1.46572e+02 6.52395e+00 1.81224e+02 186.493 -2.98827e+01 -3.40082e+00 0.00000e+00 0.00000e+00 2.04244e+02 186.493 2.30203e+01 186.493 0.9832 
1 1 1 22 3  7  o 2  3.67460e+01 1.13790e+01 3.11835e+01 199.668 -1.04368e+00 -3.73032e-01 0.00000e+00 0.00000e+00 1.63073e+01 199.668 1.48762e+01 19.668  0.4835 
1 1 1 22 3  8  o 18 9.13532e+01 1.00503e+01 1.02747e+02 73.887  2.60653e+00  9.02286e+00  0.00000e+00 0.00000e+00 1.27920e+02 73.887  2.51731e+01 73.887  0.9452 
1 1 1 22 3  9  o 17 1.33058e+02 7.12225e+00 1.42516e+02 356.993 2.02232e+01  -1.06224e+00 0.00000e+00 0.00000e+00 2.03804e+02 356.993 6.12879e+01 356.993 0.9750 
1 1 1 22 3  10 o 19 9.15973e+01 1.02585e+01 1.94119e+02 314.451 1.22833e+01  -1.25209e+01 0.00000e+00 0.00000e+00 4.31334e+01 314.451 1.50986e+02 134.451 0.9711 
1 1 1 22 3  11 o 18 5.10856e+01 1.28154e+01 5.56126e+01 351.769 2.96640e+00  -4.29081e-01 0.00000e+00 0.00000e+00 5.46315e+01 351.769 9.81114e-01 171.769 0.8098 
1 1 1 22 3  12 o 10 4.75470e+01 1.26516e+01 5.02371e+01 247.704 -9.57282e-01 -2.33458e+00 0.00000e+00 0.00000e+00 4.69165e+01 247.704 3.32062e+00 67.704  0.7675 
1 1 1 22 3  13 o 13 9.67239e+01 9.40304e+00 1.62323e+02 291.386 6.68722e+00  -1.70761e+01 0.00000e+00 0.00000e+00 8.77929e+01 291.386 7.45303e+01 111.386 0.9723 
1 1 1 22 3  14 o 4  6.10181e+01 1.28693e+01 8.71510e+01 199.364 -5.53776e+00 -1.94623e+00 0.00000e+00 0.00000e+00 6.03926e+01 199.364 2.67584e+01 19.364  0.9103 
1 1 1 22 3  15 o 9  6.86920e+01 1.27287e+01 1.08934e+02 351.616 8.16846e+00  -1.20383e+00 0.00000e+00 0.00000e+00 6.18857e+01 351.616 4.70482e+01 171.616 0.9373 
1 1 1 22 3  18 f 0  3.91517e+01 1.17975e+01 2.51824e+01 234.264 -7.30735e-01 -1.01557e+00 0.00000e+00 0.00000e+00 2.94622e+01 234.264 4.27979e+00 234.264 0.5283 
1 1 1 22 3  19 o 7  5.78747e+01 1.38298e+01 8.72513e+01 18.951  5.53826e+00  1.90166e+00  0.00000e+00 0.00000e+00 5.16636e+01 18.951  3.55877e+01 198.951 0.9101 
1 1 1 22 3  20 o 12 5.65701e+01 1.35635e+01 6.29147e+01 180.284 -4.24851e+00 -2.10758e-02 0.00000e+00 0.00000e+00 6.70378e+01 180.284 4.12307e+00 180.284 0.8724 
1 1 1 22 3  21 o 6  5.14136e+01 1.32317e+01 8.33882e+01 193.965 -5.00092e+00 -1.24363e+00 0.00000e+00 0.00000e+00 3.78044e+01 193.965 4.55838e+01 13.965  0.8968 
1 1 1 22 3  22 o 5  4.91584e+01 1.28228e+01 5.54491e+01 34.917  2.63071e+00  1.83634e+00  0.00000e+00 0.00000e+00 5.08566e+01 34.917  4.59250e+00 214.917 0.8243 
1 1 1 22 3  23 o 2  7.33175e+01 1.15351e+01 6.09152e+01 174.701 -5.78126e+00 5.36208e-01  0.00000e+00 0.00000e+00 1.13638e+02 174.701 5.27232e+01 174.701 0.9092 
1 1 1 22 3  24 o 11 1.21095e+02 7.75568e+00 1.27687e+02 148.350 -1.93339e+01 1.19177e+01  0.00000e+00 0.00000e+00 1.81704e+02 148.350 5.40173e+01 148.350 0.9777 
1 1 1 22 3  25 o 18 1.04533e+02 8.17468e+00 1.21564e+02 357.789 1.90559e+01  -7.35664e-01 0.00000e+00 0.00000e+00 1.43773e+02 357.789 2.22095e+01 357.789 0.9734 
1 1 1 22 3  26 o 1  8.25812e+01 1.02021e+01 1.14662e+02 227.186 -9.99133e+00 -1.07844e+01 0.00000e+00 0.00000e+00 9.27648e+01 227.186 2.18968e+01 47.186  0.9654 
1 1 1 22 3  27 o 3  3.86744e+01 1.15778e+01 8.41488e+01 38.085  3.76089e+00  2.94734e+00  0.00000e+00 0.00000e+00 5.00106e+00 38.085  7.91478e+01 218.085 0.8880 
1 1 1 22 3  28 o 16 1.00917e+02 9.27956e+00 1.14294e+02 140.891 -1.43058e+01 1.16297e+01  0.00000e+00 0.00000e+00 1.39872e+02 140.891 2.55780e+01 140.891 0.9725 
1 1 1 22 3  29 o 6  5.70171e+01 1.36377e+01 6.40004e+01 296.069 2.08341e+00  -4.25863e+00 0.00000e+00 0.00000e+00 6.66563e+01 296.069 2.65592e+00 296.069 0.8870 
1 1 1 22 3  30 o 15 6.19911e+01 1.31307e+01 6.67621e+01 94.276  -4.55523e-01 6.09197e+00  0.00000e+00 0.00000e+00 7.92467e+01 94.276  1.24846e+01 94.276  0.9140 
1 1 1 22 3  31 o 9  6.31526e+01 1.23825e+01 6.51107e+01 182.809 -6.21628e+00 -3.04991e-01 0.00000e+00 0.00000e+00 8.35160e+01 182.809 1.84053e+01 182.809 0.9157 
1 1 1 22 3  32 o 13 1.11405e+02 8.57169e+00 1.63237e+02 345.783 3.15533e+01  -7.99390e+00 0.00000e+00 0.00000e+00 1.17888e+02 345.783 4.53492e+01 165.783 0.9845 
1 1 1 22 3  33 f 0  5.57461e+01 1.29221e+01 1.03167e+02 129.103 -5.70784e+00 7.02285e+00  0.00000e+00 0.00000e+00 3.11983e+01 129.103 7.19687e+01 309.103 0.9430 
1 1 1 22 3  34 o 5  3.98514e+01 1.19062e+01 2.42080e+01 165.610 -1.64535e+00 4.22158e-01  0.00000e+00 0.00000e+00 4.09501e+01 165.610 1.67420e+01 165.610 0.6415 
1 1 1 22 3  35 o 13 5.40640e+01 1.28227e+01 6.86352e+01 42.161  4.76415e+00  4.31401e+00  0.00000e+00 0.00000e+00 5.75485e+01 42.161  1.10867e+01 222.161 0.9185 
1 1 1 22 3  36 o 3  2.86676e+01 9.69039e+00 3.19985e+01 294.735 8.35177e-01  -1.81292e+00 0.00000e+00 0.00000e+00 1.86278e+01 294.735 1.33707e+01 114.735 0.6971 
1 1 1 22 3  37 o 11 3.11137e+01 1.02972e+01 2.65132e+01 189.868 -1.69825e+00 -2.95403e-01 0.00000e+00 0.00000e+00 2.43047e+01 189.868 2.20853e+00 9.868   0.6468 
1 1 1 22 3  38 o 18 8.41059e+01 1.07353e+01 9.63981e+01 320.403 1.36708e+01  -1.13084e+01 0.00000e+00 0.00000e+00 1.09250e+02 320.403 1.28522e+01 320.403 0.9714 
1 1 1 22 3  39 o 9  3.22249e+01 1.06422e+01 3.96837e+01 192.401 -2.82369e+00 -6.20893e-01 0.00000e+00 0.00000e+00 2.51217e+01 192.401 1.45619e+01 12.401  0.8016 
1 1 1 22 3  40 o 4  4.58191e+01 1.24974e+01 4.38002e+01 220.470 -3.29929e+00 -2.81491e+00 0.00000e+00 0.00000e+00 5.64767e+01 220.470 1.26765e+01 220.470 0.8753 
1 1 1 22 4  0  o 19 1.16947e+02 1.16216e+01 1.07444e+02 0.000   6.85330e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.06154e+02 0.000   9.87098e+01 0.000   1.0000 
1 1 1 22 4  1  o 3  5.84454e+01 1.32484e+01 1.53546e+02 35.855  6.65403e+00  4.80868e+00  0.00000e+00 0.00000e+00 6.70786e+00 215.855 1.60253e+02 215.855 0.9370 
1 1 1 22 4  2  o 1  1.44680e+02 7.45511e+00 1.25014e+02 292.459 7.40577e+00  -1.79152e+01 0.00000e+00 0.00000e+00 2.52745e+02 292.459 1.27730e+02 292.459 0.9739 
1 1 1 22 4  3  o 2  6.19939e+01 1.27909e+01 1.51663e+02 24.510  7.92849e+00  3.61494e+00  0.00000e+00 0.00000e+00 4.66445e+00 24.510  1.46999e+02 204.510 0.9407 
1 1 1 22 4  4  o 19 6.32619e+01 1.06757e+01 8.90294e+01 336.209 5.08163e+00  -2.24026e+00 0.00000e+00 0.00000e+00 6.43575e+01 336.209 2.46719e+01 156.210 0.9048 
1 1 1 22 4  5  o 5  6.13959e+01 1.28724e+01 9.46807e+01 274.494 4.19589e-01  -5.33823e+00 0.00000e+00 0.00000e+00 5.34981e+01 274.494 4.11826e+01 94.494  0.9010 
1 1 1 22 4  6  o 4  1.09803e+02 8.40634e+00 1.43509e+02 310.466 1.06419e+01  -1.24752e+01 0.00000e+00 0.00000e+00 1.41366e+02 310.466 2.14320e+00 130.466 0.9690 
1 1 1 22 4  7  o 19 4.63411e+01 1.24922e+01 4.41966e+01 242.975 -8.62996e-01 -1.69189e+00 0.00000e+00 0.00000e+00 4.01907e+01 242.975 4.00589e+00 62.975  0.6805 
1 1 1 22 4  8  o 9  3.57026e+01 1.10676e+01 8.21034e+01 257.895 -5.92726e-01 -2.76372e+00 0.00000e+00 0.00000e+00 6.07706e+00 77.895  8.81805e+01 77.895  0.7963 
1 1 1 22 4  9  o 11 1.69312e+02 5.85268e+00 1.93931e+02 220.651 -3.21923e+01 -2.76421e+01 0.00000e+00 0.00000e+00 2.53140e+02 220.651 5.92093e+01 220.651 0.9881 
1 1 1 22 4  10 o 6  8.42048e+01 1.02411e+01 1.39827e+02 160.375 -1.27203e+01 4.53587e+00  0.00000e+00 0.00000e+00 7.65106e+01 160.375 6.33160e+01 340.374 0.9622 
1 1 1 22 4  11 o 6  4.79681e+01 1.25197e+01 1.13437e+01 317.736 4.26098e-01  -3.87235e-01 0.00000e+00 0.00000e+00 2.40472e+01 317.736 1.27035e+01 317.736 0.2766 
1 1 1 22 4  12 f 0  7.35804e+01 1.11731e+01 1.47524e+02 263.965 -1.34384e+00 -1.27115e+01 0.00000e+00 0.00000e+00 4.07306e+01 263.965 1.06793e+02 83.965  0.9600 
1 1 1 22 4  13 o 6  1.49309e+02 6.33913e+00 2.00305e+02 35.506  3.28574e+01  2.34422e+01  0.00000e+00 0.00000e+00 1.92213e+02 35.506  8.09207e+00 215.506 0.9875 
1 1 1 22 4  16 o 3  8.56097e+01 1.70600e+01 6.80135e+01 159.813 -4.28210e+00 1.57444e+00  0.00000e+00 0.00000e+00 1.32272e+02 159.813 6.42587e+01 159.813 0.8821 
1 1 1 22 4  17 o 18 9.25349e+01 1.10015e+01 1.70377e+02 141.628 -1.61692e+01 1.28028e+01  0.00000e+00 0.00000e+00 6.86697e+01 141.628 1.01707e+02 321.628 0.9754 
1 1 1 22 4  18 o 12 7.27295e+01 1.28352e+01 1.50652e+02 343.025 1.26627e+01  -3.86522e+00 0.00000e+00 0.00000e+00 3.42568e+01 343.025 1.16396e+02 163.025 0.9615 
1 1 1 22 4  19 o 5  4.76643e+01 1.30031e+01 1.51037e+01 188.014 -8.71448e-01 -1.22690e-01 0.00000e+00 0.00000e+00 3.55186e+01 188.014 2.04148e+01 188.014 0.4023 
1 1 1 22 4  20 o 17 7.49005e+01 1.27317e+01 1.15137e+02 48.720  6.98525e+00  7.95680e+00  0.00000e+00 0.00000e+00 7.27102e+01 48.720  4.24263e+01 228.720 0.9515 
1 1 1 22 4  21 o 18 1.07660e+02 9.38240e+00 1.34757e+02 307.494 1.18001e+01  -1.53814e+01 0.00000e+00 0.00000e+00 1.41095e+02 307.494 6.33732e+00 307.494 0.9739 
1 1 1 22 4  22 o 19 1.05893e+02 8.71780e+00 1.19486e+02 60.529  8.97982e+00  1.58906e+01  0.00000e+00 0.00000e+00 1.50877e+02 60.529  3.13911e+01 60.529  0.9722 
1 1 1 22 4  23 o 15 5.51836e+01 1.25522e+01 1.01946e+02 86.530  4.22047e-01  6.96044e+00  0.00000e+00 0.00000e+00 3.18789e+01 86.530  7.00672e+01 266.530 0.9252 
1 1 1 22 4  24 o 13 1.31113e+02 7.11932e+00 1.96774e+02 71.207  1.29183e+01  3.79636e+01  0.00000e+00 0.00000e+00 1.41882e+02 71.207  5.48918e+01 251.207 0.9875 
1 1 1 22 4  25 o 9  5.34214e+01 1.21727e+01 6.32453e+01 102.095 -1.01148e+00 4.71993e+00  0.00000e+00 0.00000e+00 6.07484e+01 102.095 2.49691e+00 282.096 0.8892 
1 1 1 22 4  26 o 6  6.80656e+01 1.08600e+01 5.25309e+01 139.450 -4.12699e+00 3.53096e+00  0.00000e+00 0.00000e+00 1.07463e+02 139.450 5.49318e+01 139.450 0.9025 
1 1 1 22 4  27 o 4  5.32028e+01 1.24438e+01 2.15377e+01 133.176 -1.10020e+00 1.17256e+00  0.00000e+00 0.00000e+00 6.44117e+01 133.176 4.28739e+01 133.176 0.6217 
1 1 1 22 4  28 o 19 6.55273e+01 1.19678e+01 1.14289e+02 266.006 -7.32559e-01 -1.04911e+01 0.00000e+00 0.00000e+00 4.72928e+01 266.006 6.69964e+01 86.006  0.9512 
1 1 1 22 4  29 o 3  4.13347e+01 1.22928e+01 3.37194e+01 176.461 -2.14695e+00 1.32783e-01  0.00000e+00 0.00000e+00 4.33589e+01 176.461 9.63954e+00 176.461 0.7211 
1 1 1 22 4  30 o 3  8.83718e+01 1.20548e+01 1.06607e+02 270.060 1.51775e-02  -1.45378e+01 0.00000e+00 0.00000e+00 1.13358e+02 270.060 6.75138e+00 270.060 0.9650 
1 1 1 22 4  31 o 18 6.97535e+01 1.35196e+01 7.71349e+01 252.775 -2.28796e+00 -7.37960e+00 0.00000e+00 0.00000e+00 9.02658e+01 252.775 1.31309e+01 252.775 0.9328 
1 1 1 22 4  32 o 14 4.59211e+01 1.27933e+01 8.03136e+01 117.057 -2.66726e+00 5.22199e+00  0.00000e+00 0.00000e+00 2.69241e+01 117.057 5.33895e+01 297.057 0.9102 
1 1 1 22 4  33 o 4  3.28989e+01 1.05973e+01 1.74760e+01 48.097  7.27344e-01  8.10545e-01  0.00000e+00 0.00000e+00 2.26783e+01 48.097  5.20224e+00 48.097  0.4771 
1 1 1 22 4  34 o 7  2.99080e+01 1.00571e+01 2.72047e+01 334.356 1.48344e+00  -7.12142e-01 0.00000e+00 0.00000e+00 2.08714e+01 334.356 6.33327e+00 154.356 0.6301 
1 1 1 22 4  35 o 19 6.43523e+01 1.28179e+01 9.78615e+01 349.680 1.13338e+01  -2.06369e+00 0.00000e+00 0.00000e+00 5.85467e+01 349.680 3.93148e+01 169.680 0.9556 
1 1 1 22 4  36 o 17 5.15768e+01 1.29134e+01 6.73315e+01 212.576 -5.29166e+00 -3.38107e+00 0.00000e+00 0.00000e+00 5.25336e+01 212.576 1.47979e+01 32.576  0.9165 
1 1 1 22 4  37 o 4  4.26950e+01 1.19716e+01 3.74553e+01 2.025   3.26040e+00  1.15260e-01  0.00000e+00 0.00000e+00 5.18689e+01 2.025   1.44136e+01 2.025   0.8277 
1 1 1 22 4  38 o 4  4.06271e+01 1.22443e+01 1.73304e+01 15.590  1.39476e+00  3.89173e-01  0.00000e+00 0.00000e+00 4.23507e+01 15.590  2.50203e+01 15.590  0.5830 
1 1 1 22 4  39 o 18 6.83778e+01 1.27681e+01 7.06516e+01 192.562 -9.20676e+00 -2.05163e+00 0.00000e+00 0.00000e+00 9.16884e+01 192.562 2.10368e+01 192.562 0.9454 
1 1 1 22 4  40 o 16 3.52885e+01 1.14382e+01 4.47250e+01 189.924 -3.58983e+00 -6.28056e-01 0.00000e+00 0.00000e+00 3.01948e+01 189.924 1.45301e+01 9.924   0.8483 
1 1 1 22 5  0  o 3  1.28558e+02 9.62259e+00 1.79015e+02 180.000 -1.23606e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.66161e+02 180.000 1.28533e+01 0.000   1.0000 
1 1 1 22 5  1  o 13 8.87430e+01 1.03754e+01 1.23795e+02 246.306 -4.35580e+00 -9.92556e+00 0.00000e+00 0.00000e+00 1.03197e+02 246.306 2.05988e+01 66.306  0.9527 
1 1 1 22 5  2  o 8  4.08463e+01 1.18847e+01 1.85578e+01 136.409 -5.18256e-01 4.93376e-01  0.00000e+00 0.00000e+00 1.83594e+01 136.409 1.98427e-01 316.409 0.3367 
1 1 1 22 5  3  o 5  4.81869e+01 1.14761e+01 4.28548e+01 18.050  2.18274e+00  7.11304e-01  0.00000e+00 0.00000e+00 5.29571e+01 18.050  1.01024e+01 18.050  0.7408 
1 1 1 22 5  4  o 17 7.13412e+01 1.19921e+01 7.62344e+01 336.201 5.42606e+00  -2.39307e+00 0.00000e+00 0.00000e+00 9.81981e+01 336.201 2.19637e+01 336.201 0.9113 
1 1 1 22 5  5  o 15 1.28016e+02 7.42791e+00 1.04024e+02 282.237 3.52850e+00  -1.62693e+01 0.00000e+00 0.00000e+00 2.28849e+02 282.237 1.24825e+02 282.237 0.9695 
1 1 1 22 5  6  o 1  6.07003e+01 1.13446e+01 6.01367e+01 16.148  3.89325e+00  1.12727e+00  0.00000e+00 0.00000e+00 8.07093e+01 16.148  2.05727e+01 16.148  0.8655 
1 1 1 22 5  7  o 9  2.10831e+02 5.23024e+00 2.74932e+02 197.566 -7.20195e+01 -2.27985e+01 0.00000e+00 0.00000e+00 2.86202e+02 197.566 1.12697e+01 197.566 0.9934 
1 1 1 22 5  8  o 11 1.13194e+02 8.01196e+00 1.48639e+02 116.869 -9.27820e+00 1.83128e+01  0.00000e+00 0.00000e+00 1.46972e+02 116.869 1.66695e+00 296.869 0.9753 
1 1 1 22 5  9  o 15 3.52464e+01 1.10172e+01 5.29162e+01 85.403  1.77556e-01  2.20808e+00  0.00000e+00 0.00000e+00 1.59396e+01 85.403  3.69766e+01 265.403 0.7301 
1 1 1 22 5  10 o 18 4.01650e+01 1.18348e+01 3.73948e+01 290.549 6.05784e-01  -1.61601e+00 0.00000e+00 0.00000e+00 3.21015e+01 290.549 5.29325e+00 110.549 0.6472 
1 1 1 22 5  11 o 3  4.00406e+01 1.20039e+01 7.12173e+01 280.460 5.88718e-01  -3.18887e+00 0.00000e+00 0.00000e+00 1.71701e+01 280.460 5.40472e+01 100.460 0.8264 
1 1 1 22 5  14 o 11 4.65775e+01 2.06005e+01 1.12247e+02 173.147 -3.57585e+00 4.29752e-01  0.00000e+00 0.00000e+00 7.30767e+00 353.147 1.19555e+02 353.147 0.8462 
1 1 1 22 5  15 o 13 1.89819e+02 5.82779e+00 2.26926e+02 165.239 -6.44525e+01 1.69824e+01  0.00000e+00 0.00000e+00 2.74013e+02 165.239 4.70868e+01 165.239 0.9925 
1 1 1 22 5  16 o 2  7.06172e+01 1.16623e+01 7.49327e+01 81.337  1.01321e+00  6.65003e+00  0.00000e+00 0.00000e+00 9.80299e+01 81.337  2.30972e+01 81.337  0.9223 
1 1 1 22 5  17 o 8  3.36796e+01 1.08201e+01 5.95329e+01 7.626   2.66452e+00  3.56765e-01  0.00000e+00 0.00000e+00 1.04868e+01 7.626   4.90461e+01 187.626 0.7840 
1 1 1 22 5  18 o 9  1.35565e+02 7.53705e+00 1.54496e+02 45.473  2.18819e+01  2.22459e+01  0.00000e+00 0.00000e+00 1.98644e+02 45.473  4.41474e+01 45.473  0.9838 
1 1 1 22 5  19 o 9  5.73713e+01 1.34478e+01 7.32894e+01 271.115 9.45439e-02  -4.85550e+00 0.00000e+00 0.00000e+00 6.16805e+01 271.115 1.16089e+01 91.115  0.8899 
1 1 1 22 5  20 o 13 5.15160e+01 1.23010e+01 1.07531e+02 324.355 5.40558e+00  -3.87643e+00 0.00000e+00 0.00000e+00 1.77399e+01 324.355 8.97914e+01 144.355 0.9214 
1 1 1 22 5  21 o 6  4.83656e+01 1.25644e+01 7.73036e+01 136.649 -3.39179e+00 3.20202e+00  0.00000e+00 0.00000e+00 3.54545e+01 136.649 4.18491e+01 316.649 0.8850 
1 1 1 22 5  22 o 14 7.16838e+01 1.20107e+01 1.12360e+02 38.932  8.24692e+00  6.66214e+00  0.00000e+00 0.00000e+00 6.70107e+01 38.932  4.53493e+01 218.932 0.9516 
1 1 1 22 5  23 o 10 4.82088e+01 1.22634e+01 8.25566e+01 309.481 3.26935e+00  -3.96872e+00 0.00000e+00 0.00000e+00 3.08778e+01 309.481 5.16788e+01 129.481 0.8966 
1 1 1 22 5  24 o 9  7.25964e+01 1.13983e+01 1.39203e+02 143.448 -1.20082e+01 8.90257e+00  0.00000e+00 0.00000e+00 4.44597e+01 143.448 9.47435e+01 323.448 0.9660 
1 1 1 22 5  25 o 1  5.39026e+01 1.25016e+01 1.09367e+02 335.573 7.58033e+00  -3.44294e+00 0.00000e+00 0.00000e+00 2.27579e+01 335.573 8.66093e+01 155.573 0.9379 
1 1 1 22 5  26 o 9  6.19176e+01 1.22628e+01 7.97263e+01 178.951 -6.98726e+00 1.27976e-01  0.00000e+00 0.00000e+00 6.96986e+01 178.951 1.00277e+01 358.951 0.9254 
1 1 1 22 5  27 o 9  7.85862e+01 1.16105e+01 1.05305e+02 82.069  1.63026e+00  1.17028e+01  0.00000e+00 0.00000e+00 9.03123e+01 82.069  1.49930e+01 262.069 0.9567 
1 1 1 22 5  28 o 18 5.03409e+01 1.29844e+01 9.72330e+01 304.232 4.11040e+00  -6.04110e+00 0.00000e+00 0.00000e+00 2.41345e+01 304.232 7.30985e+01 124.232 0.9288 
1 1 1 22 5  29 o 8  3.55452e+01 1.11848e+01 5.91603e+01 276.653 3.92438e-01  -3.36427e+00 0.00000e+00 0.00000e+00 1.76899e+01 276.653 4.14705e+01 96.653  0.8350 
1 1 1 22 5  30 o 11 4.46329e+01 1.17491e+01 2.16681e+01 21.900  1.40737e+00  5.65767e-01  0.00000e+00 0.00000e+00 4.75279e+01 21.900  2.58598e+01 21.900  0.6003 
1 1 1 22 5  31 o 7  4.78442e+01 1.26565e+01 6.77571e+01 105.842 -1.41963e+00 5.00298e+00  0.00000e+00 0.00000e+00 4.28962e+01 105.842 2.48609e+01 285.842 0.8978 
1 1 1 22 5  32 o 6  3.65776e+01 1.15608e+01 4.68524e+01 122.672 -1.66999e+00 2.60411e+00  0.00000e+00 0.00000e+00 2.98876e+01 122.672 1.69648e+01 302.672 0.8167 
1 1 1 22 5  33 o 5  3.82549e+01 1.09147e+01 3.00158e+01 245.210 -9.33062e-01 -2.02026e+00 0.00000e+00 0.00000e+00 4.16729e+01 245.210 1.16572e+01 245.210 0.7315 
1 1 1 22 5  34 o 16 4.50632e+01 1.26587e+01 6.28674e+01 252.081 -1.61311e+00 -4.98871e+00 0.00000e+00 0.00000e+00 4.05842e+01 252.081 2.22832e+01 72.081  0.8987 
1 1 1 22 5  35 o 2  3.54356e+01 1.13122e+01 4.46816e+01 165.187 -3.04709e+00 8.05794e-01  0.00000e+00 0.00000e+00 2.93762e+01 165.187 1.53054e+01 345.187 0.8206 
1 1 1 22 5  36 o 4  3.02628e+01 1.01281e+01 1.25426e+01 163.011 -8.30416e-01 2.53712e-01  0.00000e+00 0.00000e+00 1.80225e+01 163.011 5.47986e+00 163.011 0.3978 
1 1 1 22 5  37 o 17 3.46550e+01 1.12051e+01 2.35124e+01 233.315 -1.07200e+00 -1.43897e+00 0.00000e+00 0.00000e+00 3.44609e+01 233.315 1.09485e+01 233.315 0.6609 
1 1 1 22 5  38 o 5  6.98569e+01 1.23229e+01 9.18521e+01 174.308 -1.28555e+01 1.28141e+00  0.00000e+00 0.00000e+00 7.74216e+01 174.308 1.44305e+01 354.308 0.9605 
1 1 1 22 5  39 o 13 4.10011e+01 1.19628e+01 3.15714e+01 301.772 1.52442e+00  -2.46131e+00 0.00000e+00 0.00000e+00 5.11041e+01 301.772 1.95327e+01 301.772 0.8019 
1 1 1 22 6  0  o 11 6.21762e+01 1.98183e+01 8.25450e+01 0.000   2.57664e+00  0.00000e+00  0.00000e+00 0.00000e+00 8.27368e+01 0.000   1.91736e-01 0.000   0.9885 
1 1 1 22 6  1  o 14 6.28288e+01 1.28695e+01 8.31171e+01 119.538 -2.69650e+00 4.75866e+00  0.00000e+00 0.00000e+00 6.94870e+01 119.538 1.36302e+01 299.538 0.9032 
1 1 1 22 6  2  o 14 1.25105e+02 6.85813e+00 1.79381e+02 295.785 1.32130e+01  -2.73510e+01 0.00000e+00 0.00000e+00 1.51408e+02 295.785 2.79733e+01 115.785 0.9834 
1 1 1 22 6  3  o 19 7.40520e+01 1.10519e+01 1.53847e+02 235.596 -7.65727e+00 -1.11815e+01 0.00000e+00 0.00000e+00 3.77248e+01 235.596 1.16122e+02 55.596  0.9624 
1 1 1 22 6  4  o 18 3.49026e+01 1.09298e+01 6.96145e+01 147.208 -2.43660e+00 1.56977e+00  0.00000e+00 0.00000e+00 5.62686e+00 147.208 6.39877e+01 327.208 0.8022 
1 1 1 22 6  5  o 4  1.05940e+02 7.75430e+00 1.25110e+02 351.385 1.72391e+01  -2.61171e+00 0.00000e+00 0.00000e+00 1.51192e+02 351.385 2.60815e+01 351.385 0.9709 
1 1 1 22 6  6  o 4  1.64174e+02 5.57713e+00 2.31885e+02 110.345 -1.83021e+01 4.93576e+01  0.00000e+00 0.00000e+00 2.04718e+02 110.345 2.71667e+01 290.345 0.9905 
1 1 1 22 6  7  o 19 6.83361e+01 1.23648e+01 1.12660e+02 65.116  3.64419e+00  7.85649e+00  0.00000e+00 0.00000e+00 5.97842e+01 65.116  5.28759e+01 245.116 0.9404 
1 1 1 22 6  11 f 0  6.64537e+01 2.50932e+01 5.74487e+01 175.053 -2.20593e+00 1.90943e-01  0.00000e+00 0.00000e+00 7.23263e+01 175.053 1.48777e+01 175.053 0.7300 
1 1 1 22 6  12 o 16 1.01716e+02 7.95470e+00 1.07245e+02 58.884  8.27184e+00  1.37036e+01  0.00000e+00 0.00000e+00 1.55961e+02 58.884  4.87159e+01 58.884  0.9682 
1 1 1 22 6  13 o 1  5.64011e+01 1.15119e+01 6.36909e+01 226.261 -3.19305e+00 -3.33680e+00 0.00000e+00 0.00000e+00 6.93709e+01 226.261 5.67991e+00 226.261 0.8837 
1 1 1 22 6  14 o 19 1.78835e+02 5.73176e+00 1.97477e+02 323.504 4.37445e+01  -3.23639e+01 0.00000e+00 0.00000e+00 2.74995e+02 323.504 7.75181e+01 323.504 0.9908 
1 1 1 22 6  15 o 16 6.60564e+01 1.32099e+01 1.08234e+02 166.715 -8.46992e+00 1.99983e+00  0.00000e+00 0.00000e+00 5.72500e+01 166.715 5.09835e+01 346.715 0.9407 
1 1 1 22 6  16 o 7  6.13429e+01 1.30238e+01 4.90743e+01 285.307 9.69810e-01  -3.54324e+00 0.00000e+00 0.00000e+00 8.95521e+01 285.307 4.04777e+01 285.307 0.8497 
1 1 1 22 6  17 o 13 5.39968e+01 1.33632e+01 6.67322e+01 104.820 -1.07040e+00 4.04554e+00  0.00000e+00 0.00000e+00 5.80719e+01 104.820 8.66030e+00 284.820 0.8703 
1 1 1 22 6  18 o 7  8.64980e+01 1.02583e+01 1.29949e+02 155.332 -1.32807e+01 6.09947e+00  0.00000e+00 0.00000e+00 9.14404e+01 155.332 3.85082e+01 335.332 0.9652 
1 1 1 22 6  19 o 3  9.12057e+01 9.28017e+00 1.40826e+02 295.484 7.85304e+00  -1.64760e+01 0.00000e+00 0.00000e+00 9.39428e+01 295.484 4.68830e+01 115.484 0.9722 
1 1 1 22 6  20 o 2  3.59261e+01 1.07943e+01 4.08483e+01 214.712 -1.60932e+00 -1.11483e+00 0.00000e+00 0.00000e+00 2.47413e+01 214.712 1.61070e+01 34.712  0.6907 
1 1 1 22 6  21 o 7  4.98140e+01 1.25831e+01 3.91209e+01 280.049 4.35630e-01  -2.45823e+00 0.00000e+00 0.00000e+00 6.13768e+01 280.049 2.22558e+01 280.049 0.7646 
1 1 1 22 6  22 o 14 4.00665e+01 1.17119e+01 6.49550e+01 213.153 -3.19606e+00 -2.08769e+00 0.00000e+00 0.00000e+00 2.53828e+01 213.153 3.95722e+01 33.153  0.8561 
1 1 1 22 6  23 o 10 7.19966e+01 1.16734e+01 1.15670e+02 63.747  5.37132e+00  1.08907e+01  0.00000e+00 0.00000e+00 6.56066e+01 63.747  5.00636e+01 243.747 0.9579 
1 1 1 22 6  24 o 12 3.31987e+01 1.05805e+01 3.64693e+01 207.851 -1.64370e+00 -8.68479e-01 0.00000e+00 0.00000e+00 2.21585e+01 207.851 1.43108e+01 27.851  0.6732 
1 1 1 22 6  25 o 12 4.40962e+01 1.23485e+01 7.10613e+01 26.107  3.91864e+00  1.92031e+00  0.00000e+00 0.00000e+00 3.00762e+01 26.107  4.09852e+01 206.107 0.8762 
1 1 1 22 6  26 o 15 3.76361e+01 1.17284e+01 2.26852e+01 153.480 -1.08405e+00 5.40956e-01  0.00000e+00 0.00000e+00 2.80718e+01 153.480 5.38658e+00 153.480 0.5163 
1 1 1 22 6  27 o 11 5.66824e+01 1.25498e+01 6.09090e+01 101.882 -1.08348e+00 5.14949e+00  0.00000e+00 0.00000e+00 7.19023e+01 101.882 1.09934e+01 101.882 0.8991 
1 1 1 22 6  28 o 14 3.70367e+01 1.12616e+01 6.76849e+01 199.940 -3.78073e+00 -1.37162e+00 0.00000e+00 0.00000e+00 1.55413e+01 199.940 5.21436e+01 19.940  0.8644 
1 1 1 22 6  29 o 19 7.28576e+01 1.20107e+01 7.28129e+01 51.075  5.16190e+00  6.39158e+00  0.00000e+00 0.00000e+00 1.04232e+02 51.075  3.14189e+01 51.075  0.9370 
1 1 1 22 6  30 o 15 3.95582e+01 1.16774e+01 8.70412e+00 29.267  5.06888e-01  2.84072e-01  0.00000e+00 0.00000e+00 1.98376e+01 29.267  1.11335e+01 29.267  0.2789 
1 1 1 22 6  31 o 19 4.21674e+01 1.23331e+01 1.96096e+01 332.986 1.27548e+00  -6.50289e-01 0.00000e+00 0.00000e+00 4.33574e+01 332.986 2.37478e+01 332.986 0.5788 
1 1 1 22 6  32 o 6  3.61412e+01 1.15759e+01 6.59188e+00 191.108 -4.37199e-01 -8.58364e-02 0.00000e+00 0.00000e+00 1.36263e+01 191.108 7.03445e+00 191.108 0.2174 
1 1 1 22 6  33 o 2  6.55214e+01 1.33487e+01 1.05268e+02 169.072 -1.20263e+01 2.32189e+00  0.00000e+00 0.00000e+00 5.58299e+01 169.072 4.94381e+01 349.072 0.9583 
1 1 1 22 6  34 o 13 3.84193e+01 1.21515e+01 5.82537e+01 109.903 -1.44586e+00 3.99348e+00  0.00000e+00 0.00000e+00 2.74952e+01 109.903 3.07585e+01 289.903 0.8724 
1 1 1 22 6  35 o 3  3.10669e+01 1.05653e+01 6.44877e+01 195.178 -4.31643e+00 -1.17096e+00 0.00000e+00 0.00000e+00 5.20936e+00 195.178 5.92783e+01 15.178  0.8795 
1 1 1 22 6  36 o 13 7.47274e+01 1.28720e+01 9.17899e+01 262.021 -1.88741e+00 -1.34654e+01 0.00000e+00 0.00000e+00 9.11130e+01 262.021 6.76939e-01 82.021  0.9625 
1 1 1 22 6  37 o 1  3.92625e+01 1.18042e+01 3.67990e+01 209.363 -2.62263e+00 -1.47553e+00 0.00000e+00 0.00000e+00 4.38862e+01 209.363 7.08720e+00 209.363 0.8107 
1 1 1 22 6  38 f 0  7.24604e+01 1.24017e+01 8.47186e+01 91.171  -2.72643e-01 1.33424e+01  0.00000e+00 0.00000e+00 9.13744e+01 91.171  6.65573e+00 91.171  0.9618 
1 1 1 22 7  6  o 2  1.56069e+02 1.07595e+01 1.78914e+02 245.755 -1.11006e+01 -2.46481e+01 0.00000e+00 0.00000e+00 2.33070e+02 245.755 5.41555e+01 245.755 0.9813 
1 1 1 22 7  7  o 10 2.07182e+02 4.98295e+00 2.06283e+02 329.249 4.01955e+01  -2.39151e+01 0.00000e+00 0.00000e+00 3.44733e+02 329.249 1.38450e+02 329.249 0.9893 
1 1 1 22 7  8  o 2  5.86515e+01 1.18250e+01 3.71655e+01 93.871  -1.88081e-01 2.77975e+00  0.00000e+00 0.00000e+00 8.77711e+01 93.871  5.06056e+01 93.871  0.7928 
1 1 1 22 7  9  o 13 5.21290e+01 1.13925e+01 7.17488e+01 280.864 9.13818e-01  -4.76136e+00 0.00000e+00 0.00000e+00 5.27744e+01 280.864 1.89744e+01 100.864 0.8897 
1 1 1 22 7  10 o 2  4.27851e+01 1.16075e+01 4.01510e+01 136.062 -1.58401e+00 1.52634e+00  0.00000e+00 0.00000e+00 4.34038e+01 136.062 3.25279e+00 136.062 0.7280 
1 1 1 22 7  11 o 8  3.87111e+01 1.14485e+01 1.23477e+01 43.530  4.56741e-01  4.33880e-01  0.00000e+00 0.00000e+00 1.88116e+01 43.530  6.46393e+00 43.530  0.3003 
1 1 1 22 7  12 o 17 8.32714e+01 1.03229e+01 9.42363e+01 293.266 4.25044e+00  -9.88535e+00 0.00000e+00 0.00000e+00 1.18094e+02 293.266 2.38580e+01 293.266 0.9523 
1 1 1 22 7  13 o 2  5.32389e+01 1.27660e+01 3.87532e+01 57.471  1.37246e+00  2.15189e+00  0.00000e+00 0.00000e+00 7.09701e+01 57.471  3.22169e+01 57.471  0.7706 
1 1 1 22 7  14 o 12 9.81727e+01 8.83308e+00 1.14115e+02 144.335 -1.25798e+01 9.02786e+00  0.00000e+00 0.00000e+00 1.39537e+02 144.335 2.54222e+01 144.335 0.9671 
1 1 1 22 7  15 o 15 5.60959e+01 1.19360e+01 7.15145e+01 102.090 -1.03217e+00 4.81886e+00  0.00000e+00 0.00000e+00 6.19465e+01 102.090 9.56793e+00 282.090 0.8917 
1 1 1 22 7  16 o 3  4.41917e+01 1.15225e+01 6.56687e+01 46.277  2.63769e+00  2.75794e+00  0.00000e+00 0.00000e+00 3.51348e+01 46.277  3.05339e+01 226.277 0.8561 
1 1 1 22 7  17 o 17 5.33173e+01 1.15790e+01 7.70917e+01 69.422  1.88393e+00  5.01783e+00  0.00000e+00 0.00000e+00 5.07450e+01 69.422  2.63466e+01 249.422 0.9011 
1 1 1 22 7  18 o 14 4.51294e+01 1.19533e+01 3.85831e+01 53.747  1.36597e+00  1.86278e+00  0.00000e+00 0.00000e+00 5.04588e+01 53.747  1.18757e+01 53.747  0.7426 
1 1 1 22 7  19 o 10 3.21002e+01 1.02531e+01 6.81217e+01 220.770 -2.33645e+00 -2.01467e+00 0.00000e+00 0.00000e+00 1.36550e+00 220.770 6.67562e+01 40.770  0.8161 
1 1 1 22 7  20 o 11 3.79310e+01 1.12805e+01 5.51902e+01 174.896 -3.12597e+00 2.79220e-01  0.00000e+00 0.00000e+00 2.71460e+01 174.896 2.80442e+01 354.896 0.8197 
1 1 1 22 7  21 o 10 1.71480e+02 5.51080e+00 1.54148e+02 279.296 7.85217e+00  -4.79738e+01 0.00000e+00 0.00000e+00 2.94456e+02 279.296 1.40308e+02 279.296 0.9897 
1 1 1 22 7  22 o 1  4.46609e+01 1.17641e+01 6.26054e+01 115.415 -1.75576e+00 3.69518e+00  0.00000e+00 0.00000e+00 3.95524e+01 115.415 2.30530e+01 295.415 0.8669 
1 1 1 22 7  23 o 12 5.92553e+01 1.27944e+01 9.41322e+01 247.123 -2.97105e+00 -7.04143e+00 0.00000e+00 0.00000e+00 5.13105e+01 247.123 4.28218e+01 67.123  0.9321 
1 1 1 22 7  24 o 12 1.18917e+02 8.08687e+00 1.37526e+02 357.831 2.69561e+01  -1.02085e+00 0.00000e+00 0.00000e+00 1.69146e+02 357.831 3.16197e+01 357.831 0.9813 
1 1 1 22 7  25 o 12 4.98293e+01 1.25937e+01 6.85239e+01 134.246 -3.64081e+00 3.73796e+00  0.00000e+00 0.00000e+00 4.88511e+01 134.246 1.96728e+01 314.246 0.8982 
1 1 1 22 7  26 o 13 3.49746e+01 1.11204e+01 1.22733e+01 99.223  -1.11817e-01 6.88654e-01  0.00000e+00 0.00000e+00 1.78549e+01 99.223  5.58162e+00 99.223  0.3292 
1 1 1 22 7  27 o 18 5.07666e+01 1.21668e+01 5.45905e+01 31.462  3.65660e+00  2.23745e+00  0.00000e+00 0.00000e+00 6.12109e+01 31.462  6.62043e+00 31.462  0.8737 
1 1 1 22 7  28 o 15 6.78098e+01 1.16455e+01 1.17919e+02 214.883 -1.03154e+01 -7.19164e+00 0.00000e+00 0.00000e+00 5.15218e+01 214.883 6.63972e+01 34.883  0.9594 
1 1 1 22 7  29 o 1  4.37205e+01 1.23566e+01 2.67440e+01 4.416   1.89614e+00  1.46440e-01  0.00000e+00 0.00000e+00 5.06097e+01 4.416   2.38658e+01 4.416   0.6810 
1 1 1 22 7  30 o 15 4.71507e+01 1.26727e+01 6.06220e+01 314.461 3.39608e+00  -3.46061e+00 0.00000e+00 0.00000e+00 4.81007e+01 314.461 1.25213e+01 134.461 0.8898 
1 1 1 22 7  31 o 5  5.34484e+01 1.25939e+01 6.40561e+01 151.923 -5.32604e+00 2.84114e+00  0.00000e+00 0.00000e+00 6.20656e+01 151.923 1.99048e+00 331.923 0.9129 
1 1 1 22 7  32 o 8  4.71894e+01 1.28610e+01 8.39196e+01 104.094 -1.76164e+00 7.01633e+00  0.00000e+00 0.00000e+00 2.89718e+01 104.094 5.49478e+01 284.094 0.9281 
1 1 1 22 7  33 o 9  4.84786e+01 1.27817e+01 4.16708e+01 190.302 -3.62965e+00 -6.59753e-01 0.00000e+00 0.00000e+00 6.43030e+01 190.302 2.26323e+01 190.302 0.8504 
1 1 1 22 7  34 o 18 3.74551e+01 1.13547e+01 3.68143e+01 267.899 -1.07480e-01 -2.93028e+00 0.00000e+00 0.00000e+00 4.04525e+01 267.899 3.63823e+00 267.899 0.8048 
1 1 1 22 7  35 o 1  5.12922e+01 1.34413e+01 8.04394e+01 262.395 -1.04219e+00 -7.80530e+00 0.00000e+00 0.00000e+00 4.20076e+01 262.395 3.84319e+01 82.395  0.9342 
1 1 1 22 7  36 o 6  3.66705e+01 1.15473e+01 6.32622e+01 244.425 -2.11936e+00 -4.42844e+00 0.00000e+00 0.00000e+00 2.00017e+01 244.425 4.32605e+01 64.425  0.8912 
1 1 1 22 7  37 o 14 3.62138e+01 1.17167e+01 3.16309e+01 86.044  1.79978e-01  2.60220e+00  0.00000e+00 0.00000e+00 3.97655e+01 86.044  8.13458e+00 86.044  0.7763 
1 1 1 22 8  0  o 10 1.68278e+01 1.22784e+01 5.87134e+01 0.000   7.07770e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.10317e+01 180.000 8.97451e+01 180.000 0.6093 
1 1 1 22 8  1  o 16 3.89214e+01 1.17702e+01 4.79950e+01 292.417 9.09325e-01  -2.20436e+00 0.00000e+00 0.00000e+00 3.10076e+01 292.417 1.69874e+01 112.417 0.7518 
1 1 1 22 8  2  o 5  3.92870e+01 1.16144e+01 7.55008e+01 329.217 3.27158e+00  -1.94893e+00 0.00000e+00 0.00000e+00 1.52508e+01 329.217 6.02499e+01 149.217 0.8557 
1 1 1 22 8  3  o 10 7.44716e+01 1.12065e+01 9.22356e+01 174.274 -8.90967e+00 8.93307e-01  0.00000e+00 0.00000e+00 9.71741e+01 174.274 4.93845e+00 174.274 0.9424 
1 1 1 22 8  4  o 2  1.12054e+02 7.69237e+00 1.56291e+02 195.420 -2.48800e+01 -6.86225e+00 0.00000e+00 0.00000e+00 1.40123e+02 195.420 1.61681e+01 15.420  0.9804 
1 1 1 22 8  5  o 5  8.97648e+01 9.44203e+00 1.22612e+02 149.850 -1.35950e+01 7.89673e+00  0.00000e+00 0.00000e+00 1.11655e+02 149.850 1.09570e+01 329.850 0.9677 
1 1 1 22 8  6  o 16 5.42317e+01 1.13939e+01 7.87003e+01 178.290 -5.63958e+00 1.68384e-01  0.00000e+00 0.00000e+00 5.38119e+01 178.290 2.48883e+01 358.290 0.9064 
1 1 1 22 8  7  o 11 6.29449e+01 1.18405e+01 3.93770e+01 4.388   3.19989e+00  2.45572e-01  0.00000e+00 0.00000e+00 1.00421e+02 4.388   6.10439e+01 4.388   0.8243 
1 1 1 22 8  8  o 17 6.33341e+01 1.21865e+01 3.33593e+01 53.893  1.58473e+00  2.17267e+00  0.00000e+00 0.00000e+00 1.00350e+02 53.893  6.69906e+01 53.893  0.7841 
1 1 1 22 8  9  o 18 4.39523e+01 1.25297e+01 9.10574e+01 27.083  4.45697e+00  2.27905e+00  0.00000e+00 0.00000e+00 1.46045e+01 27.083  7.64528e+01 207.083 0.8935 
1 1 1 22 8  10 o 17 1.39763e+02 7.18048e+00 1.46726e+02 60.487  1.47451e+01  2.60484e+01  0.00000e+00 0.00000e+00 2.22667e+02 60.487  7.59406e+01 60.487  0.9832 
1 1 1 22 8  11 o 19 3.38108e+01 1.07092e+01 3.60880e+01 113.819 -6.37316e-01 1.44370e+00  0.00000e+00 0.00000e+00 1.97480e+01 113.819 1.63400e+01 293.819 0.6149 
1 1 1 22 8  12 o 9  5.64472e+01 1.21915e+01 5.81246e+01 124.025 -2.23275e+00 3.30703e+00  0.00000e+00 0.00000e+00 7.26064e+01 124.025 1.44818e+01 124.025 0.8631 
1 1 1 22 8  13 o 2  5.04104e+01 1.23058e+01 1.24218e+01 51.476  4.97131e-01  6.24435e-01  0.00000e+00 0.00000e+00 3.76170e+01 51.476  2.51951e+01 51.476  0.3703 
1 1 1 22 8  14 o 12 3.56316e+01 1.07498e+01 3.94742e+01 341.024 1.79666e+00  -6.17787e-01 0.00000e+00 0.00000e+00 2.54529e+01 341.024 1.40213e+01 161.024 0.6806 
1 1 1 22 8  15 o 16 1.64593e+02 5.81642e+00 1.77674e+02 6.423   4.79851e+01  5.40230e+00  0.00000e+00 0.00000e+00 2.57842e+02 6.423   8.01679e+01 6.423   0.9896 
1 1 1 22 8  16 o 12 1.04528e+02 7.75434e+00 1.31476e+02 321.246 1.66124e+01  -1.33347e+01 0.00000e+00 0.00000e+00 1.41010e+02 321.246 9.53366e+00 321.246 0.9762 
1 1 1 22 8  17 o 3  5.35924e+01 1.19623e+01 2.64972e+01 270.010 3.13953e-04  -1.86746e+00 0.00000e+00 0.00000e+00 6.99280e+01 270.010 4.34308e+01 270.010 0.6748 
1 1 1 22 8  18 o 17 4.36625e+01 1.12499e+01 4.93677e+01 130.360 -2.09386e+00 2.46377e+00  0.00000e+00 0.00000e+00 4.66373e+01 130.360 2.73044e+00 310.360 0.8259 
1 1 1 22 8  19 o 11 3.40671e+01 1.05341e+01 5.75879e+01 278.251 4.38432e-01  -3.02347e+00 0.00000e+00 0.00000e+00 1.61236e+01 278.251 4.14643e+01 98.251  0.8140 
1 1 1 22 8  20 o 5  3.66896e+01 1.09108e+01 2.91785e+01 133.250 -1.11567e+00 1.18597e+00  0.00000e+00 0.00000e+00 3.17987e+01 133.250 2.62020e+00 133.250 0.6263 
1 1 1 22 8  21 o 1  4.27004e+01 1.20105e+01 1.94219e+01 263.705 -1.29260e-01 -1.17180e+00 0.00000e+00 0.00000e+00 3.78370e+01 263.705 1.84150e+01 263.705 0.5062 
1 1 1 22 8  22 o 17 9.56598e+01 1.09705e+01 1.24824e+02 143.906 -1.42521e+01 1.03905e+01  0.00000e+00 0.00000e+00 1.20835e+02 143.906 3.98966e+00 323.906 0.9712 
1 1 1 22 8  23 o 2  1.36163e+02 7.30886e+00 1.21533e+02 307.647 1.96514e+01  -2.54745e+01 0.00000e+00 0.00000e+00 2.32172e+02 307.647 1.10640e+02 307.647 0.9843 
1 1 1 22 8  24 o 10 4.46989e+01 1.19149e+01 8.97854e+01 67.931  2.36573e+00  5.83506e+00  0.00000e+00 0.00000e+00 1.81339e+01 67.931  7.16514e+01 247.931 0.9167 
1 1 1 22 8  25 f 0  1.50061e+02 6.51312e+00 1.99034e+02 174.686 -5.81371e+01 5.40799e+00  0.00000e+00 0.00000e+00 1.91950e+02 174.686 7.08453e+00 354.686 0.9914 
1 1 1 22 8  26 o 9  9.55154e+01 1.04946e+01 1.18555e+02 322.015 1.48814e+01  -1.16205e+01 0.00000e+00 0.00000e+00 1.25192e+02 322.015 6.63658e+00 322.015 0.9731 
1 1 1 22 8  27 o 17 6.52632e+01 1.13454e+01 3.44914e+01 160.062 -3.64252e+00 1.32132e+00  0.00000e+00 0.00000e+00 1.12103e+02 160.062 7.76114e+01 160.062 0.8585 
1 1 1 22 8  28 o 18 3.77145e+01 1.12553e+01 1.30333e+01 251.864 -2.81875e-01 -8.60558e-01 0.00000e+00 0.00000e+00 2.75164e+01 251.864 1.44831e+01 251.864 0.4119 
1 1 1 22 8  29 o 15 3.82248e+01 1.14738e+01 6.57565e+01 270.736 6.09962e-02  -4.74628e+00 0.00000e+00 0.00000e+00 2.25394e+01 270.736 4.32172e+01 90.736  0.8872 
1 1 1 22 8  30 o 19 9.39707e+01 8.73572e+00 9.38835e+01 142.630 -1.63314e+01 1.24729e+01  0.00000e+00 0.00000e+00 1.44154e+02 142.630 5.02708e+01 142.630 0.9754 
1 1 1 22 8  31 o 5  3.43901e+01 1.08118e+01 5.69020e+01 192.937 -3.92267e+00 -9.01090e-01 0.00000e+00 0.00000e+00 2.01051e+01 192.937 3.67969e+01 12.937  0.8645 
1 1 1 22 8  32 o 14 5.24810e+01 1.11366e+01 3.16715e+01 137.302 -2.45196e+00 2.26247e+00  0.00000e+00 0.00000e+00 8.11340e+01 137.302 4.94625e+01 137.302 0.8321 
1 1 1 22 8  33 o 6  8.38362e+01 1.03508e+01 8.73343e+01 9.056   1.63141e+01  2.60017e+00  0.00000e+00 0.00000e+00 1.21987e+02 9.056   3.46531e+01 9.056   0.9692 
1 1 1 22 8  34 o 4  4.56164e+01 1.15712e+01 4.32059e+01 37.581  3.35835e+00  2.58449e+00  0.00000e+00 0.00000e+00 5.89750e+01 37.581  1.57692e+01 37.581  0.8721 
1 1 1 22 8  35 o 13 3.06058e+01 1.01106e+01 2.53444e+01 226.787 -1.22531e+00 -1.30423e+00 0.00000e+00 0.00000e+00 2.63864e+01 226.787 1.04200e+00 226.787 0.6600 
1 1 1 22 9  0  f 0  5.46203e+01 2.19511e+01 8.62100e+01 180.000 -2.50656e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.96642e+01 180.000 2.65457e+01 0.000   0.9868 
1 1 1 22 9  1  o 16 5.99957e+01 1.26648e+01 7.63878e+01 97.476  -7.17996e-01 5.47156e+00  0.00000e+00 0.00000e+00 7.04197e+01 97.476  5.96802e+00 277.476 0.9042 
1 1 1 22 9  2  o 19 3.90621e+01 1.18151e+01 5.99979e+01 216.288 -2.35321e+00 -1.72784e+00 0.00000e+00 0.00000e+00 2.49698e+01 216.288 3.50281e+01 36.288  0.8038 
1 1 1 22 9  3  o 6  1.27640e+02 7.27859e+00 1.95133e+02 87.734  1.43496e+00  3.62597e+01  0.00000e+00 0.00000e+00 1.45393e+02 87.734  4.97403e+01 267.734 0.9861 
1 1 1 22 9  4  f 0  9.39263e+01 9.14756e+00 1.32530e+02 29.613  1.48458e+01  8.43806e+00  0.00000e+00 0.00000e+00 1.13947e+02 29.613  1.85829e+01 209.613 0.9703 
1 1 1 22 9  5  o 7  8.12553e+01 1.05057e+01 1.09744e+02 251.572 -3.67789e+00 -1.10381e+01 0.00000e+00 0.00000e+00 1.00269e+02 251.572 9.47561e+00 71.572  0.9560 
1 1 1 22 9  6  o 12 4.04615e+01 1.18941e+01 5.80842e+01 104.976 -7.49662e-01 2.80241e+00  0.00000e+00 0.00000e+00 2.96466e+01 104.976 2.84376e+01 284.976 0.8024 
1 1 1 22 9  7  o 4  6.32816e+01 1.21465e+01 1.12756e+02 327.927 7.79717e+00  -4.88597e+00 0.00000e+00 0.00000e+00 4.85783e+01 327.927 6.41777e+01 147.927 0.9440 
1 1 1 22 9  8  o 12 3.73722e+01 1.10591e+01 3.88354e+01 177.655 -1.95047e+00 7.98558e-02  0.00000e+00 0.00000e+00 3.07378e+01 177.655 8.09769e+00 357.655 0.6897 
1 1 1 22 9  9  o 18 4.38807e+01 1.15944e+01 4.50385e+01 305.365 1.50065e+00  -2.11438e+00 0.00000e+00 0.00000e+00 4.66476e+01 305.365 1.60912e+00 305.365 0.7747 
1 1 1 22 9  10 o 11 1.11603e+02 7.34193e+00 1.45411e+02 282.268 5.25310e+00  -2.41581e+01 0.00000e+00 0.00000e+00 1.49190e+02 282.268 3.77885e+00 282.268 0.9796 
1 1 1 22 9  11 o 6  9.78017e+01 8.10562e+00 1.22247e+02 217.016 -1.47792e+01 -1.11436e+01 0.00000e+00 0.00000e+00 1.33856e+02 217.016 1.16091e+01 217.016 0.9726 
1 1 1 22 9  12 o 13 6.15325e+01 1.15697e+01 6.40828e+01 116.849 -2.40404e+00 4.74902e+00  0.00000e+00 0.00000e+00 8.49311e+01 116.849 2.08482e+01 116.849 0.9004 
1 1 1 22 9  13 o 10 6.73753e+01 1.06053e+01 1.03393e+02 206.883 -8.68421e+00 -4.40253e+00 0.00000e+00 0.00000e+00 6.80662e+01 206.883 3.53266e+01 26.883  0.9472 
1 1 1 22 9  14 f 0  4.73062e+01 1.20442e+01 2.27924e+01 113.994 -6.37960e-01 1.43325e+00  0.00000e+00 0.00000e+00 5.49912e+01 113.994 3.21987e+01 113.994 0.6127 
1 1 1 22 9  15 f 0  9.34642e+01 8.22592e+00 9.62899e+01 312.040 1.02694e+01  -1.13892e+01 0.00000e+00 0.00000e+00 1.45913e+02 312.040 4.96227e+01 312.040 0.9668 
1 1 1 22 9  16 o 9  6.12725e+01 1.15788e+01 3.82996e+01 87.561  1.48724e-01  3.49209e+00  0.00000e+00 0.00000e+00 9.96091e+01 87.561  6.13094e+01 87.561  0.8409 
1 1 1 22 9  17 o 13 3.45217e+01 1.10893e+01 3.09942e+01 81.076  2.51342e-01  1.60060e+00  0.00000e+00 0.00000e+00 2.66285e+01 81.076  4.36567e+00 261.076 0.6245 
1 1 1 22 9  18 o 2  7.63431e+01 1.17557e+01 1.01597e+02 208.244 -9.86694e+00 -5.30036e+00 0.00000e+00 0.00000e+00 9.28344e+01 208.244 8.76256e+00 28.244  0.9543 
1 1 1 22 9  19 o 18 6.54981e+01 1.22037e+01 8.86992e+01 260.605 -1.33357e+00 -8.05940e+00 0.00000e+00 0.00000e+00 7.47691e+01 260.605 1.39301e+01 80.605  0.9366 
1 1 1 22 9  20 o 10 3.73097e+01 1.15995e+01 3.92259e+01 116.807 -1.06832e+00 2.11428e+00  0.00000e+00 0.00000e+00 3.52059e+01 116.807 4.02003e+00 296.807 0.7499 
1 1 1 22 9  21 o 16 5.20913e+01 1.23237e+01 6.25858e+01 49.641  3.27389e+00  3.85240e+00  0.00000e+00 0.00000e+00 6.11685e+01 49.641  1.41721e+00 229.641 0.8947 
1 1 1 22 9  22 o 15 6.50640e+01 1.20546e+01 8.70733e+01 5.352   8.78683e+00  8.23117e-01  0.00000e+00 0.00000e+00 7.52948e+01 5.352   1.17785e+01 185.352 0.9415 
1 1 1 22 9  23 o 2  8.86208e+01 9.05721e+00 9.95752e+01 48.251  1.05532e+01  1.18245e+01  0.00000e+00 0.00000e+00 1.27341e+02 48.251  2.77655e+01 48.251  0.9679 
1 1 1 22 9  24 o 16 7.02055e+01 1.10630e+01 3.45986e+01 116.537 -1.76486e+00 3.53403e+00  0.00000e+00 0.00000e+00 1.25091e+02 116.537 9.04923e+01 116.537 0.8616 
1 1 1 22 9  25 o 11 4.80176e+01 1.22346e+01 9.59597e+01 192.155 -7.41459e+00 -1.59701e+00 0.00000e+00 0.00000e+00 2.18794e+01 192.155 7.40802e+01 12.155  0.9315 
1 1 1 22 9  26 o 11 4.19420e+01 1.18603e+01 3.53049e+01 96.522  -3.00353e-01 2.62712e+00  0.00000e+00 0.00000e+00 5.06712e+01 96.522  1.53662e+01 96.522  0.7798 
1 1 1 22 9  27 o 5  3.56077e+01 1.10438e+01 2.72472e+01 149.274 -1.61786e+00 9.61616e-01  0.00000e+00 0.00000e+00 3.60156e+01 149.274 8.76840e+00 149.274 0.6774 
1 1 1 22 9  28 o 5  3.91591e+01 1.15756e+01 5.60382e+01 202.472 -4.03267e+00 -1.66811e+00 0.00000e+00 0.00000e+00 3.37348e+01 202.472 2.23034e+01 22.472  0.8762 
1 1 1 22 9  29 o 14 5.18597e+01 1.26344e+01 8.58482e+01 321.284 6.43162e+00  -5.15563e+00 0.00000e+00 0.00000e+00 4.10095e+01 321.284 4.48387e+01 141.284 0.9372 
1 1 1 22 9  30 o 11 8.59844e+01 1.03764e+01 1.05751e+02 247.636 -7.28638e+00 -1.77095e+01 0.00000e+00 0.00000e+00 1.12175e+02 247.636 6.42452e+00 247.636 0.9735 
1 1 1 22 9  31 o 18 5.64012e+01 1.26463e+01 4.13470e+01 164.372 -4.40723e+00 1.23286e+00  0.00000e+00 0.00000e+00 8.78988e+01 164.372 4.65518e+01 164.372 0.8825 
1 1 1 22 9  32 o 10 3.67809e+01 1.12542e+01 2.80981e+01 111.846 -8.47555e-01 2.11409e+00  0.00000e+00 0.00000e+00 4.22386e+01 111.846 1.41404e+01 111.846 0.7385 
1 1 1 22 9  33 o 2  3.85305e+01 1.17485e+01 2.71200e+01 19.021  2.07090e+00  7.13927e-01  0.00000e+00 0.00000e+00 4.51839e+01 19.021  1.80639e+01 19.021  0.7267 
1 1 1 22 9  34 o 17 4.88450e+01 1.28469e+01 1.01127e+02 105.019 -2.70287e+00 1.00737e+01  0.00000e+00 0.00000e+00 1.84487e+01 105.019 8.26786e+01 285.019 0.9508 
1 1 1 22 10 0  o 3  4.38461e+01 2.20030e+01 7.92919e+01 0.000   1.97078e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.51636e+01 0.000   4.41284e+01 180.000 0.9619 
1 1 1 22 10 1  o 18 5.81711e+01 1.24876e+01 8.21463e+01 214.866 -5.12306e+00 -3.56937e+00 0.00000e+00 0.00000e+00 6.24485e+01 214.866 1.96978e+01 34.866  0.9160 
1 1 1 22 10 2  o 15 5.13802e+01 1.32172e+01 7.39510e+01 15.566  4.62645e+00  1.28878e+00  0.00000e+00 0.00000e+00 4.99281e+01 15.566  2.40229e+01 195.566 0.8886 
1 1 1 22 10 3  o 15 1.36025e+02 7.12235e+00 1.77015e+02 93.725  -2.50859e+00 3.85260e+01  0.00000e+00 0.00000e+00 1.87173e+02 93.725  1.01580e+01 93.725  0.9870 
1 1 1 22 10 4  f 0  3.96893e+01 1.18200e+01 6.03861e+01 105.826 -8.76958e-01 3.09380e+00  0.00000e+00 0.00000e+00 2.83844e+01 105.826 3.20016e+01 285.826 0.8247 
1 1 1 22 10 5  o 14 3.85287e+01 1.16404e+01 7.15830e+01 164.195 -3.58223e+00 1.01400e+00  0.00000e+00 0.00000e+00 1.73998e+01 164.195 5.41831e+01 344.195 0.8520 
1 1 1 22 10 6  o 14 4.72378e+01 1.18932e+01 1.18379e+02 66.027  3.02801e+00  6.80960e+00  0.00000e+00 0.00000e+00 6.89229e-01 66.027  1.17689e+02 246.027 0.9303 
1 1 1 22 10 7  o 15 5.04547e+01 1.22574e+01 8.26001e+01 251.484 -1.73234e+00 -5.17251e+00 0.00000e+00 0.00000e+00 4.07748e+01 251.484 4.18253e+01 71.484  0.9030 
1 1 1 22 10 8  o 14 3.90905e+01 1.12803e+01 3.59466e+01 252.083 -6.54959e-01 -2.02574e+00 0.00000e+00 0.00000e+00 3.99958e+01 252.083 4.04916e+00 252.083 0.7179 
1 1 1 22 10 9  o 18 7.13872e+01 1.09228e+01 6.32727e+01 341.055 6.56033e+00  -2.25186e+00 0.00000e+00 0.00000e+00 1.15265e+02 341.055 5.19921e+01 341.055 0.9248 
1 1 1 22 10 10 o 8  1.13077e+02 7.39319e+00 1.15607e+02 243.689 -1.02363e+01 -2.07021e+01 0.00000e+00 0.00000e+00 1.83248e+02 243.689 6.76402e+01 243.689 0.9781 
1 1 1 22 10 11 o 10 3.62583e+01 1.10145e+01 3.98323e+01 231.302 -1.38798e+00 -1.73261e+00 0.00000e+00 0.00000e+00 3.17007e+01 231.302 8.13159e+00 51.302  0.7308 
1 1 1 22 10 12 o 18 3.75423e+01 1.14546e+01 2.78670e+01 166.422 -1.52571e+00 3.68492e-01  0.00000e+00 0.00000e+00 3.41861e+01 166.422 6.31905e+00 166.422 0.6129 
1 1 1 22 10 13 o 18 4.21972e+01 1.20340e+01 8.83682e+01 29.006  4.74180e+00  2.62903e+00  0.00000e+00 0.00000e+00 1.42098e+01 29.006  7.41585e+01 209.006 0.9023 
1 1 1 22 10 14 o 18 7.23427e+01 1.13087e+01 8.95833e+01 52.377  5.85503e+00  7.59666e+00  0.00000e+00 0.00000e+00 9.46393e+01 52.377  5.05596e+00 52.377  0.9463 
1 1 1 22 10 15 f 0  4.82774e+01 1.27189e+01 5.89570e+01 208.450 -3.45347e+00 -1.87116e+00 0.00000e+00 0.00000e+00 5.27161e+01 208.450 6.24094e+00 28.450  0.8607 
1 1 1 22 10 16 o 17 4.72700e+01 1.26943e+01 1.07523e+02 82.403  1.03441e+00  7.75561e+00  0.00000e+00 0.00000e+00 1.09394e+01 82.403  9.65831e+01 262.403 0.9337 
1 1 1 22 10 17 o 1  4.32433e+01 1.23052e+01 3.34869e+01 246.892 -8.88386e-01 -2.08200e+00 0.00000e+00 0.00000e+00 5.18893e+01 246.892 1.84025e+01 246.892 0.7366 
1 1 1 22 10 18 o 4  1.14999e+02 7.19490e+00 1.40137e+02 215.550 -2.56446e+01 -1.83260e+01 0.00000e+00 0.00000e+00 1.62690e+02 215.550 2.25533e+01 215.550 0.9840 
1 1 1 22 10 19 o 12 6.39037e+01 1.14694e+01 7.54650e+01 292.936 3.02283e+00  -7.14355e+00 0.00000e+00 0.00000e+00 8.38560e+01 292.936 8.39106e+00 292.936 0.9331 
1 1 1 22 10 20 o 14 5.03039e+01 1.22752e+01 6.73764e+01 345.318 5.08142e+00  -1.33138e+00 0.00000e+00 0.00000e+00 5.32412e+01 345.318 1.41352e+01 165.318 0.8989 
1 1 1 22 10 21 o 12 6.08673e+01 1.18032e+01 3.89538e+01 72.428  1.12883e+00  3.56459e+00  0.00000e+00 0.00000e+00 9.92380e+01 72.428  6.02843e+01 72.428  0.8527 
1 1 1 22 10 22 o 1  9.00384e+01 9.52393e+00 1.10690e+02 47.416  1.28192e+01  1.39488e+01  0.00000e+00 0.00000e+00 1.22201e+02 47.416  1.15113e+01 47.416  0.9732 
1 1 1 22 10 23 o 16 4.18942e+01 1.18759e+01 5.62858e+01 80.410  7.04928e-01  4.17243e+00  0.00000e+00 0.00000e+00 4.06020e+01 80.410  1.56838e+01 260.410 0.8719 
1 1 1 22 10 24 o 7  1.27274e+02 6.89483e+00 1.45431e+02 161.766 -4.02114e+01 1.32471e+01  0.00000e+00 0.00000e+00 1.87483e+02 161.766 4.20519e+01 161.766 0.9881 
1 1 1 22 10 25 o 1  4.94437e+01 1.22177e+01 5.95450e+01 284.519 1.33820e+00  -5.16724e+00 0.00000e+00 0.00000e+00 5.80908e+01 284.519 1.45418e+00 104.519 0.9007 
1 1 1 22 10 26 o 11 8.83047e+01 9.24136e+00 1.09275e+02 270.090 3.47060e-02  -2.19946e+01 0.00000e+00 0.00000e+00 1.18123e+02 270.090 8.84767e+00 270.090 0.9770 
1 1 1 22 10 27 o 1  4.00506e+01 1.13869e+01 6.23705e+01 338.799 4.66640e+00  -1.81010e+00 0.00000e+00 0.00000e+00 3.17363e+01 338.799 3.06341e+01 158.799 0.8935 
1 1 1 22 10 28 o 19 2.83518e+01 9.55878e+00 5.33374e+01 267.442 -1.49125e-01 -3.33845e+00 0.00000e+00 0.00000e+00 8.57729e+00 267.442 4.47601e+01 87.442  0.8324 
1 1 1 22 10 29 o 19 5.33864e+01 1.25310e+01 2.98631e+01 216.227 -2.54504e+00 -1.86455e+00 0.00000e+00 0.00000e+00 8.48190e+01 216.227 5.49559e+01 216.227 0.8208 
1 1 1 22 10 30 o 4  3.52848e+01 1.08437e+01 7.62069e+01 105.429 -1.62225e+00 5.87802e+00  0.00000e+00 0.00000e+00 7.96678e+00 105.429 6.82401e+01 285.429 0.9139 
1 1 1 22 10 31 o 19 7.07437e+01 1.17961e+01 1.00245e+02 243.108 -6.71925e+00 -1.32491e+01 0.00000e+00 0.00000e+00 7.76300e+01 243.108 2.26149e+01 63.108  0.9657 
1 1 1 22 10 32 o 8  6.57334e+01 1.22324e+01 9.04614e+01 307.333 7.96246e+00  -1.04397e+01 0.00000e+00 0.00000e+00 7.35816e+01 307.333 1.68798e+01 127.333 0.9611 
1 1 1 22 11 0  o 1  2.46401e+01 1.68235e+01 1.04077e+01 180.000 -1.89352e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.14210e+00 180.000 8.26556e+00 0.000   0.1871 
1 1 1 22 11 1  o 19 4.02239e+01 1.19156e+01 5.62099e+01 120.177 -1.67652e+00 2.88320e+00  0.00000e+00 0.00000e+00 3.48787e+01 120.177 2.13312e+01 300.177 0.8320 
1 1 1 22 11 2  o 17 3.88020e+01 1.18097e+01 5.59630e+01 17.782  3.06405e+00  9.82700e-01  0.00000e+00 0.00000e+00 3.11413e+01 17.782  2.48216e+01 197.782 0.8249 
1 1 1 22 11 3  o 2  5.55666e+01 1.26676e+01 7.35160e+01 152.061 -5.12651e+00 2.71884e+00  0.00000e+00 0.00000e+00 6.39407e+01 152.061 9.57533e+00 332.061 0.9092 
1 1 1 22 11 4  o 14 7.24103e+01 1.12667e+01 1.01784e+02 255.439 -2.81103e+00 -1.08222e+01 0.00000e+00 0.00000e+00 8.61478e+01 255.439 1.56361e+01 75.439  0.9542 
1 1 1 22 11 5  o 11 1.20057e+02 7.59191e+00 1.43619e+02 273.059 1.62559e+00  -3.04223e+01 0.00000e+00 0.00000e+00 1.77409e+02 273.059 3.37902e+01 273.059 0.9834 
1 1 1 22 11 6  o 1  6.29192e+01 1.24331e+01 7.40354e+01 49.521  4.32618e+00  5.06908e+00  0.00000e+00 0.00000e+00 8.35483e+01 49.521  9.51289e+00 49.521  0.9216 
1 1 1 22 11 7  o 17 4.82002e+01 1.33992e+01 3.24861e+01 303.081 1.15200e+00  -1.76846e+00 0.00000e+00 0.00000e+00 6.11367e+01 303.081 2.86506e+01 303.081 0.7151 
1 1 1 22 11 8  o 13 7.64672e+01 1.25015e+01 7.23712e+01 66.032  3.15718e+00  7.10184e+00  0.00000e+00 0.00000e+00 1.21336e+02 66.032  4.89651e+01 66.032  0.9333 
1 1 1 22 11 9  o 18 3.08907e+01 1.02363e+01 2.25322e+01 344.502 1.04125e+00  -2.88718e-01 0.00000e+00 0.00000e+00 1.72000e+01 344.502 5.33219e+00 164.502 0.4742 
1 1 1 22 11 10 o 4  4.02419e+01 1.21082e+01 4.44222e+01 285.728 6.89210e-01  -2.44736e+00 0.00000e+00 0.00000e+00 3.95065e+01 285.728 4.91569e+00 105.728 0.7695 
1 1 1 22 11 11 o 10 9.74926e+01 1.02867e+01 1.51192e+02 62.096  1.20370e+01  2.27299e+01  0.00000e+00 0.00000e+00 1.07607e+02 62.096  4.35855e+01 242.096 0.9804 
1 1 1 22 11 12 o 18 5.81266e+01 1.28544e+01 6.38832e+01 198.153 -5.38118e+00 -1.76431e+00 0.00000e+00 0.00000e+00 7.86941e+01 198.153 1.48110e+01 198.153 0.9068 
1 1 1 22 11 13 f 0  4.78917e+01 1.23971e+01 6.15641e+01 57.329  2.47725e+00  3.86300e+00  0.00000e+00 0.00000e+00 5.26900e+01 57.329  8.87405e+00 237.329 0.8829 
1 1 1 22 11 14 o 8  5.67309e+01 1.23974e+01 6.44912e+01 39.122  4.38979e+00  3.57024e+00  0.00000e+00 0.00000e+00 7.43384e+01 39.122  9.84723e+00 39.122  0.9067 
1 1 1 22 11 15 o 7  6.50104e+01 1.17838e+01 7.66827e+01 39.397  6.12065e+00  5.02693e+00  0.00000e+00 0.00000e+00 8.70907e+01 39.397  1.04080e+01 39.397  0.9346 
1 1 1 22 11 16 o 5  4.78816e+01 1.22801e+01 5.32851e+01 255.600 -9.87256e-01 -3.84514e+00 0.00000e+00 0.00000e+00 5.78697e+01 255.600 4.58459e+00 255.600 0.8624 
1 1 1 22 11 17 o 5  4.55342e+01 1.21720e+01 8.78780e+01 223.843 -4.49298e+00 -4.31505e+00 0.00000e+00 0.00000e+00 2.42172e+01 223.843 6.36608e+01 43.843  0.9158 
1 1 1 22 11 18 o 14 3.47468e+01 1.08627e+01 1.64118e+01 198.580 -9.68224e-01 -3.25465e-01 0.00000e+00 0.00000e+00 2.59249e+01 198.580 9.51305e+00 198.580 0.4539 
1 1 1 22 11 19 o 16 4.59732e+01 1.22357e+01 4.02297e+01 271.698 9.07430e-02  -3.06087e+00 0.00000e+00 0.00000e+00 6.01147e+01 271.698 1.98850e+01 271.698 0.8145 
1 1 1 22 11 20 o 7  8.86728e+01 8.94433e+00 8.50513e+01 116.172 -7.00703e+00 1.42579e+01  0.00000e+00 0.00000e+00 1.44585e+02 116.172 5.95340e+01 116.172 0.9680 
1 1 1 22 11 21 o 1  4.24811e+01 1.19481e+01 3.22501e+01 315.747 1.74655e+00  -1.70157e+00 0.00000e+00 0.00000e+00 5.37592e+01 315.747 2.15091e+01 315.747 0.7581 
1 1 1 22 11 22 o 17 3.18010e+01 1.03225e+01 3.04712e+01 275.070 1.73676e-01  -1.95761e+00 0.00000e+00 0.00000e+00 2.81893e+01 275.070 2.28189e+00 95.070  0.6920 
1 1 1 22 11 23 o 15 6.16341e+01 1.20800e+01 8.19222e+01 223.936 -7.03633e+00 -6.77964e+00 0.00000e+00 0.00000e+00 7.34219e+01 223.936 8.50034e+00 43.936  0.9474 
1 1 1 22 11 24 o 3  5.44580e+01 1.25605e+01 3.32612e+01 311.369 2.23544e+00  -2.53840e+00 0.00000e+00 0.00000e+00 8.74313e+01 311.369 5.41701e+01 311.369 0.8347 
1 1 1 22 11 25 o 9  3.56260e+01 1.06288e+01 4.05783e+01 171.229 -2.98999e+00 4.61332e-01  0.00000e+00 0.00000e+00 3.60520e+01 171.229 4.52634e+00 351.229 0.8118 
1 1 1 22 11 26 f 0  5.50879e+01 1.18767e+01 1.84666e+01 333.499 1.88922e+00  -9.41963e-01 0.00000e+00 0.00000e+00 8.56893e+01 333.499 6.72227e+01 333.499 0.7152 
1 1 1 22 11 27 o 12 4.74178e+01 1.17557e+01 2.97108e+01 187.271 -3.00422e+00 -3.83311e-01 0.00000e+00 0.00000e+00 7.18559e+01 187.271 4.21451e+01 187.271 0.8121 
1 1 1 22 11 28 o 1  5.06542e+01 1.22995e+01 9.48214e+01 188.191 -9.79511e+00 -1.40989e+00 0.00000e+00 0.00000e+00 3.15433e+01 188.191 6.32780e+01 8.191   0.9480 
1 1 1 22 11 29 o 4  3.62894e+01 1.12333e+01 1.52245e+01 341.917 1.14079e+00  -3.72497e-01 0.00000e+00 0.00000e+00 3.36232e+01 341.917 1.83988e+01 341.917 0.5128 
1 1 1 22 11 30 o 12 4.77048e+01 1.21923e+01 5.51736e+01 355.970 5.81226e+00  -4.09527e-01 0.00000e+00 0.00000e+00 5.84352e+01 355.970 3.26166e+00 355.970 0.9096 
1 1 1 22 12 0  o 4  2.79042e+01 1.84081e+01 1.78774e+01 0.000   3.77844e-01  0.00000e+00  0.00000e+00 0.00000e+00 9.61839e+00 0.000   8.25905e+00 180.000 0.3608 
1 1 1 22 12 1  o 7  6.25160e+01 1.31282e+01 1.29478e+02 283.229 2.78873e+00  -1.18631e+01 0.00000e+00 0.00000e+00 3.40717e+01 283.229 9.54065e+01 103.229 0.9580 
1 1 1 22 12 2  o 14 4.63764e+01 1.27972e+01 5.04304e+01 73.339  1.02721e+00  3.43240e+00  0.00000e+00 0.00000e+00 5.66058e+01 73.339  6.17531e+00 73.339  0.8453 
1 1 1 22 12 3  o 2  5.32453e+01 1.33925e+01 6.75760e+01 139.028 -4.02752e+00 3.49762e+00  0.00000e+00 0.00000e+00 6.33221e+01 139.028 4.25392e+00 319.028 0.9006 
1 1 1 22 12 4  o 11 5.58642e+01 1.36054e+01 1.04268e+02 296.820 3.84778e+00  -7.61063e+00 0.00000e+00 0.00000e+00 3.89422e+01 296.820 6.53256e+01 116.820 0.9394 
1 1 1 22 12 5  o 16 4.53823e+01 1.30716e+01 4.52294e+01 23.992  2.82236e+00  1.25610e+00  0.00000e+00 0.00000e+00 5.58349e+01 23.992  1.06055e+01 23.992  0.8164 
1 1 1 22 12 6  o 7  4.96479e+01 1.38935e+01 3.92064e+01 239.605 -1.41265e+00 -2.40829e+00 0.00000e+00 0.00000e+00 6.81882e+01 239.605 2.89818e+01 239.605 0.7934 
1 1 1 22 12 7  o 12 2.97350e+01 1.01452e+01 2.57986e+01 34.934  1.09256e+00  7.63141e-01  0.00000e+00 0.00000e+00 1.89270e+01 34.934  6.87151e+00 214.934 0.5520 
1 1 1 22 12 8  o 4  3.31464e+01 1.06537e+01 4.46168e+01 343.232 2.39392e+00  -7.21295e-01 0.00000e+00 0.00000e+00 2.44393e+01 343.232 2.01775e+01 163.232 0.7650 
1 1 1 22 12 9  o 3  9.76362e+01 8.99918e+00 1.46513e+02 148.034 -2.21079e+01 1.37965e+01  0.00000e+00 0.00000e+00 1.14033e+02 148.034 3.24795e+01 328.034 0.9806 
1 1 1 22 12 10 o 8  8.53635e+01 1.02867e+01 1.13824e+02 5.734   1.67028e+01  1.67726e+00  0.00000e+00 0.00000e+00 1.11260e+02 5.734   2.56435e+00 185.734 0.9697 
1 1 1 22 12 11 o 4  4.66385e+01 1.21355e+01 7.72986e+01 60.781  2.76181e+00  4.93790e+00  0.00000e+00 0.00000e+00 3.75768e+01 60.781  3.97218e+01 240.781 0.9067 
1 1 1 22 12 12 o 19 3.91406e+01 1.18524e+01 5.68639e+01 235.671 -1.99169e+00 -2.91658e+00 0.00000e+00 0.00000e+00 3.26553e+01 235.671 2.42086e+01 55.671  0.8427 
1 1 1 22 12 13 o 10 2.69722e+01 9.27939e+00 2.91451e+01 341.939 1.45852e+00  -4.75622e-01 0.00000e+00 0.00000e+00 1.50530e+01 341.939 1.40921e+01 161.939 0.6045 
1 1 1 22 12 14 o 19 5.89286e+01 1.28305e+01 5.73164e+01 179.212 -5.43777e+00 7.47752e-02  0.00000e+00 0.00000e+00 8.67160e+01 179.212 2.93996e+01 179.212 0.9026 
1 1 1 22 12 15 o 12 5.56914e+01 1.28605e+01 8.02817e+01 251.533 -2.26774e+00 -6.79041e+00 0.00000e+00 0.00000e+00 5.93771e+01 251.533 2.09045e+01 71.533  0.9273 
1 1 1 22 12 16 o 6  7.74917e+01 1.08815e+01 1.02545e+02 196.066 -1.45543e+01 -4.19143e+00 0.00000e+00 0.00000e+00 9.97139e+01 196.066 2.83097e+00 16.066  0.9664 
1 1 1 22 12 17 o 15 3.31527e+01 1.07022e+01 6.65463e+01 315.833 3.03151e+00  -2.94465e+00 0.00000e+00 0.00000e+00 1.13930e+01 315.833 5.51533e+01 135.833 0.8717 
1 1 1 22 12 18 o 16 5.27004e+01 1.12881e+01 1.03337e+02 78.324  2.12550e+00  1.02856e+01  0.00000e+00 0.00000e+00 3.16443e+01 78.324  7.16932e+01 258.324 0.9511 
1 1 1 22 12 19 o 2  4.77357e+01 1.17750e+01 2.89292e+01 146.389 -2.14456e+00 1.42541e+00  0.00000e+00 0.00000e+00 7.02693e+01 146.389 4.13401e+01 146.389 0.7729 
1 1 1 22 12 20 o 3  8.44141e+01 1.02575e+01 1.15563e+02 58.692  1.09643e+01  1.80276e+01  0.00000e+00 0.00000e+00 1.05576e+02 58.692  9.98620e+00 238.692 0.9760 
1 1 1 22 12 21 o 14 4.53584e+01 1.14704e+01 5.11150e+01 185.801 -4.62352e+00 -4.69688e-01 0.00000e+00 0.00000e+00 5.63797e+01 185.801 5.26469e+00 185.801 0.8845 
1 1 1 22 12 22 o 10 4.82464e+01 1.27147e+01 1.91449e+01 216.608 -1.36820e+00 -1.01643e+00 0.00000e+00 0.00000e+00 6.37901e+01 216.608 4.46452e+01 216.608 0.6428 
1 1 1 22 12 23 o 16 3.72702e+01 1.14586e+01 6.79354e+01 71.464  1.71959e+00  5.12859e+00  0.00000e+00 0.00000e+00 2.18046e+01 71.464  4.61308e+01 251.464 0.9021 
1 1 1 22 12 24 o 4  3.04663e+01 1.01101e+01 3.18338e+01 237.034 -1.26795e+00 -1.95504e+00 0.00000e+00 0.00000e+00 2.86432e+01 237.034 3.19058e+00 57.034  0.7452 
1 1 1 22 12 25 o 19 3.11956e+01 1.02108e+01 9.82172e+00 239.226 -3.71807e-01 -6.24348e-01 0.00000e+00 0.00000e+00 1.84789e+01 239.226 8.65715e+00 239.226 0.3413 
1 1 1 22 12 26 o 1  3.83525e+01 1.11342e+01 3.33156e+01 301.789 1.47788e+00  -2.38462e+00 0.00000e+00 0.00000e+00 4.75039e+01 301.789 1.41883e+01 301.789 0.7945 
1 1 1 22 12 27 o 2  4.01969e+01 1.17514e+01 1.64554e+01 95.115  -1.35177e-01 1.51013e+00  0.00000e+00 0.00000e+00 4.73786e+01 95.115  3.09232e+01 95.115  0.6001 
1 1 1 22 13 0  o 6  2.98481e+01 1.99098e+01 1.90541e+01 0.000   4.01272e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.21145e+01 0.000   6.93965e+00 180.000 0.3810 
1 1 1 22 13 1  o 2  4.28668e+01 1.26857e+01 3.51590e+01 61.124  1.10665e+00  2.00670e+00  0.00000e+00 0.00000e+00 5.18057e+01 61.124  1.66467e+01 61.124  0.7403 
1 1 1 22 13 2  o 5  4.32049e+01 1.27897e+01 3.38329e+01 8.333   2.34948e+00  3.44143e-01  0.00000e+00 0.00000e+00 5.50298e+01 8.333   2.11969e+01 8.333   0.7506 
1 1 1 22 13 3  o 6  4.86771e+01 1.31891e+01 9.47849e+01 263.162 -8.71712e-01 -7.26907e+00 0.00000e+00 0.00000e+00 2.90900e+01 263.162 6.56949e+01 83.162  0.9290 
1 1 1 22 13 4  o 14 4.12861e+01 1.24709e+01 6.34222e+01 331.453 3.79846e+00  -2.06645e+00 0.00000e+00 0.00000e+00 3.55035e+01 331.453 2.79187e+01 151.453 0.8749 
1 1 1 22 13 5  o 9  7.50748e+01 1.25772e+01 5.49218e+01 156.345 -6.19223e+00 2.71242e+00  0.00000e+00 0.00000e+00 1.34725e+02 156.345 7.98028e+01 156.345 0.9228 
1 1 1 22 13 6  o 17 4.93378e+01 1.28440e+01 6.05501e+01 219.470 -3.71898e+00 -3.06239e+00 0.00000e+00 0.00000e+00 5.94629e+01 219.470 1.08714e+00 39.470  0.8890 
1 1 1 22 13 7  o 5  7.27693e+01 1.14758e+01 8.65900e+01 147.535 -9.23506e+00 5.87551e+00  0.00000e+00 0.00000e+00 1.03094e+02 147.535 1.65044e+01 147.535 0.9532 
1 1 1 22 13 8  o 10 3.37140e+01 1.09191e+01 2.57225e+01 201.126 -1.44478e+00 -5.58259e-01 0.00000e+00 0.00000e+00 3.02971e+01 201.126 4.57453e+00 201.126 0.6080 
1 1 1 22 13 9  o 3  4.70930e+01 1.24913e+01 1.96599e+01 70.345  5.43385e-01  1.52139e+00  0.00000e+00 0.00000e+00 6.05178e+01 70.345  4.08578e+01 70.345  0.6234 
1 1 1 22 13 10 o 3  7.88323e+01 1.16197e+01 1.22340e+02 342.105 1.68139e+01  -5.42916e+00 0.00000e+00 0.00000e+00 8.65928e+01 342.105 3.57473e+01 162.105 0.9713 
1 1 1 22 13 11 o 15 1.04920e+02 9.68717e+00 1.41846e+02 236.091 -1.68986e+01 -2.51391e+01 0.00000e+00 0.00000e+00 1.39431e+02 236.091 2.41448e+00 56.091  0.9834 
1 1 1 22 13 12 o 9  4.29782e+01 1.18292e+01 3.55865e+01 21.902  2.66422e+00  1.07113e+00  0.00000e+00 0.00000e+00 5.80581e+01 21.902  2.24716e+01 21.902  0.8000 
1 1 1 22 13 13 o 16 5.05673e+01 1.25308e+01 7.28830e+01 338.613 6.15401e+00  -2.41016e+00 0.00000e+00 0.00000e+00 5.38079e+01 338.613 1.90751e+01 158.613 0.9209 
1 1 1 22 13 14 o 15 5.42699e+01 1.24253e+01 1.28471e+02 162.759 -1.19777e+01 3.71702e+00  0.00000e+00 0.00000e+00 1.29972e+01 162.759 1.15474e+02 342.759 0.9593 
1 1 1 22 13 15 o 12 3.43898e+01 1.08109e+01 3.55254e+01 62.033  1.20470e+00  2.26885e+00  0.00000e+00 0.00000e+00 3.65563e+01 62.033  1.03094e+00 62.033  0.7723 
1 1 1 22 13 16 o 13 3.47568e+01 1.09269e+01 2.98621e+01 182.103 -2.15629e+00 -7.91927e-02 0.00000e+00 0.00000e+00 3.81592e+01 182.103 8.29705e+00 182.103 0.7220 
1 1 1 22 13 17 o 15 4.33005e+01 1.22147e+01 1.45822e+01 139.723 -9.22795e-01 7.81946e-01  0.00000e+00 0.00000e+00 4.58589e+01 139.723 3.12767e+01 139.723 0.5157 
1 1 1 22 13 18 o 15 3.68464e+01 1.15065e+01 2.86865e+01 302.341 1.12742e+00  -1.78058e+00 0.00000e+00 0.00000e+00 4.24771e+01 302.341 1.37905e+01 302.341 0.7147 
1 1 1 22 13 19 o 8  3.59546e+01 1.12421e+01 5.28811e+01 337.648 3.82237e+00  -1.57169e+00 0.00000e+00 0.00000e+00 3.13682e+01 337.648 2.15129e+01 157.648 0.8684 
1 1 1 22 13 20 o 8  7.93639e+01 1.12987e+01 8.41529e+01 286.059 3.98200e+00  -1.38327e+01 0.00000e+00 0.00000e+00 1.22060e+02 286.059 3.79075e+01 286.059 0.9646 
1 1 1 22 13 21 o 15 3.79417e+01 1.16477e+01 3.54262e+01 208.261 -2.56644e+00 -1.37963e+00 0.00000e+00 0.00000e+00 4.65375e+01 208.261 1.11113e+01 208.261 0.8034 
1 1 1 22 13 22 o 4  4.81462e+01 1.25615e+01 3.75650e+01 16.949  3.47391e+00  1.05873e+00  0.00000e+00 0.00000e+00 7.19738e+01 16.949  3.44088e+01 16.949  0.8477 
1 1 1 22 13 23 f 0  3.43083e+01 1.10344e+01 2.24055e+01 4.153   1.69565e+00  1.23111e-01  0.00000e+00 0.00000e+00 3.65817e+01 4.153   1.41762e+01 4.153   0.6419 
1 1 1 22 13 24 o 16 3.65314e+01 1.13380e+01 4.61654e+01 186.861 -3.95538e+00 -4.75920e-01 0.00000e+00 0.00000e+00 3.81040e+01 186.861 8.06140e+00 6.861   0.8629 
1 1 1 22 14 0  o 13 1.66269e+01 1.22174e+01 4.82962e+01 180.000 -9.05405e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.54115e+01 0.000   6.37077e+01 0.000   0.7189 
1 1 1 22 14 1  o 14 4.54199e+01 1.24128e+01 4.90917e+01 231.369 -2.51814e+00 -3.15090e+00 0.00000e+00 0.00000e+00 5.89630e+01 231.369 9.87129e+00 231.369 0.8648 
1 1 1 22 14 2  o 11 3.12252e+01 1.03487e+01 4.10701e+01 185.888 -2.61193e+00 -2.69348e-01 0.00000e+00 0.00000e+00 2.57516e+01 185.888 1.53185e+01 5.888   0.7780 
1 1 1 22 14 3  o 9  3.72324e+01 1.17711e+01 5.67711e+01 235.481 -2.25142e+00 -3.27356e+00 0.00000e+00 0.00000e+00 3.15371e+01 235.481 2.52341e+01 55.481  0.8625 
1 1 1 22 14 4  o 4  3.28586e+01 1.07107e+01 4.40468e+01 107.449 -8.68436e-01 2.76291e+00  0.00000e+00 0.00000e+00 2.84014e+01 107.449 1.56454e+01 287.449 0.8020 
1 1 1 22 14 5  f 0  2.77887e+01 9.50114e+00 1.97574e+01 103.323 -2.71051e-01 1.14455e+00  0.00000e+00 0.00000e+00 1.88343e+01 103.323 9.23124e-01 283.323 0.5054 
1 1 1 22 14 6  o 12 1.32314e+02 7.13450e+00 1.59556e+02 329.487 4.75526e+01  -2.80248e+01 0.00000e+00 0.00000e+00 2.00576e+02 329.487 4.10204e+01 329.487 0.9909 
1 1 1 22 14 7  o 5  7.20299e+01 1.26463e+01 1.07036e+02 107.550 -4.36148e+00 1.37912e+01  0.00000e+00 0.00000e+00 8.37413e+01 107.550 2.32949e+01 287.550 0.9648 
1 1 1 22 14 8  o 6  3.90579e+01 1.20282e+01 5.60452e+01 324.074 3.45524e+00  -2.50360e+00 0.00000e+00 0.00000e+00 3.75066e+01 324.074 1.85386e+01 144.074 0.8731 
1 1 1 22 14 9  o 16 6.63895e+01 1.29138e+01 7.23047e+01 180.532 -8.81781e+00 -8.18448e-02 0.00000e+00 0.00000e+00 9.90466e+01 180.532 2.67419e+01 180.532 0.9415 
1 1 1 22 14 10 o 8  7.05990e+01 1.29483e+01 8.70030e+01 190.470 -1.10766e+01 -2.04692e+00 0.00000e+00 0.00000e+00 9.75889e+01 190.470 1.05859e+01 190.470 0.9545 
1 1 1 22 14 11 o 5  4.28789e+01 1.25602e+01 1.22630e+02 252.113 -3.02985e+00 -9.38789e+00 0.00000e+00 0.00000e+00 1.13987e+01 72.113  1.34029e+02 72.113  0.9479 
1 1 1 22 14 12 o 19 7.67708e+01 1.20435e+01 9.63498e+01 32.835  1.20196e+01  7.75654e+00  0.00000e+00 0.00000e+00 1.06069e+02 32.835  9.71917e+00 32.835  0.9644 
1 1 1 22 14 13 o 18 5.11475e+01 1.33439e+01 3.46484e+01 2.564   3.34996e+00  1.49990e-01  0.00000e+00 0.00000e+00 8.17200e+01 2.564   4.70716e+01 2.564   0.8331 
1 1 1 22 14 14 o 2  4.59924e+01 1.26933e+01 6.36219e+01 237.831 -3.07401e+00 -4.88729e+00 0.00000e+00 0.00000e+00 5.03851e+01 237.831 1.32368e+01 57.831  0.9087 
1 1 1 22 14 15 o 4  7.65346e+01 1.16666e+01 8.18660e+01 45.104  9.32408e+00  9.35792e+00  0.00000e+00 0.00000e+00 1.18597e+02 45.104  3.67312e+01 45.104  0.9614 
1 1 1 22 14 16 o 19 4.32626e+01 1.20613e+01 8.47315e+01 216.502 -6.22706e+00 -4.60812e+00 0.00000e+00 0.00000e+00 2.50961e+01 216.502 5.96353e+01 36.502  0.9330 
1 1 1 22 14 17 o 17 3.20933e+01 1.05702e+01 1.70425e+01 144.212 -1.03410e+00 7.45477e-01  0.00000e+00 0.00000e+00 2.96373e+01 144.212 1.25948e+01 144.212 0.5353 
1 1 1 22 14 18 o 14 7.88790e+01 1.10547e+01 6.15809e+01 331.791 9.51528e+00  -5.10404e+00 0.00000e+00 0.00000e+00 1.42245e+02 331.791 8.06641e+01 331.791 0.9525 
1 1 1 22 14 19 o 9  7.38964e+01 1.16792e+01 8.24630e+01 165.505 -1.25233e+01 3.23765e+00  0.00000e+00 0.00000e+00 1.09790e+02 165.505 2.73269e+01 165.505 0.9605 
1 1 1 22 14 20 o 16 4.45449e+01 1.13601e+01 7.05374e+01 326.522 6.19278e+00  -4.09545e+00 0.00000e+00 0.00000e+00 4.14793e+01 326.522 2.90580e+01 146.522 0.9300 
1 1 1 22 15 0  o 2  3.46243e+01 2.03697e+01 3.91115e+01 0.000   1.18839e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.02831e+01 0.000   1.17161e+00 0.000   0.8301 
1 1 1 22 15 1  o 10 4.34407e+01 1.19744e+01 2.63315e+01 337.693 2.19868e+00  -9.02045e-01 0.00000e+00 0.00000e+00 6.37706e+01 337.693 3.74391e+01 337.693 0.7509 
1 1 1 22 15 2  o 2  3.59557e+01 1.12629e+01 6.09770e+01 244.451 -2.06163e+00 -4.31287e+00 0.00000e+00 0.00000e+00 2.72110e+01 244.451 3.37660e+01 64.451  0.8880 
1 1 1 22 15 3  o 18 3.54685e+01 1.12363e+01 5.98043e+01 144.291 -3.75988e+00 2.70261e+00  0.00000e+00 0.00000e+00 2.67798e+01 144.291 3.30245e+01 324.291 0.8840 
1 1 1 22 15 4  o 4  3.70714e+01 1.13809e+01 3.54114e+01 74.744  7.46052e-01  2.73544e+00  0.00000e+00 0.00000e+00 4.61545e+01 74.744  1.07430e+01 74.744  0.7970 
1 1 1 22 15 5  o 10 6.29404e+01 1.30447e+01 1.10149e+02 244.741 -5.69375e+00 -1.20678e+01 0.00000e+00 0.00000e+00 5.68922e+01 244.741 5.32564e+01 64.741  0.9618 
1 1 1 22 15 6  o 5  7.12590e+01 1.23317e+01 9.99981e+01 73.120  4.31143e+00  1.42081e+01  0.00000e+00 0.00000e+00 8.98059e+01 73.120  1.01922e+01 253.120 0.9657 
1 1 1 22 15 7  o 1  6.57788e+01 1.20496e+01 9.93039e+01 335.626 1.26301e+01  -5.72225e+00 0.00000e+00 0.00000e+00 7.53558e+01 335.626 2.39481e+01 155.626 0.9632 
1 1 1 22 15 8  o 11 4.56134e+01 1.24649e+01 5.27490e+01 240.111 -2.46776e+00 -4.29340e+00 0.00000e+00 0.00000e+00 5.93691e+01 240.111 6.62009e+00 240.111 0.8923 
1 1 1 22 15 9  o 7  5.27440e+01 1.23747e+01 5.73734e+01 355.724 6.23963e+00  -4.66474e-01 0.00000e+00 0.00000e+00 7.56494e+01 355.724 1.82760e+01 355.724 0.9162 
1 1 1 22 15 10 o 14 3.33159e+01 1.08515e+01 5.24493e+01 160.664 -3.78231e+00 1.32724e+00  0.00000e+00 0.00000e+00 2.67108e+01 160.664 2.57385e+01 340.664 0.8638 
1 1 1 22 15 11 o 14 3.28267e+01 1.06926e+01 8.79906e+00 96.956  -8.00496e-02 6.56146e-01  0.00000e+00 0.00000e+00 1.94975e+01 96.956  1.06985e+01 96.956  0.3137 
1 1 1 22 15 12 o 14 3.76188e+01 1.15294e+01 1.70852e+01 197.701 -1.32034e+00 -4.21403e-01 0.00000e+00 0.00000e+00 4.14361e+01 197.701 2.43510e+01 197.701 0.5667 
1 1 1 22 15 13 o 4  6.25567e+01 1.29186e+01 4.71202e+01 291.391 2.10134e+00  -5.36437e+00 0.00000e+00 0.00000e+00 1.08733e+02 291.391 6.16126e+01 291.391 0.9085 
1 1 1 22 15 14 o 15 4.49739e+01 1.20869e+01 5.30440e+01 356.805 5.35164e+00  -2.98749e-01 0.00000e+00 0.00000e+00 5.79651e+01 356.805 4.92110e+00 356.805 0.9011 
1 1 1 22 15 15 o 5  4.73574e+01 1.59204e+01 2.82221e+01 264.675 -2.09102e-01 -2.24328e+00 0.00000e+00 0.00000e+00 6.70342e+01 264.675 3.88121e+01 264.675 0.7352 
1 1 1 22 16 0  o 13 4.10066e+01 2.20539e+01 2.29878e+01 180.000 -8.13217e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.33985e+01 180.000 3.04108e+01 180.000 0.6714 
1 1 1 22 16 1  o 9  3.23521e+01 1.07262e+01 4.64630e+01 1.348   3.73948e+00  8.80155e-02  0.00000e+00 0.00000e+00 3.00806e+01 1.348   1.63824e+01 181.348 0.8527 
1 1 1 22 16 2  o 13 4.99729e+01 1.25192e+01 6.42840e+01 54.881  4.01911e+00  5.71466e+00  0.00000e+00 0.00000e+00 6.40039e+01 54.881  2.80078e-01 234.881 0.9254 
1 1 1 22 16 3  o 17 5.41574e+01 1.33515e+01 9.01405e+01 13.292  9.69818e+00  2.29109e+00  0.00000e+00 0.00000e+00 5.23192e+01 13.292  3.78213e+01 193.292 0.9484 
1 1 1 22 16 4  o 8  4.02089e+01 1.29857e+01 5.31998e+01 81.385  6.72019e-01  4.43558e+00  0.00000e+00 0.00000e+00 4.49011e+01 81.385  8.29873e+00 261.385 0.8799 
1 1 1 22 16 5  o 13 4.32855e+01 2.16427e+01 1.41072e+01 61.229  3.29252e-01  5.99638e-01  0.00000e+00 0.00000e+00 2.47012e+01 61.229  1.05940e+01 61.229  0.3235 
1 1 1 23 0  1  o 14 1.09565e+02 4.18805e+01 8.04545e+01 135.000 -1.67205e+00 1.67205e+00  0.00000e+00 0.00000e+00 2.09384e+02 135.000 1.28930e+02 135.000 0.9825 
1 1 1 23 0  9  o 3  2.36495e+01 1.62733e+01 5.02383e+00 135.000 -5.44314e-02 5.44314e-02  0.00000e+00 0.00000e+00 1.48653e-01 315.000 5.17249e+00 315.000 0.0768 
1 1 1 23 0  10 o 5  1.09336e+02 1.21125e+01 1.41536e+02 0.000   1.11264e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.51600e+02 0.000   1.00644e+01 0.000   1.0000 
1 1 1 23 0  11 o 9  1.53192e+02 9.33648e+00 2.12963e+02 225.000 -1.75088e+01 -1.75088e+01 0.00000e+00 0.00000e+00 1.97379e+02 225.000 1.55836e+01 45.000  1.0000 
1 1 1 23 0  12 o 2  1.12917e+02 1.36211e+01 1.39756e+02 90.000  6.63510e-16  1.08359e+01  0.00000e+00 0.00000e+00 1.62405e+02 90.000  2.26493e+01 90.000  1.0000 
1 1 1 23 0  13 o 8  2.79720e+01 1.86462e+01 2.13247e+00 135.000 -2.57266e-02 2.57266e-02  0.00000e+00 0.00000e+00 5.86728e-01 135.000 1.54574e+00 315.000 0.0364 
1 1 1 23 0  14 o 2  6.43470e+01 2.33844e+01 1.68527e+02 180.000 -5.66854e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.27305e+00 180.000 1.65254e+02 0.000   1.0000 
1 1 1 23 0  15 o 13 3.23166e+01 2.03236e+01 8.21439e+01 225.000 -1.04732e+00 -1.04732e+00 0.00000e+00 0.00000e+00 4.44036e+00 45.000  8.65842e+01 45.000  0.9017 
1 1 1 23 0  16 o 6  1.41405e+02 9.95700e+00 2.33200e+02 270.000 -1.45940e-15 -2.38338e+01 0.00000e+00 0.00000e+00 1.43371e+02 270.000 8.98298e+01 90.000  1.0000 
1 1 1 23 0  17 o 16 6.31698e+01 2.21018e+01 9.03440e+01 135.000 -2.21655e+00 2.21655e+00  0.00000e+00 0.00000e+00 7.70069e+01 135.000 1.33371e+01 315.000 0.9962 
1 1 1 23 0  18 o 2  6.58130e+01 2.10278e+01 1.59286e+02 180.000 -5.92713e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.54626e+01 180.000 1.43823e+02 0.000   1.0000 
1 1 1 23 0  19 o 8  2.19384e+01 1.52987e+01 4.92747e+01 45.000  5.29630e-01  5.29630e-01  0.00000e+00 0.00000e+00 1.23692e+01 225.000 6.16439e+01 225.000 0.6346 
1 1 1 23 0  20 o 14 6.87591e+01 2.04937e+01 8.84939e+01 90.000  2.19148e-16  3.57895e+00  0.00000e+00 0.00000e+00 9.31990e+01 90.000  4.70514e+00 90.000  0.9984 
1 1 1 23 0  21 o 18 2.00798e+01 1.43265e+01 3.09378e+01 135.000 -3.44923e-01 3.44923e-01  0.00000e+00 0.00000e+00 6.93515e+00 315.000 3.78730e+01 315.000 0.4525 
1 1 1 23 0  22 o 18 9.91382e+01 1.28016e+01 1.63199e+02 0.000   1.33392e+01  0.00000e+00  0.00000e+00 0.00000e+00 9.82289e+01 0.000   6.49697e+01 180.000 1.0000 
1 1 1 23 0  23 o 10 2.06476e+01 1.46752e+01 4.03525e+01 45.000  4.56168e-01  4.56168e-01  0.00000e+00 0.00000e+00 9.46583e+00 225.000 4.98183e+01 225.000 0.5684 
1 1 1 23 0  24 o 13 6.05246e+01 2.47690e+01 8.51654e+01 90.000  1.71411e-16  2.79936e+00  0.00000e+00 0.00000e+00 7.26331e+01 90.000  1.25322e+01 270.000 0.9926 
1 1 1 23 0  25 o 8  2.23279e+01 1.58560e+01 1.46577e+01 135.000 -1.89981e-01 1.89981e-01  0.00000e+00 0.00000e+00 6.97796e-01 135.000 1.39599e+01 315.000 0.2624 
1 1 1 23 0  26 o 4  5.28155e+01 2.41690e+01 4.90163e+01 180.000 -1.55627e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.73429e+01 180.000 2.83266e+01 180.000 0.9148 
1 1 1 23 0  27 o 10 2.29283e+01 1.59354e+01 5.71721e+01 225.000 -7.44138e-01 -7.44138e-01 0.00000e+00 0.00000e+00 1.03445e+01 45.000  6.75166e+01 45.000  0.7827 
1 1 1 23 0  28 o 18 3.54174e+01 2.04223e+01 2.43902e+01 270.000 -3.63002e-17 -5.92828e-01 0.00000e+00 0.00000e+00 2.46507e+01 270.000 2.60508e-01 270.000 0.5319 
1 1 1 23 0  29 o 17 2.59225e+01 1.72582e+01 4.46117e+01 315.000 6.72486e-01  -6.72486e-01 0.00000e+00 0.00000e+00 5.21692e+00 315.000 3.93948e+01 135.000 0.7403 
1 1 1 23 0  30 o 2  1.40962e+02 9.46983e+00 1.73505e+02 0.000   2.79320e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.91600e+02 0.000   1.80951e+01 0.000   1.0000 
1 1 1 23 0  31 o 12 2.24400e+01 1.55706e+01 2.60908e+01 45.000  4.00224e-01  4.00224e-01  0.00000e+00 0.00000e+00 3.61362e+00 45.000  2.24772e+01 225.000 0.5124 
1 1 1 23 0  32 o 9  9.84882e+01 1.22671e+01 1.22453e+02 90.000  8.59217e-16  1.40321e+01  0.00000e+00 0.00000e+00 1.31281e+02 90.000  8.82856e+00 90.000  1.0000 
1 1 1 23 0  33 o 19 2.42238e+01 1.65605e+01 4.80182e+00 315.000 8.02686e-02  -8.02686e-02 0.00000e+00 0.00000e+00 2.23245e+00 315.000 2.56937e+00 135.000 0.1130 
1 1 1 23 0  34 o 12 2.07567e+01 1.46097e+01 1.49039e+01 180.000 -3.51178e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.03722e+00 180.000 1.18667e+01 0.000   0.3374 
1 1 1 23 0  35 o 6  2.23496e+01 1.58268e+01 4.60288e+01 45.000  8.04907e-01  8.04907e-01  0.00000e+00 0.00000e+00 4.26869e-01 45.000  4.56020e+01 225.000 0.8138 
1 1 1 23 0  36 o 9  2.43188e+01 1.67225e+01 6.73382e+00 90.000  1.04566e-17  1.70770e-01  0.00000e+00 0.00000e+00 3.73888e+00 90.000  2.99494e+00 270.000 0.1691 
1 1 1 23 0  37 o 17 2.63743e+01 1.77114e+01 4.72155e-01 135.000 -9.51257e-03 9.51257e-03  0.00000e+00 0.00000e+00 4.28374e-01 135.000 4.37810e-02 315.000 0.0135 
1 1 1 23 1  8  o 17 7.07867e+01 1.34619e+01 1.36524e+02 193.866 -8.34963e+00 -2.06110e+00 0.00000e+00 0.00000e+00 4.21603e+01 193.866 9.43635e+01 13.866  0.9399 
1 1 1 23 1  9  o 1  1.38239e+02 7.15217e+00 2.00490e+02 246.056 -1.69526e+01 -3.81766e+01 0.00000e+00 0.00000e+00 1.66024e+02 246.056 3.44652e+01 66.056  0.9880 
1 1 1 23 1  10 o 18 4.13854e+01 1.21068e+01 5.61009e+01 333.405 2.61348e+00  -1.30846e+00 0.00000e+00 0.00000e+00 3.31323e+01 333.405 2.29686e+01 153.405 0.8041 
1 1 1 23 1  11 o 6  1.60533e+02 6.52324e+00 1.97343e+02 80.710  7.76966e+00  4.75010e+01  0.00000e+00 0.00000e+00 2.28234e+02 80.710  3.08910e+01 80.710  0.9896 
1 1 1 23 1  12 o 2  5.39725e+01 1.39834e+01 5.89621e+01 227.222 -2.55469e+00 -2.76098e+00 0.00000e+00 0.00000e+00 6.43518e+01 227.222 5.38971e+00 227.222 0.8537 
1 1 1 23 1  13 o 11 1.23301e+02 9.07403e+00 1.76083e+02 83.968  3.26772e+00  3.09231e+01  0.00000e+00 0.00000e+00 1.48212e+02 83.968  2.78708e+01 263.968 0.9838 
1 1 1 23 1  14 o 12 5.59365e+01 1.35921e+01 2.47581e+01 327.180 1.38725e+00  -8.94715e-01 0.00000e+00 0.00000e+00 6.95316e+01 327.180 4.47734e+01 327.180 0.6313 
1 1 1 23 1  15 o 16 3.81161e+01 1.21379e+01 5.38595e+01 172.665 -2.48902e+00 3.20399e-01  0.00000e+00 0.00000e+00 2.40122e+01 172.665 2.98473e+01 352.665 0.7660 
1 1 1 23 1  16 o 9  3.69086e+01 1.16101e+01 8.56941e+01 159.906 -3.68487e+00 1.34806e+00  0.00000e+00 0.00000e+00 1.10112e+00 339.906 8.67952e+01 339.906 0.8605 
1 1 1 23 1  17 o 9  6.36286e+01 1.23808e+01 1.24136e+02 233.775 -5.90760e+00 -8.06428e+00 0.00000e+00 0.00000e+00 3.63928e+01 233.775 8.77430e+01 53.775  0.9486 
1 1 1 23 1  18 o 12 8.37578e+01 1.09961e+01 7.51156e+01 219.230 -6.47980e+00 -5.29047e+00 0.00000e+00 0.00000e+00 1.33563e+02 219.230 5.84477e+01 219.230 0.9382 
1 1 1 23 1  19 o 16 4.95235e+01 1.26441e+01 5.66103e+01 53.909  2.11954e+00  2.90759e+00  0.00000e+00 0.00000e+00 5.44846e+01 53.909  2.12577e+00 233.909 0.8461 
1 1 1 23 1  20 o 19 6.66579e+01 1.27009e+01 9.50024e+01 235.419 -4.57044e+00 -6.63001e+00 0.00000e+00 0.00000e+00 7.00885e+01 235.419 2.49140e+01 55.419  0.9357 
1 1 1 23 1  21 o 3  4.07398e+01 1.19954e+01 4.08105e+01 9.162   2.37227e+00  3.82601e-01  0.00000e+00 0.00000e+00 4.03556e+01 9.162   4.54938e-01 189.162 0.7540 
1 1 1 23 1  22 o 1  4.09798e+01 1.21082e+01 5.02194e+01 182.895 -2.96863e+00 -1.50105e-01 0.00000e+00 0.00000e+00 3.71004e+01 182.895 1.31190e+01 2.895   0.8079 
1 1 1 23 1  23 o 16 5.71981e+01 1.24544e+01 8.21911e+01 294.607 2.76167e+00  -6.03009e+00 0.00000e+00 0.00000e+00 5.65025e+01 294.607 2.56886e+01 114.607 0.9212 
1 1 1 23 1  24 o 6  4.14835e+01 1.22162e+01 8.18274e+01 36.944  3.79717e+00  2.85553e+00  0.00000e+00 0.00000e+00 1.48623e+01 36.944  6.69652e+01 216.944 0.8873 
1 1 1 23 1  25 o 7  5.87286e+01 1.37255e+01 1.03129e+02 3.527   8.73879e+00  5.38687e-01  0.00000e+00 0.00000e+00 4.17427e+01 3.527   6.13864e+01 183.527 0.9410 
1 1 1 23 1  26 o 9  3.43739e+01 1.12295e+01 2.08211e+01 261.905 -1.63809e-01 -1.15166e+00 0.00000e+00 0.00000e+00 2.42459e+01 261.905 3.42480e+00 261.905 0.5013 
1 1 1 23 1  27 o 14 5.96394e+01 1.30083e+01 1.26682e+02 191.382 -1.09164e+01 -2.19760e+00 0.00000e+00 0.00000e+00 2.17939e+01 191.382 1.04888e+02 11.382  0.9540 
1 1 1 23 1  28 o 8  6.43502e+01 1.32156e+01 6.73829e+01 9.027   6.25139e+00  9.93100e-01  0.00000e+00 0.00000e+00 8.62782e+01 9.027   1.88953e+01 9.027   0.9172 
1 1 1 23 1  29 o 8  3.88848e+01 1.14539e+01 4.34355e+01 132.554 -1.95104e+00 2.12513e+00  0.00000e+00 0.00000e+00 3.74653e+01 132.554 5.97014e+00 312.554 0.8011 
1 1 1 23 1  30 o 11 9.00798e+01 9.31074e+00 9.62071e+01 354.082 1.75048e+01  -1.81446e+00 0.00000e+00 0.00000e+00 1.30412e+02 354.082 3.42050e+01 354.082 0.9712 
1 1 1 23 1  31 o 8  1.30984e+02 6.97520e+00 1.85615e+02 348.262 5.61589e+01  -1.16693e+01 0.00000e+00 0.00000e+00 1.49840e+02 348.262 3.57756e+01 168.262 0.9912 
1 1 1 23 1  32 o 8  4.78609e+01 1.24372e+01 9.90306e+01 288.165 2.77514e+00  -8.45799e+00 0.00000e+00 0.00000e+00 1.71418e+01 288.165 8.18888e+01 108.165 0.9420 
1 1 1 23 1  33 o 2  4.38381e+01 1.17046e+01 3.04424e+01 280.422 4.70986e-01  -2.56074e+00 0.00000e+00 0.00000e+00 5.69453e+01 280.422 2.65029e+01 280.422 0.7758 
1 1 1 23 1  34 o 19 4.51684e+01 1.19338e+01 2.63587e+01 50.571  1.55426e+00  1.89021e+00  0.00000e+00 0.00000e+00 6.14891e+01 50.571  3.51304e+01 50.571  0.7591 
1 1 1 23 1  35 o 14 5.28236e+01 1.31348e+01 1.00948e+02 139.011 -7.85285e+00 6.82370e+00  0.00000e+00 0.00000e+00 2.73262e+01 139.011 7.36217e+01 319.011 0.9507 
1 1 1 23 1  36 o 11 3.94233e+01 1.20073e+01 2.51775e+01 194.564 -1.97940e+00 -5.14278e-01 0.00000e+00 0.00000e+00 4.56057e+01 194.564 2.04282e+01 194.564 0.7050 
1 1 1 23 1  37 o 7  3.37797e+01 1.12284e+01 4.01653e+01 284.243 7.87202e-01  -3.10110e+00 0.00000e+00 0.00000e+00 3.04703e+01 284.243 9.69497e+00 104.243 0.8237 
1 1 1 23 2  6  o 11 1.25948e+02 2.80869e+01 1.59758e+02 82.221  1.40501e+00  1.02854e+01  0.00000e+00 0.00000e+00 1.62283e+02 82.221  2.52557e+00 82.221  0.9505 
1 1 1 23 2  7  o 19 5.83929e+01 1.32254e+01 9.90071e+01 0.235   5.18267e+00  2.13001e-02  0.00000e+00 0.00000e+00 4.18825e+01 0.235   5.71245e+01 180.235 0.8975 
1 1 1 23 2  8  o 8  5.89588e+01 1.27719e+01 1.16352e+02 120.044 -4.22099e+00 7.29807e+00  0.00000e+00 0.00000e+00 3.23409e+01 120.044 8.40108e+01 300.044 0.9387 
1 1 1 23 2  9  o 2  7.47953e+01 1.16704e+01 6.42368e+01 23.599  5.64425e+00  2.46575e+00  0.00000e+00 0.00000e+00 1.19456e+02 23.599  5.52190e+01 23.599  0.9148 
1 1 1 23 2  10 o 11 8.84644e+01 1.05022e+01 1.37320e+02 128.772 -1.01679e+01 1.26592e+01  0.00000e+00 0.00000e+00 9.25636e+01 128.772 4.47569e+01 308.772 0.9687 
1 1 1 23 2  11 o 19 8.00924e+01 1.25041e+01 1.15725e+02 227.939 -7.83376e+00 -8.68160e+00 0.00000e+00 0.00000e+00 8.95398e+01 227.939 2.61852e+01 47.939  0.9562 
1 1 1 23 2  12 o 6  5.51362e+01 1.38608e+01 4.43339e+01 8.303   2.86650e+00  4.18312e-01  0.00000e+00 0.00000e+00 7.40714e+01 8.303   2.97376e+01 8.303   0.8021 
1 1 1 23 2  13 o 4  3.90712e+01 1.22407e+01 8.25237e+01 119.047 -1.97968e+00 3.56447e+00  0.00000e+00 0.00000e+00 8.01814e+00 119.047 7.45056e+01 299.047 0.8664 
1 1 1 23 2  14 o 3  5.86584e+01 1.37953e+01 6.50519e+01 298.446 2.08080e+00  -3.84104e+00 0.00000e+00 0.00000e+00 7.22739e+01 298.446 7.22195e+00 298.446 0.8763 
1 1 1 23 2  15 o 15 5.53303e+01 1.33526e+01 1.06283e+02 119.819 -3.39314e+00 5.92012e+00  0.00000e+00 0.00000e+00 3.00533e+01 119.819 7.62301e+01 299.819 0.9235 
1 1 1 23 2  16 f 0  3.49184e+01 1.11559e+01 4.40323e+01 273.774 1.35042e-01  -2.04735e+00 0.00000e+00 0.00000e+00 2.16653e+01 273.774 2.23670e+01 93.774  0.7061 
1 1 1 23 2  17 o 11 6.56128e+01 1.28970e+01 7.59556e+01 286.561 1.75417e+00  -5.89895e+00 0.00000e+00 0.00000e+00 8.37328e+01 286.561 7.77715e+00 286.561 0.9147 
1 1 1 23 2  18 o 4  7.47990e+01 1.22555e+01 3.97991e+01 161.237 -3.69176e+00 1.25412e+00  0.00000e+00 0.00000e+00 1.31009e+02 161.237 9.12094e+01 161.237 0.8595 
1 1 1 23 2  19 o 19 9.76108e+01 9.16648e+00 1.19819e+02 148.006 -1.45695e+01 9.10196e+00  0.00000e+00 0.00000e+00 1.31444e+02 148.006 1.16251e+01 148.006 0.9704 
1 1 1 23 2  20 o 1  1.15848e+02 7.97955e+00 1.42172e+02 96.219  -3.06141e+00 2.80917e+01  0.00000e+00 0.00000e+00 1.59124e+02 96.219  1.69519e+01 96.219  0.9821 
1 1 1 23 2  21 o 4  4.36380e+01 1.23147e+01 3.51574e+01 170.146 -2.14693e+00 3.72909e-01  0.00000e+00 0.00000e+00 4.84842e+01 170.146 1.33268e+01 170.146 0.7251 
1 1 1 23 2  22 o 19 3.51201e+01 1.12911e+01 3.79077e+01 285.591 5.34812e-01  -1.91665e+00 0.00000e+00 0.00000e+00 2.65964e+01 285.591 1.13113e+01 105.591 0.6961 
1 1 1 23 2  23 o 9  3.82258e+01 1.19302e+01 4.53723e+01 69.533  8.64285e-01  2.31566e+00  0.00000e+00 0.00000e+00 3.13213e+01 69.533  1.40511e+01 249.533 0.7619 
1 1 1 23 2  24 o 11 8.06526e+01 1.21893e+01 9.57538e+01 285.722 2.92450e+00  -1.03888e+01 0.00000e+00 0.00000e+00 1.06133e+02 285.722 1.03796e+01 285.722 0.9525 
1 1 1 23 2  25 o 8  9.56330e+01 1.02319e+01 1.69554e+02 240.724 -1.35852e+01 -2.42325e+01 0.00000e+00 0.00000e+00 7.66875e+01 240.724 9.28665e+01 60.724  0.9818 
1 1 1 23 2  26 o 2  9.47740e+01 1.04251e+01 9.85100e+01 357.398 1.56573e+01  -7.11511e-01 0.00000e+00 0.00000e+00 1.41442e+02 357.398 4.29321e+01 357.398 0.9676 
1 1 1 23 2  27 o 17 6.24568e+01 1.29948e+01 6.47352e+01 158.652 -5.58977e+00 2.18481e+00  0.00000e+00 0.00000e+00 8.40379e+01 158.652 1.93027e+01 158.652 0.9124 
1 1 1 23 2  28 o 9  5.78229e+01 1.18030e+01 2.83116e+01 128.314 -1.58412e+00 2.00486e+00  0.00000e+00 0.00000e+00 8.77842e+01 128.314 5.94726e+01 128.314 0.7709 
1 1 1 23 2  29 f 0  5.57915e+01 1.29394e+01 6.60810e+01 30.701  5.00026e+00  2.96906e+00  0.00000e+00 0.00000e+00 6.57409e+01 30.701  3.40069e-01 210.701 0.9094 
1 1 1 23 2  30 o 10 4.72033e+01 1.27892e+01 6.66688e+01 279.476 8.73156e-01  -5.23123e+00 0.00000e+00 0.00000e+00 4.34264e+01 279.476 2.32424e+01 99.476  0.9000 
1 1 1 23 2  31 o 19 7.10069e+01 1.17854e+01 9.81775e+01 258.001 -2.67548e+00 -1.25881e+01 0.00000e+00 0.00000e+00 7.80770e+01 258.001 2.01005e+01 78.001  0.9603 
1 1 1 23 2  32 o 10 3.68251e+01 1.10574e+01 2.66615e+01 342.933 1.90837e+00  -5.85893e-01 0.00000e+00 0.00000e+00 3.95173e+01 342.933 1.28557e+01 342.933 0.6972 
1 1 1 23 2  33 o 1  4.69755e+01 1.28512e+01 8.51034e+01 212.026 -6.16379e+00 -3.85541e+00 0.00000e+00 0.00000e+00 2.70066e+01 212.026 5.80968e+01 32.026  0.9284 
1 1 1 23 2  34 o 9  5.68482e+01 1.27315e+01 7.46876e+01 122.504 -4.44961e+00 6.98354e+00  0.00000e+00 0.00000e+00 6.19165e+01 122.504 1.27710e+01 302.503 0.9375 
1 1 1 23 2  35 o 18 5.41224e+01 1.29177e+01 8.61772e+01 32.215  7.79368e+00  4.91078e+00  0.00000e+00 0.00000e+00 4.43943e+01 32.215  4.17830e+01 212.215 0.9441 
1 1 1 23 2  36 o 4  4.41835e+01 1.29177e+01 4.83267e+01 351.916 4.10303e+00  -5.82782e-01 0.00000e+00 0.00000e+00 4.94755e+01 351.916 1.14888e+00 351.916 0.8688 
1 1 1 23 2  37 o 15 5.28104e+01 1.35200e+01 7.74501e+01 57.131  4.46699e+00  6.91317e+00  0.00000e+00 0.00000e+00 4.82379e+01 57.131  2.92122e+01 237.131 0.9371 
1 1 1 23 3  2  o 4  5.75348e+01 1.92527e+01 4.53620e+01 86.633  1.11448e-01  1.89457e+00  0.00000e+00 0.00000e+00 6.01413e+01 86.633  1.47793e+01 86.633  0.6803 
1 1 1 23 3  3  o 17 7.55626e+01 1.37719e+01 9.82767e+01 222.925 -4.80201e+00 -4.46616e+00 0.00000e+00 0.00000e+00 8.91243e+01 222.925 9.15235e+00 42.925  0.9202 
1 1 1 23 3  4  o 10 7.62388e+01 1.24154e+01 9.21160e+01 273.979 4.48713e-01  -6.45026e+00 0.00000e+00 0.00000e+00 9.66585e+01 273.979 4.54253e+00 273.979 0.9190 
1 1 1 23 3  5  o 18 4.78458e+01 1.29042e+01 3.23459e+01 22.371  1.75264e+00  7.21365e-01  0.00000e+00 0.00000e+00 5.52520e+01 22.371  2.29061e+01 22.371  0.6798 
1 1 1 23 3  6  o 3  1.02715e+02 8.91487e+00 1.38050e+02 106.823 -5.85423e+00 1.93615e+01  0.00000e+00 0.00000e+00 1.31525e+02 106.823 6.52410e+00 286.823 0.9750 
1 1 1 23 3  7  o 5  3.89479e+01 1.19175e+01 6.63435e+01 321.355 2.56385e+00  -2.04997e+00 0.00000e+00 0.00000e+00 2.05117e+01 321.355 4.58318e+01 141.355 0.8289 
1 1 1 23 3  8  o 12 1.23990e+02 7.98372e+00 1.42543e+02 110.296 -8.96080e+00 2.42294e+01  0.00000e+00 0.00000e+00 1.84305e+02 110.296 4.17616e+01 110.296 0.9805 
1 1 1 23 3  9  o 9  8.09752e+01 1.15982e+01 1.05436e+02 45.287  7.68269e+00  7.75996e+00  0.00000e+00 0.00000e+00 1.01905e+02 45.287  3.53074e+00 225.287 0.9530 
1 1 1 23 3  10 o 9  3.79909e+01 1.19601e+01 8.16294e+01 295.994 1.75226e+00  -3.59356e+00 0.00000e+00 0.00000e+00 6.42990e+00 295.994 7.51995e+01 115.994 0.8634 
1 1 1 23 3  11 o 18 6.19945e+01 1.38407e+01 8.46537e+01 217.077 -4.96230e+00 -3.74990e+00 0.00000e+00 0.00000e+00 6.75926e+01 217.077 1.70612e+01 37.078  0.9156 
1 1 1 23 3  12 o 8  6.42033e+01 1.27386e+01 1.45283e+02 65.137  4.85504e+00  1.04772e+01  0.00000e+00 0.00000e+00 1.91165e+01 65.137  1.26166e+02 245.137 0.9557 
1 1 1 23 3  13 o 7  3.75232e+01 1.20654e+01 1.92243e+01 61.415  4.24145e-01  7.78411e-01  0.00000e+00 0.00000e+00 2.14220e+01 61.415  2.19766e+00 61.415  0.4047 
1 1 1 23 3  14 o 17 7.71960e+01 1.25269e+01 9.12658e+01 224.847 -5.99632e+00 -5.96436e+00 0.00000e+00 0.00000e+00 1.02494e+02 224.847 1.12283e+01 224.847 0.9389 
1 1 1 23 3  15 o 10 5.25773e+01 1.26354e+01 1.01835e+02 49.033  4.41134e+00  5.08066e+00  0.00000e+00 0.00000e+00 2.76509e+01 49.033  7.41837e+01 229.033 0.9224 
1 1 1 23 3  16 o 4  6.59149e+01 1.24765e+01 9.04825e+01 209.039 -6.56080e+00 -3.64252e+00 0.00000e+00 0.00000e+00 7.31089e+01 209.039 1.73736e+01 29.039  0.9308 
1 1 1 23 3  17 o 7  5.95179e+01 1.25536e+01 6.10853e+01 126.532 -2.80228e+00 3.78259e+00  0.00000e+00 0.00000e+00 7.93456e+01 126.532 1.82603e+01 126.532 0.8861 
1 1 1 23 3  18 o 5  4.09084e+01 1.20444e+01 2.46380e+01 224.542 -9.44698e-01 -9.29719e-01 0.00000e+00 0.00000e+00 3.51735e+01 224.542 1.05355e+01 224.542 0.5499 
1 1 1 23 3  19 o 10 3.18546e+01 1.04717e+01 4.80411e+01 335.587 2.16964e+00  -9.84769e-01 0.00000e+00 0.00000e+00 1.55116e+01 335.587 3.25295e+01 155.587 0.7516 
1 1 1 23 3  20 o 6  7.43443e+01 1.15714e+01 8.47310e+01 121.060 -4.78674e+00 7.94757e+00  0.00000e+00 0.00000e+00 1.01337e+02 121.060 1.66064e+01 121.060 0.9445 
1 1 1 23 3  21 o 8  7.64346e+01 1.14358e+01 1.12835e+02 341.886 1.22068e+01  -3.99318e+00 0.00000e+00 0.00000e+00 8.13177e+01 341.886 3.15171e+01 161.886 0.9602 
1 1 1 23 3  22 o 5  5.83705e+01 1.04701e+01 5.67854e+01 186.955 -5.07245e+00 -6.18749e-01 0.00000e+00 0.00000e+00 8.12868e+01 186.955 2.45014e+01 186.955 0.8959 
1 1 1 23 3  23 o 13 4.37462e+01 1.21463e+01 4.27764e+01 231.681 -1.63003e+00 -2.06260e+00 0.00000e+00 0.00000e+00 4.69507e+01 231.681 4.17424e+00 231.681 0.7783 
1 1 1 23 3  24 o 15 4.82631e+01 1.29862e+01 5.72764e+01 227.239 -2.82023e+00 -3.04977e+00 0.00000e+00 0.00000e+00 5.30482e+01 227.239 4.22811e+00 47.239  0.8692 
1 1 1 23 3  25 o 2  4.11845e+01 1.21968e+01 8.82166e+01 58.470  2.94223e+00  4.79571e+00  0.00000e+00 0.00000e+00 9.72115e+00 58.470  7.84955e+01 238.470 0.9061 
1 1 1 23 3  26 o 3  3.25349e+01 1.06253e+01 3.46925e+01 219.569 -1.44073e+00 -1.19055e+00 0.00000e+00 0.00000e+00 2.28182e+01 219.569 1.18743e+01 39.569  0.6750 
1 1 1 23 3  27 o 7  3.03492e+01 1.01571e+01 5.32864e+01 222.902 -2.00568e+00 -1.86390e+00 0.00000e+00 0.00000e+00 9.24146e+00 222.902 4.40449e+01 42.902  0.7886 
1 1 1 23 3  28 o 19 6.52073e+01 1.30402e+01 5.12549e+01 38.965  4.09313e+00  3.31045e+00  0.00000e+00 0.00000e+00 1.01566e+02 38.965  5.03115e+01 38.965  0.8992 
1 1 1 23 3  29 o 15 3.52008e+01 1.11065e+01 2.99010e+01 244.034 -8.55514e-01 -1.75670e+00 0.00000e+00 0.00000e+00 3.32557e+01 244.034 3.35469e+00 244.034 0.6901 
1 1 1 23 3  30 o 4  4.09050e+01 1.21682e+01 4.10329e+01 17.824  2.89941e+00  9.32264e-01  0.00000e+00 0.00000e+00 4.52450e+01 17.824  4.21215e+00 17.824  0.8133 
1 1 1 23 3  31 o 10 4.67992e+01 1.29272e+01 6.29111e+01 100.533 -9.27469e-01 4.98833e+00  0.00000e+00 0.00000e+00 4.54376e+01 100.533 1.74735e+01 280.533 0.8951 
1 1 1 23 3  32 o 8  3.69832e+01 1.16632e+01 5.87317e+01 210.693 -3.65188e+00 -2.16776e+00 0.00000e+00 0.00000e+00 2.44948e+01 210.693 3.42369e+01 30.693  0.8724 
1 1 1 23 3  33 o 7  3.56695e+01 1.13032e+01 6.40301e+01 276.243 4.93063e-01  -4.50728e+00 0.00000e+00 0.00000e+00 1.68359e+01 276.243 4.71942e+01 96.243  0.8813 
1 1 1 23 3  34 o 1  4.12074e+01 1.22068e+01 7.09369e+01 25.474  5.30246e+00  2.52622e+00  0.00000e+00 0.00000e+00 2.52817e+01 25.474  4.56551e+01 205.474 0.9103 
1 1 1 23 3  35 o 13 4.21528e+01 1.22298e+01 4.64446e+01 352.959 3.99938e+00  -4.93945e-01 0.00000e+00 0.00000e+00 4.67637e+01 352.959 3.19105e-01 352.959 0.8647 
1 1 1 23 3  36 o 1  9.07513e+01 1.17384e+01 1.04840e+02 106.364 -5.58645e+00 1.90252e+01  0.00000e+00 0.00000e+00 1.20618e+02 106.364 1.57776e+01 106.364 0.9744 
1 1 1 23 4  0  o 7  2.57124e+01 1.77203e+01 7.07025e+01 0.000   1.12812e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.44690e+01 180.000 8.51715e+01 180.000 0.8104 
1 1 1 23 4  1  o 8  1.28962e+02 8.23586e+00 1.30483e+02 214.224 -2.02954e+01 -1.38050e+01 0.00000e+00 0.00000e+00 2.10376e+02 214.224 7.98927e+01 214.224 0.9794 
1 1 1 23 4  2  o 9  3.71301e+01 1.16612e+01 9.59213e+01 28.541  4.02172e+00  2.18733e+00  0.00000e+00 0.00000e+00 7.49703e+00 208.541 1.03418e+02 208.541 0.8826 
1 1 1 23 4  3  o 5  8.25502e+01 1.18931e+01 1.40548e+02 153.713 -1.32333e+01 6.53664e+00  0.00000e+00 0.00000e+00 7.44674e+01 153.713 6.60808e+01 333.713 0.9655 
1 1 1 23 4  4  f 0  1.08436e+02 9.21302e+00 1.12888e+02 289.529 5.75655e+00  -1.62297e+01 0.00000e+00 0.00000e+00 1.70930e+02 289.529 5.80425e+01 289.529 0.9705 
1 1 1 23 4  5  o 1  1.13897e+02 9.77195e+00 9.72243e+01 11.943  1.49119e+01  3.15424e+00  0.00000e+00 0.00000e+00 1.99576e+02 11.943  1.02351e+02 11.943  0.9666 
1 1 1 23 4  6  o 3  4.75719e+01 1.22427e+01 5.48603e+01 263.598 -3.63057e-01 -3.23594e+00 0.00000e+00 0.00000e+00 5.11855e+01 263.598 3.67477e+00 83.598  0.8273 
1 1 1 23 4  7  o 16 6.94235e+01 1.28684e+01 7.09674e+01 60.131  3.05106e+00  5.31264e+00  0.00000e+00 0.00000e+00 9.99685e+01 60.131  2.90011e+01 60.131  0.9143 
1 1 1 23 4  8  o 14 4.56786e+01 1.28322e+01 2.69567e+01 134.681 -1.07549e+00 1.08753e+00  0.00000e+00 0.00000e+00 4.72160e+01 134.681 2.02593e+01 134.681 0.6033 
1 1 1 23 4  9  o 17 5.83465e+01 1.38436e+01 6.37845e+01 186.927 -4.37859e+00 -5.31966e-01 0.00000e+00 0.00000e+00 7.39313e+01 186.927 1.01468e+01 186.927 0.8776 
1 1 1 23 4  10 o 19 8.08924e+01 1.23525e+01 1.02999e+02 345.151 1.01438e+01  -2.68945e+00 0.00000e+00 0.00000e+00 1.03739e+02 345.151 7.40123e-01 345.151 0.9511 
1 1 1 23 4  11 o 15 8.56356e+01 1.18359e+01 9.84519e+01 100.577 -1.92282e+00 1.02974e+01  0.00000e+00 0.00000e+00 1.20190e+02 100.577 2.17384e+01 100.577 0.9510 
1 1 1 23 4  12 o 18 5.11880e+01 1.36200e+01 3.60621e+01 236.861 -1.16092e+00 -1.77822e+00 0.00000e+00 0.00000e+00 6.23832e+01 236.861 2.63211e+01 236.861 0.7171 
1 1 1 23 4  13 o 3  9.94707e+01 8.91490e+00 1.34340e+02 73.907  5.06748e+00  1.75650e+01  0.00000e+00 0.00000e+00 1.24764e+02 73.907  9.57540e+00 253.907 0.9723 
1 1 1 23 4  14 o 3  6.78648e+01 1.24756e+01 8.12169e+01 150.815 -6.07831e+00 3.39500e+00  0.00000e+00 0.00000e+00 8.67913e+01 150.815 5.57445e+00 150.815 0.9251 
1 1 1 23 4  15 o 3  4.76698e+01 1.25551e+01 9.52756e+01 354.724 5.66442e+00  -5.23096e-01 0.00000e+00 0.00000e+00 2.03120e+01 354.724 7.49635e+01 174.724 0.9072 
1 1 1 23 4  16 f 0  1.14297e+02 8.55616e+00 1.46185e+02 320.679 1.95721e+01  -1.60317e+01 0.00000e+00 0.00000e+00 1.52797e+02 320.679 6.61158e+00 320.679 0.9800 
1 1 1 23 4  17 o 18 4.48654e+01 1.16568e+01 3.30532e+01 339.763 1.85872e+00  -6.85241e-01 0.00000e+00 0.00000e+00 5.00117e+01 339.763 1.69585e+01 339.763 0.6946 
1 1 1 23 4  18 o 6  5.54713e+01 1.27390e+01 5.08922e+01 348.061 3.87744e+00  -8.19830e-01 0.00000e+00 0.00000e+00 7.63753e+01 348.061 2.54831e+01 348.061 0.8621 
1 1 1 23 4  19 o 4  6.64121e+01 1.26383e+01 6.33617e+01 70.662  1.95391e+00  5.56774e+00  0.00000e+00 0.00000e+00 9.73569e+01 70.662  3.39952e+01 70.662  0.9108 
1 1 1 23 4  20 o 6  8.23780e+01 1.15904e+01 1.34916e+02 204.202 -1.49988e+01 -6.74145e+00 0.00000e+00 0.00000e+00 7.68479e+01 204.202 5.80680e+01 24.202  0.9691 
1 1 1 23 4  21 o 9  4.15345e+01 1.20238e+01 8.72121e+01 306.113 3.07528e+00  -4.21528e+00 0.00000e+00 0.00000e+00 1.15718e+01 306.113 7.56403e+01 126.113 0.8982 
1 1 1 23 4  22 o 9  7.05718e+01 1.26507e+01 8.41456e+01 249.848 -2.81207e+00 -7.66275e+00 0.00000e+00 0.00000e+00 9.05461e+01 249.848 6.40053e+00 249.848 0.9366 
1 1 1 23 4  23 o 5  6.95791e+01 1.28125e+01 1.13235e+02 14.780  1.15632e+01  3.05075e+00  0.00000e+00 0.00000e+00 6.24562e+01 14.780  5.07791e+01 194.780 0.9572 
1 1 1 23 4  24 o 13 9.91487e+01 9.01929e+00 1.32444e+02 359.688 2.36847e+01  -1.29114e-01 0.00000e+00 0.00000e+00 1.22998e+02 359.688 9.44557e+00 179.688 0.9787 
1 1 1 23 4  25 o 7  4.23683e+01 1.18407e+01 7.64912e+01 95.428  -4.80188e-01 5.05395e+00  0.00000e+00 0.00000e+00 2.31376e+01 95.428  5.33536e+01 275.427 0.8951 
1 1 1 23 4  26 o 3  5.55271e+01 1.20906e+01 3.83051e+01 18.033  3.13391e+00  1.02028e+00  0.00000e+00 0.00000e+00 8.24534e+01 18.033  4.41484e+01 18.033  0.8297 
1 1 1 23 4  27 o 4  4.95338e+01 1.29260e+01 9.81384e+01 149.344 -6.64126e+00 3.93637e+00  0.00000e+00 0.00000e+00 2.26966e+01 149.344 7.54418e+01 329.344 0.9328 
1 1 1 23 4  28 o 19 4.84454e+01 1.28183e+01 1.95203e+00 337.099 1.47507e-01  -6.23125e-02 0.00000e+00 0.00000e+00 8.13538e+00 337.099 6.18334e+00 337.099 0.0798 
1 1 1 23 4  29 o 19 4.77884e+01 1.31483e+01 1.75563e+01 25.181  1.25244e+00  5.88852e-01  0.00000e+00 0.00000e+00 5.28539e+01 25.181  3.52976e+01 25.181  0.5661 
1 1 1 23 4  30 o 10 4.80602e+01 1.31137e+01 5.74726e+01 192.045 -4.61727e+00 -9.85224e-01 0.00000e+00 0.00000e+00 5.31297e+01 192.045 4.34285e+00 12.045  0.8865 
1 1 1 23 4  31 o 9  4.02030e+01 1.21955e+01 6.11065e+01 268.262 -1.41539e-01 -4.66580e+00 0.00000e+00 0.00000e+00 3.10225e+01 268.262 3.00840e+01 88.262  0.8851 
1 1 1 23 4  32 o 7  4.52904e+01 1.29598e+01 4.57494e+01 271.084 7.07884e-02  -3.74078e+00 0.00000e+00 0.00000e+00 5.39815e+01 271.084 8.23208e+00 271.084 0.8528 
1 1 1 23 4  33 o 16 3.78848e+01 1.17276e+01 2.22997e+01 350.344 1.73026e+00  -2.94402e-01 0.00000e+00 0.00000e+00 4.14178e+01 350.344 1.91181e+01 350.344 0.6532 
1 1 1 23 4  34 o 4  2.88517e+01 9.89570e+00 2.66644e+01 47.348  1.24712e+00  1.35375e+00  0.00000e+00 0.00000e+00 2.29511e+01 47.348  3.71326e+00 227.348 0.6698 
1 1 1 23 4  35 o 17 4.60965e+01 1.26716e+01 6.20853e+01 128.731 -3.53054e+00 4.40196e+00  0.00000e+00 0.00000e+00 4.48736e+01 128.731 1.72116e+01 308.731 0.9064 
1 1 1 23 4  36 o 11 5.78516e+01 1.34492e+01 7.32285e+01 89.189  1.21229e-01  8.56404e+00  0.00000e+00 0.00000e+00 6.55035e+01 89.189  7.72503e+00 269.189 0.9397 
1 1 1 23 5  0  o 13 6.66861e+01 2.27140e+01 1.62463e+02 180.000 -5.83056e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.77344e+01 180.000 1.44729e+02 0.000   1.0000 
1 1 1 23 5  1  o 4  1.05999e+02 8.70852e+00 1.50747e+02 0.616   2.33889e+01  2.51523e-01  0.00000e+00 0.00000e+00 1.29483e+02 0.616   2.12641e+01 180.616 0.9784 
1 1 1 23 5  2  o 15 3.50322e+01 1.12019e+01 3.94365e+01 65.198  7.72058e-01  1.67071e+00  0.00000e+00 0.00000e+00 2.39551e+01 65.198  1.54814e+01 245.198 0.6698 
1 1 1 23 5  3  o 13 5.24586e+01 1.24609e+01 7.00485e+01 140.664 -3.59036e+00 2.94243e+00  0.00000e+00 0.00000e+00 5.52654e+01 140.664 1.47831e+01 320.664 0.8844 
1 1 1 23 5  4  o 8  6.05058e+01 1.30402e+01 9.27603e+01 347.893 6.75375e+00  -1.44868e+00 0.00000e+00 0.00000e+00 5.82885e+01 347.893 3.44718e+01 167.893 0.9245 
1 1 1 23 5  5  o 9  1.25926e+02 7.63601e+00 1.60266e+02 164.596 -2.93462e+01 8.08544e+00  0.00000e+00 0.00000e+00 1.74017e+02 164.596 1.37510e+01 164.596 0.9834 
1 1 1 23 5  6  o 10 7.89927e+01 1.19196e+01 9.29041e+01 212.090 -7.99536e+00 -5.01356e+00 0.00000e+00 0.00000e+00 1.08591e+02 212.090 1.56871e+01 212.090 0.9454 
1 1 1 23 5  7  o 15 3.67072e+01 1.16415e+01 5.81693e+01 236.243 -1.49219e+00 -2.23263e+00 0.00000e+00 0.00000e+00 1.94068e+01 236.243 3.87625e+01 56.243  0.7837 
1 1 1 23 5  8  o 8  5.67213e+01 1.36178e+01 9.84208e+01 275.231 5.88652e-01  -6.42945e+00 0.00000e+00 0.00000e+00 4.20360e+01 275.231 5.63848e+01 95.231  0.9189 
1 1 1 23 5  9  o 5  6.43543e+01 1.36291e+01 7.58540e+01 43.037  4.11244e+00  3.83986e+00  0.00000e+00 0.00000e+00 8.11727e+01 43.037  5.31872e+00 43.037  0.9061 
1 1 1 23 5  10 o 5  1.17929e+02 8.67524e+00 1.13869e+02 339.443 1.74196e+01  -6.53270e+00 0.00000e+00 0.00000e+00 1.94780e+02 339.443 8.09103e+01 339.443 0.9727 
1 1 1 23 5  11 o 19 6.80114e+01 1.31909e+01 1.62667e+02 92.698  -6.40710e-01 1.35974e+01  0.00000e+00 0.00000e+00 1.33089e+01 92.698  1.49358e+02 272.698 0.9625 
1 1 1 23 5  12 f 0  5.47778e+01 1.16521e+01 2.59135e+01 33.915  1.54069e+00  1.03587e+00  0.00000e+00 0.00000e+00 7.30518e+01 33.915  4.71383e+01 33.915  0.6728 
1 1 1 23 5  13 o 14 6.82113e+01 1.21587e+01 8.36706e+01 272.702 3.43062e-01  -7.26889e+00 0.00000e+00 0.00000e+00 8.62298e+01 272.702 2.55917e+00 272.702 0.9285 
1 1 1 23 5  14 o 1  1.03861e+02 8.68018e+00 1.25694e+02 167.959 -1.93035e+01 4.11740e+00  0.00000e+00 0.00000e+00 1.45454e+02 167.959 1.97601e+01 167.959 0.9743 
1 1 1 23 5  15 o 7  6.85802e+01 1.22982e+01 4.35804e+01 277.357 4.98946e-01  -3.86449e+00 0.00000e+00 0.00000e+00 1.14149e+02 277.357 7.05685e+01 277.357 0.8594 
1 1 1 23 5  16 o 4  7.46059e+01 1.15934e+01 1.32431e+02 169.329 -1.44264e+01 2.71828e+00  0.00000e+00 0.00000e+00 6.00408e+01 169.329 7.23906e+01 349.329 0.9653 
1 1 1 23 5  17 o 19 4.04821e+01 1.20653e+01 6.36934e+01 347.554 3.64003e+00  -8.03396e-01 0.00000e+00 0.00000e+00 2.83715e+01 347.554 3.53218e+01 167.554 0.8522 
1 1 1 23 5  18 o 19 6.78821e+01 1.22861e+01 7.42245e+01 31.851  6.15945e+00  3.82663e+00  0.00000e+00 0.00000e+00 9.36812e+01 31.851  1.94566e+01 31.851  0.9282 
1 1 1 23 5  19 o 9  6.69479e+01 1.25191e+01 5.67562e+01 284.863 1.37897e+00  -5.19609e+00 0.00000e+00 0.00000e+00 1.03800e+02 284.863 4.70434e+01 284.863 0.9014 
1 1 1 23 5  20 o 4  1.06936e+02 8.79441e+00 1.43366e+02 7.536   2.47687e+01  3.27679e+00  0.00000e+00 0.00000e+00 1.34913e+02 7.536   8.45245e+00 187.536 0.9798 
1 1 1 23 5  21 o 1  7.22151e+01 1.21562e+01 8.18698e+01 267.832 -3.14132e-01 -8.29751e+00 0.00000e+00 0.00000e+00 9.76654e+01 267.832 1.57956e+01 267.832 0.9377 
1 1 1 23 5  22 o 7  4.31371e+01 1.20749e+01 4.79868e+01 62.373  1.51147e+00  2.88789e+00  0.00000e+00 0.00000e+00 4.64764e+01 62.373  1.51035e+00 242.373 0.8275 
1 1 1 23 5  23 o 16 3.77355e+01 1.17237e+01 2.73628e+01 340.680 1.54663e+00  -5.42239e-01 0.00000e+00 0.00000e+00 3.52941e+01 340.680 7.93132e+00 340.680 0.6286 
1 1 1 23 5  24 o 9  3.54735e+01 1.10553e+01 1.27870e+01 4.916   7.35236e-01  6.32339e-02  0.00000e+00 0.00000e+00 1.95604e+01 4.916   6.77337e+00 4.916   0.3459 
1 1 1 23 5  25 o 11 3.88749e+01 1.16357e+01 8.27693e+00 55.317  2.90172e-01  4.19326e-01  0.00000e+00 0.00000e+00 1.69823e+01 55.317  8.70541e+00 55.317  0.2470 
1 1 1 23 5  26 o 6  3.59270e+01 1.12950e+01 5.77271e+01 61.947  1.68853e+00  3.16861e+00  0.00000e+00 0.00000e+00 2.20153e+01 61.947  3.57118e+01 241.947 0.8457 
1 1 1 23 5  27 o 14 8.61009e+01 1.13100e+01 1.04784e+02 156.725 -1.52730e+01 6.56954e+00  0.00000e+00 0.00000e+00 1.13788e+02 156.725 9.00399e+00 156.725 0.9694 
1 1 1 23 5  28 o 17 5.40748e+01 1.28762e+01 6.39263e+01 334.808 5.24347e+00  -2.46650e+00 0.00000e+00 0.00000e+00 6.44880e+01 334.808 5.61728e-01 334.808 0.9090 
1 1 1 23 5  29 o 1  4.53760e+01 1.22382e+01 7.21212e+01 118.237 -2.78662e+00 5.18899e+00  0.00000e+00 0.00000e+00 3.55565e+01 118.237 3.65648e+01 298.237 0.9106 
1 1 1 23 5  30 o 8  5.77927e+01 1.29868e+01 4.95938e+01 263.711 -5.69296e-01 -5.16543e+00 0.00000e+00 0.00000e+00 8.52685e+01 263.711 3.56747e+01 263.711 0.8978 
1 1 1 23 5  31 o 13 7.19337e+01 1.16996e+01 6.66955e+01 328.993 8.01861e+00  -4.81944e+00 0.00000e+00 0.00000e+00 1.09524e+02 328.993 4.28287e+01 328.993 0.9449 
1 1 1 23 5  32 o 17 3.97634e+01 1.18037e+01 1.95886e+01 138.727 -1.21242e+00 1.06414e+00  0.00000e+00 0.00000e+00 4.44489e+01 138.727 2.48603e+01 138.727 0.6229 
1 1 1 23 5  33 o 6  5.10979e+01 1.30441e+01 3.98989e+01 249.925 -1.37218e+00 -3.75479e+00 0.00000e+00 0.00000e+00 7.38511e+01 249.925 3.39522e+01 249.925 0.8634 
1 1 1 23 5  34 o 11 3.97119e+01 1.25813e+01 5.11289e+01 48.874  2.65321e+00  3.03864e+00  0.00000e+00 0.00000e+00 3.71605e+01 48.874  1.39684e+01 228.874 0.8648 
1 1 1 23 5  35 o 2  5.50661e+01 1.25989e+01 6.92105e+01 72.848  2.41414e+00  7.82185e+00  0.00000e+00 0.00000e+00 6.30064e+01 72.848  6.20409e+00 252.848 0.9368 
1 1 1 23 6  0  o 11 2.84228e+01 1.84655e+01 1.62878e+01 180.000 -2.74264e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.29638e+00 180.000 1.19914e+01 0.000   0.2676 
1 1 1 23 6  1  o 7  4.05387e+01 1.09921e+01 9.51282e+00 318.951 3.74330e-01  -3.25965e-01 0.00000e+00 0.00000e+00 1.69100e+01 318.951 7.39718e+00 318.951 0.2408 
1 1 1 23 6  2  o 17 3.25609e+01 1.06706e+01 1.52896e+01 140.529 -5.00427e-01 4.12092e-01  0.00000e+00 0.00000e+00 1.18673e+01 140.529 3.42228e+00 320.529 0.3082 
1 1 1 23 6  3  o 17 4.19943e+01 1.20317e+01 2.12724e+01 47.468  7.45059e-01  8.12182e-01  0.00000e+00 0.00000e+00 3.34223e+01 47.468  1.21499e+01 47.468  0.4814 
1 1 1 23 6  4  o 18 3.86525e+01 1.15009e+01 4.11488e+01 123.875 -1.11556e+00 1.66171e+00  0.00000e+00 0.00000e+00 3.18204e+01 123.875 9.32844e+00 303.875 0.6980 
1 1 1 23 6  5  o 4  3.45433e+01 1.09150e+01 7.54944e+01 184.193 -3.34174e+00 -2.44989e-01 0.00000e+00 0.00000e+00 2.29015e+00 184.193 7.32043e+01 4.193   0.8329 
1 1 1 23 6  6  o 9  4.00966e+01 1.19486e+01 9.38344e+01 227.698 -3.11894e+00 -3.42746e+00 0.00000e+00 0.00000e+00 1.96367e+00 227.698 9.18708e+01 47.698  0.8841 
1 1 1 23 6  7  o 13 4.68271e+01 1.24543e+01 1.62786e+01 270.335 5.67212e-03  -9.70203e-01 0.00000e+00 0.00000e+00 3.88282e+01 270.335 2.25496e+01 270.335 0.4357 
1 1 1 23 6  8  o 19 9.58001e+01 9.15505e+00 8.63251e+01 172.392 -1.18533e+01 1.58330e+00  0.00000e+00 0.00000e+00 1.61180e+02 172.392 7.48546e+01 172.392 0.9572 
1 1 1 23 6  9  o 17 5.66295e+01 1.25211e+01 5.74983e+01 175.628 -4.09731e+00 3.13266e-01  0.00000e+00 0.00000e+00 7.50101e+01 175.628 1.75118e+01 175.628 0.8676 
1 1 1 23 6  10 o 13 6.98494e+01 1.14933e+01 1.00573e+02 80.150  1.57760e+00  9.08598e+00  0.00000e+00 0.00000e+00 7.71380e+01 80.150  2.34352e+01 260.150 0.9441 
1 1 1 23 6  11 o 9  8.08330e+01 1.07428e+01 1.05463e+02 182.255 -1.19497e+01 -4.70483e-01 0.00000e+00 0.00000e+00 1.02861e+02 182.255 2.60155e+00 2.255   0.9572 
1 1 1 23 6  12 o 12 1.51012e+02 6.05145e+00 1.73314e+02 14.132  4.16050e+01  1.04754e+01  0.00000e+00 0.00000e+00 2.28101e+02 14.132  5.47869e+01 14.132  0.9883 
1 1 1 23 6  13 o 15 8.35644e+01 9.69212e+00 1.21807e+02 201.348 -1.37282e+01 -5.36581e+00 0.00000e+00 0.00000e+00 9.49577e+01 201.348 2.68498e+01 21.349  0.9655 
1 1 1 23 6  14 o 11 5.60411e+01 1.15084e+01 1.04891e+02 286.954 2.55710e+00  -8.38775e+00 0.00000e+00 0.00000e+00 3.66503e+01 286.954 6.82403e+01 106.954 0.9411 
1 1 1 23 6  15 o 12 1.09405e+02 8.30694e+00 1.67608e+02 326.286 2.59122e+01  -1.72904e+01 0.00000e+00 0.00000e+00 1.20886e+02 326.286 4.67220e+01 146.286 0.9838 
1 1 1 23 6  16 o 8  3.36295e+01 1.07475e+01 4.23185e+01 193.929 -2.13639e+00 -5.29842e-01 0.00000e+00 0.00000e+00 2.32305e+01 193.929 1.90880e+01 13.929  0.7282 
1 1 1 23 6  17 o 8  9.86979e+01 9.43775e+00 5.53322e+01 270.373 5.77694e-02  -8.87859e+00 0.00000e+00 0.00000e+00 1.93147e+02 270.373 1.37814e+02 270.373 0.9419 
1 1 1 23 6  18 o 16 7.45595e+01 1.24837e+01 9.81189e+01 229.427 -6.64519e+00 -7.76056e+00 0.00000e+00 0.00000e+00 9.08675e+01 229.427 7.25149e+00 49.427  0.9497 
1 1 1 23 6  19 o 9  5.60128e+01 1.35455e+01 6.61371e+01 126.450 -2.90663e+00 3.93524e+00  0.00000e+00 0.00000e+00 6.68216e+01 126.450 6.84460e-01 126.450 0.8908 
1 1 1 23 6  20 o 5  5.92110e+01 1.36086e+01 8.82214e+01 226.093 -5.28712e+00 -5.49270e+00 0.00000e+00 0.00000e+00 5.85624e+01 226.093 2.96590e+01 46.093  0.9319 
1 1 1 23 6  21 f 0  4.75051e+01 1.27437e+01 7.60920e+01 55.058  3.14245e+00  4.49749e+00  0.00000e+00 0.00000e+00 3.78903e+01 55.058  3.82017e+01 235.058 0.9036 
1 1 1 23 6  22 o 15 1.52714e+02 6.60798e+00 1.47052e+02 133.491 -3.04705e+01 3.21197e+01  0.00000e+00 0.00000e+00 2.53125e+02 133.491 1.06073e+02 133.491 0.9886 
1 1 1 23 6  23 o 19 1.02429e+02 8.79790e+00 1.14275e+02 51.444  1.32486e+01  1.66226e+01  0.00000e+00 0.00000e+00 1.50237e+02 51.444  3.59613e+01 51.444  0.9762 
1 1 1 23 6  24 o 17 4.36196e+01 1.22328e+01 4.48761e+01 163.808 -2.88813e+00 8.38645e-01  0.00000e+00 0.00000e+00 4.84625e+01 163.808 3.58640e+00 163.808 0.8105 
1 1 1 23 6  25 o 8  1.03594e+02 8.33582e+00 1.38531e+02 73.209  8.26056e+00  2.73760e+01  0.00000e+00 0.00000e+00 1.29568e+02 73.209  8.96288e+00 253.209 0.9824 
1 1 1 23 6  26 o 17 4.14402e+01 1.20079e+01 2.61055e+01 219.906 -1.46974e+00 -1.22918e+00 0.00000e+00 0.00000e+00 4.83481e+01 219.906 2.22427e+01 219.906 0.6835 
1 1 1 23 6  27 o 10 6.23198e+01 1.23814e+01 8.34911e+01 235.924 -5.23769e+00 -7.74313e+00 0.00000e+00 0.00000e+00 7.09466e+01 235.924 1.25445e+01 55.924  0.9449 
1 1 1 23 6  28 o 9  3.49361e+01 1.07813e+01 3.94170e+01 335.035 2.60300e+00  -1.21188e+00 0.00000e+00 0.00000e+00 3.37097e+01 335.035 5.70726e+00 155.035 0.8000 
1 1 1 23 6  29 o 14 3.72757e+01 1.15217e+01 4.16896e+01 145.380 -2.53222e+00 1.74819e+00  0.00000e+00 0.00000e+00 3.76532e+01 145.380 4.03641e+00 325.380 0.8155 
1 1 1 23 6  30 o 13 5.70484e+01 1.25555e+01 7.43655e+01 17.243  7.50496e+00  2.32940e+00  0.00000e+00 0.00000e+00 6.43541e+01 17.243  1.00114e+01 197.243 0.9340 
1 1 1 23 6  31 o 13 7.08150e+01 1.20778e+01 9.68143e+01 82.389  1.84818e+00  1.38309e+01  0.00000e+00 0.00000e+00 8.03442e+01 82.389  1.64701e+01 262.389 0.9635 
1 1 1 23 6  32 o 7  4.19566e+01 1.16501e+01 7.44586e+01 87.590  2.82223e-01  6.70537e+00  0.00000e+00 0.00000e+00 2.57310e+01 87.590  4.87275e+01 267.590 0.9222 
1 1 1 23 6  33 o 17 3.45229e+01 1.08915e+01 1.26172e+01 280.212 1.70858e-01  -9.48447e-01 0.00000e+00 0.00000e+00 2.60177e+01 280.212 1.34005e+01 280.212 0.4334 
1 1 1 23 6  34 o 5  4.12293e+01 1.22350e+01 5.63169e+01 79.751  9.10345e-01  5.03457e+00  0.00000e+00 0.00000e+00 3.88011e+01 79.751  1.75158e+01 259.751 0.8960 
1 1 1 23 7  0  o 11 4.95079e+01 2.20294e+01 1.16576e+02 0.000   3.18020e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.71991e+01 0.000   9.93771e+01 180.000 0.9965 
1 1 1 23 7  1  f 0  5.00386e+01 1.23212e+01 8.29697e+01 162.378 -5.04449e+00 1.60233e+00  0.00000e+00 0.00000e+00 3.91021e+01 162.378 4.38675e+01 342.378 0.8998 
1 1 1 23 7  2  o 17 1.67292e+02 6.14652e+00 1.89814e+02 81.609  7.35206e+00  4.98452e+01  0.00000e+00 0.00000e+00 2.59190e+02 81.609  6.93758e+01 81.609  0.9900 
1 1 1 23 7  3  o 6  6.08548e+01 1.33023e+01 1.05324e+02 192.678 -7.62983e+00 -1.71632e+00 0.00000e+00 0.00000e+00 4.86790e+01 192.678 5.66453e+01 12.678  0.9337 
1 1 1 23 7  4  o 3  4.60028e+01 1.23706e+01 3.69955e+01 56.064  1.20551e+00  1.79159e+00  0.00000e+00 0.00000e+00 5.30370e+01 56.064  1.60414e+01 56.064  0.7223 
1 1 1 23 7  5  o 3  5.34516e+01 1.29106e+01 4.11572e+01 202.745 -2.60552e+00 -1.09231e+00 0.00000e+00 0.00000e+00 7.41110e+01 202.745 3.29538e+01 202.745 0.7962 
1 1 1 23 7  6  o 18 4.28690e+01 1.21128e+01 4.65159e+01 217.589 -2.09814e+00 -1.61517e+00 0.00000e+00 0.00000e+00 4.40276e+01 217.589 2.48832e+00 37.589  0.7802 
1 1 1 23 7  7  o 7  4.97589e+01 1.20483e+01 5.05578e+01 141.568 -2.61801e+00 2.07736e+00  0.00000e+00 0.00000e+00 6.15130e+01 141.568 1.09552e+01 141.568 0.8324 
1 1 1 23 7  8  o 8  5.93789e+01 1.23257e+01 7.23369e+01 250.974 -1.83306e+00 -5.31571e+00 0.00000e+00 0.00000e+00 7.31415e+01 250.974 8.04562e-01 250.974 0.9061 
1 1 1 23 7  9  o 5  3.23647e+01 1.04259e+01 6.67861e+01 332.117 2.69940e+00  -1.42822e+00 0.00000e+00 0.00000e+00 4.38868e+00 332.117 6.23974e+01 152.117 0.8139 
1 1 1 23 7  10 o 2  3.72488e+01 1.13909e+01 2.70915e+01 294.926 6.40695e-01  -1.37859e+00 0.00000e+00 0.00000e+00 3.33561e+01 294.926 6.26459e+00 294.926 0.6011 
1 1 1 23 7  11 o 9  1.08160e+02 7.67704e+00 1.51988e+02 292.201 1.08842e+01  -2.66701e+01 0.00000e+00 0.00000e+00 1.34648e+02 292.201 1.73403e+01 112.201 0.9825 
1 1 1 23 7  12 o 18 3.24374e+01 1.02977e+01 7.93219e+01 210.760 -3.47164e+00 -2.06627e+00 0.00000e+00 0.00000e+00 3.71018e+00 30.760  8.30320e+01 30.760  0.8650 
1 1 1 23 7  13 o 13 8.54731e+01 1.01943e+01 9.51524e+01 244.266 -5.61451e+00 -1.16484e+01 0.00000e+00 0.00000e+00 1.25838e+02 244.266 3.06851e+01 244.266 0.9605 
1 1 1 23 7  14 o 11 4.80743e+01 1.25389e+01 5.77035e+01 73.798  1.09984e+00  3.78523e+00  0.00000e+00 0.00000e+00 5.36159e+01 73.798  4.08765e+00 253.798 0.8612 
1 1 1 23 7  15 o 12 4.99232e+01 1.31696e+01 9.25877e+01 214.681 -5.21527e+00 -3.60863e+00 0.00000e+00 0.00000e+00 3.03919e+01 214.681 6.21958e+01 34.681  0.9174 
1 1 1 23 7  16 o 4  3.82799e+01 1.16676e+01 1.50617e+01 139.988 -6.39967e-01 5.37225e-01  0.00000e+00 0.00000e+00 2.44717e+01 139.988 9.40996e+00 139.988 0.3851 
1 1 1 23 7  17 o 17 1.09557e+02 8.50775e+00 1.56513e+02 222.271 -2.08496e+01 -1.89524e+01 0.00000e+00 0.00000e+00 1.31612e+02 222.271 2.49014e+01 42.271  0.9821 
1 1 1 23 7  18 o 13 4.45189e+01 1.12420e+01 6.76574e+01 51.662  3.08098e+00  3.89594e+00  0.00000e+00 0.00000e+00 3.85952e+01 51.662  2.90622e+01 231.662 0.8926 
1 1 1 23 7  19 o 4  4.08309e+01 1.20366e+01 7.55588e+01 112.254 -1.84071e+00 4.49836e+00  0.00000e+00 0.00000e+00 2.14562e+01 112.254 5.41026e+01 292.254 0.8900 
1 1 1 23 7  20 o 14 3.32830e+01 1.07180e+01 4.79243e+01 70.243  8.98439e-01  2.50138e+00  0.00000e+00 0.00000e+00 2.13631e+01 70.243  2.65612e+01 250.243 0.7811 
1 1 1 23 7  21 o 15 1.31394e+02 7.18547e+00 1.96207e+02 95.341  -4.66618e+00 4.99159e+01  0.00000e+00 0.00000e+00 1.49844e+02 95.341  4.63628e+01 275.341 0.9900 
1 1 1 23 7  22 o 4  1.32069e+02 6.67789e+00 1.70449e+02 259.731 -7.87865e+00 -4.34853e+01 0.00000e+00 0.00000e+00 1.76260e+02 259.731 5.81131e+00 259.731 0.9886 
1 1 1 23 7  23 o 1  8.83367e+01 9.53259e+00 1.35785e+02 10.588  2.23513e+01  4.17806e+00  0.00000e+00 0.00000e+00 9.31247e+01 10.588  4.26607e+01 190.588 0.9778 
1 1 1 23 7  24 o 15 4.80120e+01 1.20211e+01 5.25958e+01 243.142 -2.02677e+00 -4.00217e+00 0.00000e+00 0.00000e+00 5.91436e+01 243.142 6.54781e+00 243.142 0.8799 
1 1 1 23 7  25 o 16 6.82190e+01 1.14321e+01 7.87056e+01 335.170 8.88358e+00  -4.11046e+00 0.00000e+00 0.00000e+00 9.18859e+01 335.170 1.31803e+01 335.170 0.9475 
1 1 1 23 7  26 f 0  3.31410e+01 1.06186e+01 4.69496e+01 67.318  1.18878e+00  2.84439e+00  0.00000e+00 0.00000e+00 2.42625e+01 67.318  2.26871e+01 247.318 0.8159 
1 1 1 23 7  27 o 12 7.96545e+01 1.10280e+01 8.22774e+01 69.400  4.72728e+00  1.25769e+01  0.00000e+00 0.00000e+00 1.19070e+02 69.400  3.67929e+01 69.400  0.9620 
1 1 1 23 7  28 o 1  4.22645e+01 1.17777e+01 6.90919e+01 144.667 -4.64937e+00 3.29599e+00  0.00000e+00 0.00000e+00 3.14385e+01 144.667 3.76534e+01 324.667 0.9074 
1 1 1 23 7  29 o 6  6.18794e+01 1.24979e+01 4.26272e+01 104.824 -1.34373e+00 5.07735e+00  0.00000e+00 0.00000e+00 1.02823e+02 104.824 6.01959e+01 104.824 0.8989 
1 1 1 23 7  30 o 10 3.95293e+01 1.16444e+01 4.15700e+01 297.927 1.66368e+00  -3.13859e+00 0.00000e+00 0.00000e+00 4.54251e+01 297.927 3.85518e+00 297.927 0.8438 
1 1 1 23 7  31 o 1  4.41054e+01 1.21178e+01 3.10071e+01 334.976 2.57862e+00  -1.20373e+00 0.00000e+00 0.00000e+00 6.05391e+01 334.976 2.95320e+01 334.976 0.7979 
1 1 1 23 7  32 o 1  7.20293e+01 1.23362e+01 7.91386e+01 349.702 1.13095e+01  -2.05485e+00 0.00000e+00 0.00000e+00 9.94035e+01 349.702 2.02649e+01 349.702 0.9555 
1 1 1 23 7  33 o 10 4.75987e+01 1.62509e+01 4.37418e+01 86.862  1.89227e-01  3.45153e+00  0.00000e+00 0.00000e+00 5.95486e+01 86.862  1.58068e+01 86.862  0.8388 
1 1 1 23 8  0  o 5  4.04185e+01 2.22769e+01 8.25012e+00 0.000   2.02704e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.37123e+01 0.000   5.46217e+00 0.000   0.2000 
1 1 1 23 8  1  o 15 1.33944e+02 7.43510e+00 1.43897e+02 228.670 -2.27039e+01 -2.58162e+01 0.00000e+00 0.00000e+00 2.14713e+02 228.670 7.08152e+01 228.670 0.9853 
1 1 1 23 8  2  o 4  6.91075e+01 1.22624e+01 1.07970e+02 39.686  8.32005e+00  6.90407e+00  0.00000e+00 0.00000e+00 7.08743e+01 39.686  3.70955e+01 219.686 0.9526 
1 1 1 23 8  3  o 9  4.78298e+01 1.27742e+01 7.99143e+01 61.955  2.53788e+00  4.76408e+00  0.00000e+00 0.00000e+00 3.72506e+01 61.955  4.26637e+01 241.955 0.9019 
1 1 1 23 8  4  o 17 3.21636e+01 1.05307e+01 5.89529e+01 268.695 -6.76980e-02 -2.97172e+00 0.00000e+00 0.00000e+00 1.16087e+01 268.695 4.73442e+01 88.695  0.8079 
1 1 1 23 8  5  o 14 3.95211e+01 1.16496e+01 2.56846e+01 164.063 -1.45118e+00 4.14401e-01  0.00000e+00 0.00000e+00 3.85072e+01 164.063 1.28226e+01 164.063 0.5984 
1 1 1 23 8  6  o 9  6.30282e+01 1.17696e+01 1.04827e+02 143.602 -7.84781e+00 5.78551e+00  0.00000e+00 0.00000e+00 5.71483e+01 143.602 4.76789e+01 323.602 0.9472 
1 1 1 23 8  7  f 0  1.03075e+02 8.28781e+00 1.19773e+02 197.445 -2.01522e+01 -6.33260e+00 0.00000e+00 0.00000e+00 1.53019e+02 197.445 3.32466e+01 197.445 0.9760 
1 1 1 23 8  8  o 12 5.88755e+01 1.17619e+01 5.70362e+01 154.709 -4.51370e+00 2.13271e+00  0.00000e+00 0.00000e+00 8.54636e+01 154.709 2.84274e+01 154.709 0.8932 
1 1 1 23 8  9  o 3  4.22733e+01 1.24602e+01 5.65959e+01 192.756 -3.34548e+00 -7.57374e-01 0.00000e+00 0.00000e+00 3.92547e+01 192.756 1.73412e+01 12.756  0.8374 
1 1 1 23 8  10 f 0  5.92523e+01 1.28149e+01 5.84388e+01 250.700 -1.60792e+00 -4.59146e+00 0.00000e+00 0.00000e+00 8.42615e+01 250.700 2.58228e+01 250.700 0.8902 
1 1 1 23 8  11 o 16 8.47545e+01 1.08798e+01 7.54020e+01 44.254  7.01865e+00  6.83832e+00  0.00000e+00 0.00000e+00 1.41673e+02 44.254  6.62714e+01 44.254  0.9475 
1 1 1 23 8  12 o 1  3.76584e+01 1.17185e+01 6.56365e+01 56.401  1.98801e+00  2.99235e+00  0.00000e+00 0.00000e+00 2.03754e+01 56.401  4.52611e+01 236.401 0.8458 
1 1 1 23 8  13 o 4  1.38806e+02 7.77026e+00 1.62992e+02 41.707  2.87652e+01  2.56355e+01  0.00000e+00 0.00000e+00 2.06549e+02 41.707  4.35572e+01 41.707  0.9869 
1 1 1 23 8  14 o 8  1.34324e+02 7.40264e+00 1.39972e+02 352.844 3.69095e+01  -4.63386e+00 0.00000e+00 0.00000e+00 2.17049e+02 352.844 7.70767e+01 352.844 0.9865 
1 1 1 23 8  15 o 12 4.94902e+01 1.30609e+01 2.27380e+01 197.353 -1.61719e+00 -5.05354e-01 0.00000e+00 0.00000e+00 6.25796e+01 197.353 3.98416e+01 197.353 0.6406 
1 1 1 23 8  16 o 15 6.40941e+01 1.18711e+01 6.58994e+01 160.417 -6.34413e+00 2.25695e+00  0.00000e+00 0.00000e+00 9.29865e+01 160.417 2.70870e+01 160.417 0.9224 
1 1 1 23 8  17 o 10 9.27748e+01 8.61960e+00 9.89221e+01 165.473 -1.63729e+01 4.24266e+00  0.00000e+00 0.00000e+00 1.42571e+02 165.473 4.36488e+01 165.473 0.9700 
1 1 1 23 8  18 o 7  5.05779e+01 1.24269e+01 7.25804e+01 172.561 -5.56965e+00 7.27231e-01  0.00000e+00 0.00000e+00 5.02004e+01 172.561 2.23800e+01 352.561 0.9060 
1 1 1 23 8  19 o 19 4.27858e+01 1.15057e+01 4.45053e+01 88.751  6.67600e-02  3.06167e+00  0.00000e+00 0.00000e+00 4.87243e+01 88.751  4.21904e+00 88.751  0.8145 
1 1 1 23 8  20 o 7  3.36211e+01 1.06614e+01 3.90129e+01 64.304  1.02757e+00  2.13553e+00  0.00000e+00 0.00000e+00 2.83389e+01 64.304  1.06740e+01 244.304 0.7501 
1 1 1 23 8  21 o 12 1.03232e+02 8.26362e+00 9.39924e+01 270.421 1.43435e-01  -1.95404e+01 0.00000e+00 0.00000e+00 1.74093e+02 270.421 8.01001e+01 270.421 0.9741 
1 1 1 23 8  22 o 3  1.05451e+02 8.13427e+00 1.04068e+02 271.365 5.70662e-01  -2.39514e+01 0.00000e+00 0.00000e+00 1.70628e+02 271.365 6.65598e+01 271.365 0.9789 
1 1 1 23 8  23 o 18 6.77909e+01 1.18117e+01 5.19302e+01 266.412 -3.93979e-01 -6.28333e+00 0.00000e+00 0.00000e+00 1.13124e+02 266.412 6.11943e+01 266.412 0.9167 
1 1 1 23 8  24 o 15 6.72127e+01 1.19136e+01 1.07181e+02 200.737 -1.24306e+01 -4.70632e+00 0.00000e+00 0.00000e+00 6.41316e+01 200.737 4.30497e+01 20.737  0.9616 
1 1 1 23 8  25 o 10 7.43894e+01 1.13430e+01 1.06120e+02 321.192 1.24102e+01  -9.98076e+00 0.00000e+00 0.00000e+00 8.43563e+01 321.192 2.17636e+01 141.192 0.9681 
1 1 1 23 8  26 o 12 3.76930e+01 1.14263e+01 4.96955e+01 359.402 3.74553e+00  -3.90700e-02 0.00000e+00 0.00000e+00 3.51570e+01 359.402 1.45384e+01 179.402 0.8530 
1 1 1 23 8  27 f 0  4.58728e+01 1.21519e+01 3.75324e+01 234.313 -1.90904e+00 -2.65795e+00 0.00000e+00 0.00000e+00 6.25137e+01 234.313 2.49813e+01 234.313 0.8283 
1 1 1 23 8  28 o 2  3.91982e+01 1.13495e+01 3.20327e+01 304.317 1.51242e+00  -2.21575e+00 0.00000e+00 0.00000e+00 4.86429e+01 304.317 1.66102e+01 304.317 0.7835 
1 1 1 23 8  29 o 13 9.75624e+01 9.47936e+00 9.99433e+01 123.634 -1.33632e+01 2.00877e+01  0.00000e+00 0.00000e+00 1.50357e+02 123.634 5.04138e+01 123.634 0.9791 
1 1 1 23 8  30 o 3  5.17495e+01 1.27206e+01 8.81597e+01 97.080  -1.11025e+00 8.93929e+00  0.00000e+00 0.00000e+00 3.93572e+01 97.080  4.88025e+01 277.080 0.9427 
1 1 1 23 8  31 o 19 4.02548e+01 1.18042e+01 5.65716e+01 110.810 -1.84268e+00 4.84835e+00  0.00000e+00 0.00000e+00 3.76167e+01 110.810 1.89549e+01 290.810 0.8975 
1 1 1 23 9  0  o 5  3.41732e+01 2.11141e+01 8.44362e+00 0.000   1.82367e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.34572e+00 0.000   9.78967e-02 180.000 0.1804 
1 1 1 23 9  1  o 10 7.40322e+01 1.30635e+01 8.50735e+01 349.116 8.58938e+00  -1.65149e+00 0.00000e+00 0.00000e+00 1.04665e+02 349.116 1.95920e+01 349.116 0.9410 
1 1 1 23 9  2  o 11 3.67500e+01 1.14751e+01 2.77883e+01 296.535 6.83661e-01  -1.36912e+00 0.00000e+00 0.00000e+00 3.26159e+01 296.535 4.82760e+00 296.535 0.6035 
1 1 1 23 9  3  o 16 4.82876e+01 1.34670e+01 8.13606e+01 192.061 -5.22343e+00 -1.11606e+00 0.00000e+00 0.00000e+00 3.70648e+01 192.061 4.42958e+01 12.061  0.9007 
1 1 1 23 9  4  o 16 5.69415e+01 1.28670e+01 5.23714e+01 209.287 -3.60077e+00 -2.01959e+00 0.00000e+00 0.00000e+00 8.22057e+01 209.287 2.98343e+01 209.287 0.8683 
1 1 1 23 9  5  o 14 8.16468e+01 1.18618e+01 5.13827e+01 179.155 -6.08347e+00 8.97348e-02  0.00000e+00 0.00000e+00 1.51586e+02 179.155 1.00203e+02 179.155 0.9136 
1 1 1 23 9  6  o 3  4.73560e+01 1.31112e+01 8.66715e+01 157.125 -5.15742e+00 2.17590e+00  0.00000e+00 0.00000e+00 2.99621e+01 157.125 5.67094e+01 337.125 0.9056 
1 1 1 23 9  7  f 0  7.67194e+01 1.28135e+01 6.33498e+01 336.038 6.13242e+00  -2.72539e+00 0.00000e+00 0.00000e+00 1.28946e+02 336.038 6.55958e+01 336.038 0.9222 
1 1 1 23 9  8  o 3  3.87918e+01 1.23529e+01 3.72567e+01 67.842  7.67501e-01  1.88468e+00  0.00000e+00 0.00000e+00 3.68646e+01 67.842  3.92141e-01 247.842 0.7034 
1 1 1 23 9  9  o 13 4.04787e+01 1.19307e+01 4.17964e+01 238.161 -1.27820e+00 -2.05838e+00 0.00000e+00 0.00000e+00 4.13055e+01 238.161 4.90868e-01 58.161  0.7563 
1 1 1 23 9  10 o 2  1.06010e+02 9.62523e+00 1.30552e+02 0.834   2.48986e+01  3.62235e-01  0.00000e+00 0.00000e+00 1.51125e+02 0.834   2.05729e+01 0.834   0.9797 
1 1 1 23 9  11 o 13 4.51357e+01 1.26695e+01 3.59022e+01 218.731 -1.94535e+00 -1.56023e+00 0.00000e+00 0.00000e+00 5.75747e+01 218.731 2.16725e+01 218.731 0.7643 
1 1 1 23 9  12 o 15 8.69412e+01 1.05362e+01 9.35821e+01 359.805 1.39079e+01  -4.72372e-02 0.00000e+00 0.00000e+00 1.33139e+02 359.805 3.95564e+01 359.805 0.9634 
1 1 1 23 9  13 o 15 4.80571e+01 1.26117e+01 6.93489e+01 42.751  3.74241e+00  3.45956e+00  0.00000e+00 0.00000e+00 4.70292e+01 42.751  2.23197e+01 222.751 0.8956 
1 1 1 23 9  14 o 15 8.16190e+01 1.05745e+01 1.31453e+02 216.571 -1.45371e+01 -1.07846e+01 0.00000e+00 0.00000e+00 8.28129e+01 216.571 4.86397e+01 36.571  0.9720 
1 1 1 23 9  15 o 1  4.90103e+01 1.25187e+01 7.69269e+01 154.475 -5.23136e+00 2.49802e+00  0.00000e+00 0.00000e+00 4.32597e+01 154.475 3.36672e+01 334.475 0.9091 
1 1 1 23 9  16 o 17 5.43958e+01 1.27263e+01 7.88014e+01 143.294 -5.20364e+00 3.87949e+00  0.00000e+00 0.00000e+00 5.59199e+01 143.294 2.28815e+01 323.294 0.9194 
1 1 1 23 9  17 o 18 3.53617e+01 1.10205e+01 5.45306e+01 157.518 -3.16906e+00 1.31147e+00  0.00000e+00 0.00000e+00 2.51225e+01 157.518 2.94081e+01 337.518 0.8373 
1 1 1 23 9  18 o 13 3.80174e+01 1.12480e+01 4.05327e+01 76.942  6.08609e-01  2.62408e+00  0.00000e+00 0.00000e+00 3.95793e+01 76.942  9.53358e-01 256.942 0.7845 
1 1 1 23 9  19 f 0  4.28827e+01 1.21066e+01 5.06466e+01 34.785  3.16863e+00  2.20105e+00  0.00000e+00 0.00000e+00 4.80045e+01 34.785  2.64215e+00 214.785 0.8578 
1 1 1 23 9  20 o 11 7.57471e+01 1.10805e+01 6.42322e+01 235.348 -5.17960e+00 -7.49375e+00 0.00000e+00 0.00000e+00 1.27083e+02 235.348 6.28504e+01 235.348 0.9434 
1 1 1 23 9  21 o 18 5.10262e+01 1.23419e+01 6.72798e+01 50.044  3.98653e+00  4.75838e+00  0.00000e+00 0.00000e+00 5.75603e+01 50.044  9.71951e+00 230.044 0.9155 
1 1 1 23 9  22 o 18 3.40073e+01 1.09224e+01 9.14023e+00 57.271  3.28200e-01  5.10659e-01  0.00000e+00 0.00000e+00 1.71985e+01 57.271  8.05826e+00 57.271  0.2903 
1 1 1 23 9  23 o 17 5.80713e+01 1.26684e+01 7.76049e+01 112.478 -3.20262e+00 7.74031e+00  0.00000e+00 0.00000e+00 6.74571e+01 112.478 1.01478e+01 292.478 0.9383 
1 1 1 23 9  24 f 0  3.33331e+01 1.07132e+01 1.96128e+01 43.583  9.89102e-01  9.41352e-01  0.00000e+00 0.00000e+00 3.00786e+01 43.583  1.04658e+01 43.583  0.5611 
1 1 1 23 9  25 o 4  7.17600e+01 1.15812e+01 9.10586e+01 282.409 2.97843e+00  -1.35365e+01 0.00000e+00 0.00000e+00 9.22060e+01 282.409 1.14734e+00 282.409 0.9632 
1 1 1 23 9  26 o 15 4.14685e+01 1.20546e+01 2.12181e+01 162.920 -1.71938e+00 5.28279e-01  0.00000e+00 0.00000e+00 5.13845e+01 162.920 3.01663e+01 162.920 0.6618 
1 1 1 23 9  27 o 3  9.53323e+01 9.00846e+00 1.34046e+02 188.701 -3.22694e+01 -4.93836e+00 0.00000e+00 0.00000e+00 1.13699e+02 188.701 2.03463e+01 8.701   0.9846 
1 1 1 23 9  28 o 8  3.70330e+01 1.14089e+01 4.14369e+01 211.046 -2.83352e+00 -1.70563e+00 0.00000e+00 0.00000e+00 3.95377e+01 211.046 1.89917e+00 31.046  0.8304 
1 1 1 23 9  29 o 3  4.61163e+01 1.25133e+01 3.07781e+01 78.273  6.26059e-01  3.01596e+00  0.00000e+00 0.00000e+00 6.80395e+01 78.273  3.72614e+01 78.273  0.8157 
1 1 1 23 10 0  o 2  3.41671e+01 2.11704e+01 4.13172e+01 0.000   9.59920e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.81331e+01 0.000   1.31841e+01 180.000 0.7442 
1 1 1 23 10 1  o 7  1.12071e+02 9.26912e+00 1.19679e+02 124.926 -1.40454e+01 2.01142e+01  0.00000e+00 0.00000e+00 1.80091e+02 124.926 6.04119e+01 124.926 0.9794 
1 1 1 23 10 2  o 2  2.95423e+01 1.00363e+01 3.22657e+01 22.850  1.54856e+00  6.52547e-01  0.00000e+00 0.00000e+00 1.91768e+01 22.850  1.30889e+01 202.850 0.6377 
1 1 1 23 10 3  o 5  5.05132e+01 1.36991e+01 5.09463e+01 259.194 -7.02882e-01 -3.68273e+00 0.00000e+00 0.00000e+00 6.67075e+01 259.194 1.57612e+01 259.194 0.8531 
1 1 1 23 10 4  o 17 4.95499e+01 1.33741e+01 8.51854e+01 328.691 5.34231e+00  -3.24926e+00 0.00000e+00 0.00000e+00 3.87075e+01 328.691 4.64779e+01 148.692 0.9161 
1 1 1 23 10 5  o 7  5.90970e+01 1.35555e+01 9.84283e+01 5.276   8.48614e+00  7.83621e-01  0.00000e+00 0.00000e+00 5.30253e+01 5.276   4.54030e+01 185.276 0.9394 
1 1 1 23 10 6  o 2  4.65862e+01 1.29409e+01 7.71264e+01 192.372 -5.29463e+00 -1.16136e+00 0.00000e+00 0.00000e+00 3.75002e+01 192.372 3.96262e+01 12.372  0.9023 
1 1 1 23 10 7  o 11 5.44006e+01 1.30912e+01 4.24723e+01 199.948 -3.24443e+00 -1.17752e+00 0.00000e+00 0.00000e+00 8.18521e+01 199.948 3.93797e+01 199.948 0.8385 
1 1 1 23 10 8  o 9  3.84119e+01 1.14160e+01 4.12564e+01 236.109 -1.43702e+00 -2.13921e+00 0.00000e+00 0.00000e+00 3.96287e+01 236.109 1.62774e+00 56.109  0.7731 
1 1 1 23 10 9  o 4  6.33138e+01 1.19554e+01 8.06939e+01 267.351 -3.72593e-01 -8.05296e+00 0.00000e+00 0.00000e+00 8.05536e+01 267.351 1.40306e-01 87.351  0.9358 
1 1 1 23 10 10 o 1  1.11225e+02 8.05605e+00 1.60594e+02 44.039  2.45186e+01  2.37093e+01  0.00000e+00 0.00000e+00 1.37409e+02 44.039  2.31850e+01 224.039 0.9852 
1 1 1 23 10 11 o 10 3.49218e+01 1.11095e+01 5.34720e+01 126.021 -1.81416e+00 2.49501e+00  0.00000e+00 0.00000e+00 2.39578e+01 126.021 2.95141e+01 306.021 0.8161 
1 1 1 23 10 12 o 9  9.96805e+01 8.87700e+00 1.16035e+02 157.864 -1.95859e+01 7.96728e+00  0.00000e+00 0.00000e+00 1.48048e+02 157.864 3.20138e+01 157.864 0.9761 
1 1 1 23 10 13 o 12 5.78794e+01 1.20325e+01 6.93018e+01 280.136 1.19156e+00  -6.66516e+00 0.00000e+00 0.00000e+00 7.55270e+01 280.136 6.22520e+00 280.136 0.9229 
1 1 1 23 10 14 o 5  6.71128e+01 1.22918e+01 9.21467e+01 128.933 -6.44254e+00 7.97481e+00  0.00000e+00 0.00000e+00 8.05022e+01 128.933 1.16445e+01 308.933 0.9499 
1 1 1 23 10 15 o 8  6.05699e+01 1.07518e+01 8.52843e+01 244.301 -4.01695e+00 -8.34686e+00 0.00000e+00 0.00000e+00 6.94324e+01 244.301 1.58519e+01 64.301  0.9444 
1 1 1 23 10 16 o 6  1.10069e+02 8.05316e+00 1.58969e+02 230.153 -2.47625e+01 -2.96715e+01 0.00000e+00 0.00000e+00 1.34477e+02 230.153 2.44921e+01 50.153  0.9870 
1 1 1 23 10 17 o 16 3.27909e+01 1.06465e+01 3.22757e+01 68.867  7.32612e-01  1.89531e+00  0.00000e+00 0.00000e+00 2.99000e+01 68.867  2.37571e+00 248.867 0.7030 
1 1 1 23 10 18 o 18 4.92416e+01 1.27072e+01 6.36625e+01 36.355  4.47028e+00  3.29033e+00  0.00000e+00 0.00000e+00 5.63281e+01 36.355  7.33441e+00 216.355 0.9048 
1 1 1 23 10 19 o 16 4.31839e+01 1.23078e+01 8.56031e+01 91.594  -1.85599e-01 6.67091e+00  0.00000e+00 0.00000e+00 2.14250e+01 91.594  6.41781e+01 271.594 0.9217 
1 1 1 23 10 20 f 0  5.08232e+01 1.28153e+01 7.27938e+01 338.044 6.33192e+00  -2.55264e+00 0.00000e+00 0.00000e+00 5.32090e+01 338.044 1.95848e+01 158.044 0.9235 
1 1 1 23 10 21 o 4  9.46504e+01 9.42080e+00 9.40723e+01 0.398   2.01496e+01  1.39856e-01  0.00000e+00 0.00000e+00 1.53189e+02 0.398   5.91162e+01 0.398   0.9749 
1 1 1 23 10 22 o 12 1.00127e+02 8.84296e+00 1.03401e+02 253.338 -6.89301e+00 -2.30304e+01 0.00000e+00 0.00000e+00 1.58784e+02 253.338 5.53835e+01 253.338 0.9790 
1 1 1 23 10 23 o 10 8.07198e+01 1.09054e+01 9.76079e+01 10.833  1.71244e+01  3.27675e+00  0.00000e+00 0.00000e+00 1.11605e+02 10.833  1.39976e+01 10.833  0.9709 
1 1 1 23 10 24 o 4  5.22706e+01 1.25931e+01 5.05001e+01 136.403 -3.88862e+00 3.70270e+00  0.00000e+00 0.00000e+00 7.50127e+01 136.403 2.45125e+01 136.403 0.9013 
1 1 1 23 10 25 o 4  4.78560e+01 1.26755e+01 1.09125e+02 75.705  2.59492e+00  1.01838e+01  0.00000e+00 0.00000e+00 1.18889e+01 75.705  9.72358e+01 255.705 0.9512 
1 1 1 23 10 26 o 12 6.69628e+01 1.20546e+01 6.44088e+01 167.500 -8.69863e+00 1.92837e+00  0.00000e+00 0.00000e+00 1.02936e+02 167.500 3.85276e+01 167.500 0.9421 
1 1 1 23 10 27 o 12 9.05093e+01 9.67302e+00 9.61708e+01 202.231 -2.13370e+01 -8.72088e+00 0.00000e+00 0.00000e+00 1.38119e+02 202.231 4.19487e+01 202.231 0.9781 
1 1 1 23 11 0  o 13 2.41625e+01 1.65172e+01 1.64186e+00 0.000   3.18693e-02  0.00000e+00  0.00000e+00 0.00000e+00 4.66840e-01 0.000   1.17502e+00 180.000 0.0319 
1 1 1 23 11 1  o 14 1.27685e+02 9.44819e+00 1.93898e+02 105.127 -1.15799e+01 4.28363e+01  0.00000e+00 0.00000e+00 1.51897e+02 105.127 4.20008e+01 285.127 0.9887 
1 1 1 23 11 2  o 11 1.25789e+02 8.82401e+00 1.68803e+02 45.666  2.73469e+01  2.79904e+01  0.00000e+00 0.00000e+00 1.71288e+02 45.666  2.48421e+00 45.666  0.9871 
1 1 1 23 11 3  o 3  1.16163e+02 9.94178e+00 1.58323e+02 242.824 -1.46893e+01 -2.86115e+01 0.00000e+00 0.00000e+00 1.54782e+02 242.824 3.54045e+00 62.824  0.9843 
1 1 1 23 11 4  o 3  3.34071e+01 1.09519e+01 7.33740e+01 69.492  1.42789e+00  3.81748e+00  0.00000e+00 0.00000e+00 5.85664e+00 69.492  6.75174e+01 249.492 0.8664 
1 1 1 23 11 5  o 2  3.42461e+01 1.11013e+01 2.45065e+01 359.898 1.49676e+00  -2.65351e-03 0.00000e+00 0.00000e+00 3.12825e+01 359.898 6.77596e+00 359.898 0.5953 
1 1 1 23 11 6  o 19 8.70144e+01 1.09186e+01 1.12313e+02 176.530 -1.75406e+01 1.06364e+00  0.00000e+00 0.00000e+00 1.18806e+02 176.530 6.49249e+00 176.530 0.9711 
1 1 1 23 11 7  f 0  3.99755e+01 1.22297e+01 9.34987e+01 35.960  5.05309e+00  3.66591e+00  0.00000e+00 0.00000e+00 6.59537e+00 35.960  8.69033e+01 215.960 0.9160 
1 1 1 23 11 8  o 8  7.37452e+01 1.18299e+01 8.02089e+01 86.043  6.95583e-01  1.00558e+01  0.00000e+00 0.00000e+00 1.10978e+02 86.043  3.07692e+01 86.043  0.9490 
1 1 1 23 11 9  o 18 6.94145e+01 1.20139e+01 9.68745e+01 281.964 2.34580e+00  -1.10706e+01 0.00000e+00 0.00000e+00 8.40370e+01 281.964 1.28376e+01 101.964 0.9547 
1 1 1 23 11 10 o 10 3.56946e+01 1.12598e+01 4.04481e+01 0.675   2.70688e+00  3.18988e-02  0.00000e+00 0.00000e+00 3.60530e+01 0.675   4.39517e+00 180.675 0.7858 
1 1 1 23 11 11 o 12 5.83449e+01 1.24001e+01 3.33425e+01 240.049 -1.69882e+00 -2.94831e+00 0.00000e+00 0.00000e+00 9.95550e+01 240.049 6.62125e+01 240.049 0.8359 
1 1 1 23 11 12 f 0  3.48573e+01 1.08306e+01 3.27661e+01 274.313 1.63980e-01  -2.17427e+00 0.00000e+00 0.00000e+00 3.60604e+01 274.313 3.29432e+00 274.313 0.7253 
1 1 1 23 11 13 o 15 4.00869e+01 1.18538e+01 5.02005e+01 105.007 -9.75851e-01 3.64008e+00  0.00000e+00 0.00000e+00 4.28976e+01 105.007 7.30290e+00 285.007 0.8540 
1 1 1 23 11 14 o 14 4.78963e+01 1.25393e+01 3.27882e+01 294.055 1.14597e+00  -2.56724e+00 0.00000e+00 0.00000e+00 7.06434e+01 294.055 3.78552e+01 294.055 0.7950 
1 1 1 23 11 15 o 18 6.90258e+01 1.21368e+01 7.63807e+01 26.204  9.17138e+00  4.51365e+00  0.00000e+00 0.00000e+00 1.01469e+02 26.204  2.50887e+01 26.204  0.9497 
1 1 1 23 11 16 o 4  5.44529e+01 1.29491e+01 7.85460e+01 62.474  3.62458e+00  6.95512e+00  0.00000e+00 0.00000e+00 5.92277e+01 62.474  1.93183e+01 242.474 0.9339 
1 1 1 23 11 17 o 15 7.12935e+01 1.03516e+01 8.94658e+01 47.378  9.27809e+00  1.00820e+01  0.00000e+00 0.00000e+00 9.62352e+01 47.378  6.76949e+00 47.378  0.9628 
1 1 1 23 11 18 o 4  8.09696e+01 1.10638e+01 1.03516e+02 169.277 -1.69117e+01 3.20244e+00  0.00000e+00 0.00000e+00 1.08758e+02 169.277 5.24252e+00 169.277 0.9705 
1 1 1 23 11 19 o 18 3.61988e+01 1.14006e+01 4.66075e+01 105.424 -9.67240e-01 3.50572e+00  0.00000e+00 0.00000e+00 3.61761e+01 105.424 1.04314e+01 285.424 0.8479 
1 1 1 23 11 20 o 8  7.98622e+01 1.11383e+01 1.20045e+02 222.764 -1.53622e+01 -1.42078e+01 0.00000e+00 0.00000e+00 8.97809e+01 222.764 3.02641e+01 42.764  0.9758 
1 1 1 23 11 21 o 8  8.14246e+01 1.08231e+01 9.98853e+01 298.549 8.92556e+00  -1.64052e+01 0.00000e+00 0.00000e+00 1.13020e+02 298.549 1.31350e+01 298.549 0.9728 
1 1 1 23 11 22 o 6  5.35714e+01 1.23569e+01 6.75334e+01 333.299 6.65733e+00  -3.34846e+00 0.00000e+00 0.00000e+00 6.61625e+01 333.299 1.37091e+00 153.299 0.9303 
1 1 1 23 11 23 o 18 3.59765e+01 1.12088e+01 4.32177e+01 281.740 6.93182e-01  -3.33544e+00 0.00000e+00 0.00000e+00 3.73208e+01 281.740 5.89697e+00 101.740 0.8361 
1 1 1 23 11 24 o 5  5.70097e+01 1.29034e+01 7.23858e+01 265.112 -7.43118e-01 -8.68900e+00 0.00000e+00 0.00000e+00 7.09313e+01 265.112 1.45451e+00 85.112  0.9408 
1 1 1 23 11 25 o 17 6.67032e+01 3.06564e+01 5.20965e+01 160.130 -2.16949e+00 7.84048e-01  0.00000e+00 0.00000e+00 7.99219e+01 160.130 2.78254e+01 160.130 0.7422 
1 1 1 23 12 0  o 14 3.12065e+01 1.93947e+01 4.38044e+00 180.000 -1.10299e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.04126e+00 180.000 6.60816e-01 180.000 0.1099 
1 1 1 23 12 1  f 0  3.65544e+01 1.16107e+01 4.43555e+01 2.160   2.96450e+00  1.11799e-01  0.00000e+00 0.00000e+00 3.67638e+01 2.160   7.59178e+00 182.160 0.8075 
1 1 1 23 12 2  o 6  2.78543e+01 9.53939e+00 6.37001e+01 217.625 -2.88810e+00 -2.22617e+00 0.00000e+00 0.00000e+00 1.23652e+00 217.625 6.24635e+01 37.625  0.8484 
1 1 1 23 12 3  o 18 4.05873e+01 1.18450e+01 3.88992e+01 52.909  1.79092e+00  2.36882e+00  0.00000e+00 0.00000e+00 5.11640e+01 52.909  1.22648e+01 52.909  0.8077 
1 1 1 23 12 4  o 6  4.97853e+01 1.25495e+01 6.12207e+01 49.881  3.53400e+00  4.19399e+00  0.00000e+00 0.00000e+00 6.23198e+01 49.881  1.09910e+00 49.881  0.9035 
1 1 1 23 12 5  o 7  3.31811e+01 1.07568e+01 1.61750e+01 241.821 -5.07910e-01 -9.48072e-01 0.00000e+00 0.00000e+00 2.68691e+01 241.821 1.06941e+01 241.821 0.4725 
1 1 1 23 12 6  o 16 6.19428e+01 1.34048e+01 4.88094e+01 29.587  4.47468e+00  2.54060e+00  0.00000e+00 0.00000e+00 1.03599e+02 29.587  5.47898e+01 29.587  0.8967 
1 1 1 23 12 7  f 0  6.87538e+01 1.27776e+01 6.90602e+01 309.906 5.38255e+00  -6.43604e+00 0.00000e+00 0.00000e+00 1.07877e+02 309.906 3.88166e+01 309.906 0.9384 
1 1 1 23 12 8  o 3  5.37115e+01 1.15343e+01 4.27404e+01 177.762 -4.36497e+00 1.70549e-01  0.00000e+00 0.00000e+00 8.62637e+01 177.762 4.35232e+01 177.762 0.8763 
1 1 1 23 12 9  o 14 5.08125e+01 1.26374e+01 5.93854e+01 123.187 -3.10399e+00 4.74582e+00  0.00000e+00 0.00000e+00 6.68236e+01 123.187 7.43823e+00 123.187 0.9069 
1 1 1 23 12 10 o 2  3.75706e+01 1.13643e+01 4.95833e+01 161.155 -3.58715e+00 1.22434e+00  0.00000e+00 0.00000e+00 3.83155e+01 161.155 1.12678e+01 341.154 0.8549 
1 1 1 23 12 11 f 0  4.34582e+01 1.28173e+01 6.92030e+01 190.072 -5.47488e+00 -9.72447e-01 0.00000e+00 0.00000e+00 3.83183e+01 190.072 3.08847e+01 10.072  0.9049 
1 1 1 23 12 12 o 18 5.85197e+01 1.35510e+01 9.24002e+01 341.564 9.04328e+00  -3.01462e+00 0.00000e+00 0.00000e+00 5.88037e+01 341.564 3.35965e+01 161.564 0.9460 
1 1 1 23 12 13 f 0  3.12874e+01 1.05860e+01 6.12778e+01 6.973   4.03942e+00  4.94037e-01  0.00000e+00 0.00000e+00 1.26593e+01 6.973   4.86185e+01 186.973 0.8661 
1 1 1 23 12 14 o 12 2.95517e+01 9.96361e+00 2.50170e+01 132.570 -1.09812e+00 1.19544e+00  0.00000e+00 0.00000e+00 2.53295e+01 132.570 3.12496e-01 132.570 0.6252 
1 1 1 23 12 15 o 9  4.35750e+01 1.26134e+01 6.28851e+01 81.105  8.41809e-01  5.37869e+00  0.00000e+00 0.00000e+00 4.41835e+01 81.105  1.87017e+01 261.105 0.9028 
1 1 1 23 12 16 o 12 4.13837e+01 1.18249e+01 5.71413e+01 90.969  -8.34788e-02 4.93789e+00  0.00000e+00 0.00000e+00 4.31900e+01 90.969  1.39513e+01 270.968 0.8919 
1 1 1 23 12 17 o 7  3.90801e+01 1.16967e+01 5.75888e+01 30.549  4.20433e+00  2.48135e+00  0.00000e+00 0.00000e+00 3.68780e+01 30.549  2.07107e+01 210.549 0.8906 
1 1 1 23 12 18 o 10 3.32196e+01 1.06894e+01 4.86684e+01 235.864 -2.09885e+00 -3.09579e+00 0.00000e+00 0.00000e+00 2.81041e+01 235.864 2.05643e+01 55.864  0.8527 
1 1 1 23 12 19 o 14 3.21356e+01 1.04579e+01 8.79777e+01 333.122 5.83288e+00  -2.95636e+00 0.00000e+00 0.00000e+00 7.97963e+00 153.122 9.59573e+01 153.122 0.9200 
1 1 1 23 12 20 o 11 3.52191e+01 1.09700e+01 2.99347e+01 240.762 -1.14605e+00 -2.04741e+00 0.00000e+00 0.00000e+00 4.11521e+01 240.762 1.12174e+01 240.762 0.7472 
1 1 1 23 12 21 o 10 3.47264e+01 1.09625e+01 4.66132e+01 191.906 -3.85163e+00 -8.12120e-01 0.00000e+00 0.00000e+00 3.40145e+01 191.906 1.25988e+01 11.906  0.8610 
1 1 1 23 13 0  o 14 5.33158e+01 2.21766e+01 3.18207e+01 180.000 -1.29768e+00 0.00000e+00  0.00000e+00 0.00000e+00 9.48086e+01 180.000 6.29879e+01 180.000 0.8611 
1 1 1 23 13 1  o 12 4.35832e+01 1.23808e+01 6.24484e+01 169.003 -5.07912e+00 9.87025e-01  0.00000e+00 0.00000e+00 4.54056e+01 169.003 1.70429e+01 349.003 0.8973 
1 1 1 23 13 2  o 9  2.72239e+01 9.35791e+00 3.15524e+01 296.615 8.83427e-01  -1.76300e+00 0.00000e+00 0.00000e+00 2.04822e+01 296.615 1.10703e+01 116.615 0.6931 
1 1 1 23 13 3  o 11 3.59822e+01 1.13018e+01 2.40990e+01 333.992 1.58629e+00  -7.73967e-01 0.00000e+00 0.00000e+00 4.08958e+01 333.992 1.67968e+01 333.992 0.6552 
1 1 1 23 13 4  o 15 4.65045e+01 1.22771e+01 5.48800e+01 88.468  1.30366e-01  4.87419e+00  0.00000e+00 0.00000e+00 5.92511e+01 88.468  4.37115e+00 88.468  0.8904 
1 1 1 23 13 5  o 6  4.89468e+01 1.25343e+01 5.53717e+01 305.260 2.93679e+00  -4.15386e+00 0.00000e+00 0.00000e+00 6.53733e+01 305.260 1.00016e+01 305.260 0.8954 
1 1 1 23 13 6  o 15 5.23251e+01 1.26170e+01 3.86427e+01 351.574 3.72952e+00  -5.52485e-01 0.00000e+00 0.00000e+00 8.44236e+01 351.574 4.57809e+01 351.574 0.8541 
1 1 1 23 13 7  o 13 5.97021e+01 1.31527e+01 8.94962e+01 184.628 -1.02194e+01 -8.27345e-01 0.00000e+00 0.00000e+00 6.65897e+01 184.628 2.29064e+01 4.628   0.9499 
1 1 1 23 13 8  o 12 4.14849e+01 1.21113e+01 6.03427e+01 17.304  4.92037e+00  1.53286e+00  0.00000e+00 0.00000e+00 4.19895e+01 17.304  1.83532e+01 197.303 0.8968 
1 1 1 23 13 9  o 13 2.95742e+01 9.94493e+00 4.30496e+01 90.424  -2.23897e-02 3.02407e+00  0.00000e+00 0.00000e+00 2.29334e+01 90.424  2.01161e+01 270.424 0.8118 
1 1 1 23 13 10 o 16 4.03483e+01 1.17318e+01 1.60011e+01 112.059 -5.10168e-01 1.25900e+00  0.00000e+00 0.00000e+00 4.59551e+01 112.059 2.99539e+01 112.059 0.5591 
1 1 1 23 13 11 o 15 4.43018e+01 1.26065e+01 4.59105e+01 226.908 -2.83440e+00 -3.02971e+00 0.00000e+00 0.00000e+00 5.97206e+01 226.908 1.38101e+01 226.908 0.8690 
1 1 1 23 13 12 o 15 4.94881e+01 1.29552e+01 5.92339e+01 207.838 -5.14720e+00 -2.71814e+00 0.00000e+00 0.00000e+00 6.41359e+01 207.838 4.90200e+00 207.838 0.9095 
1 1 1 23 13 13 o 10 4.81885e+01 1.27563e+01 5.31345e+01 154.506 -4.64238e+00 2.21370e+00  0.00000e+00 0.00000e+00 6.51664e+01 154.506 1.20319e+01 154.506 0.8966 
1 1 1 23 13 14 o 13 5.98993e+01 1.34762e+01 9.66036e+01 190.984 -1.07243e+01 -2.08142e+00 0.00000e+00 0.00000e+00 5.95265e+01 190.984 3.70771e+01 10.984  0.9531 
1 1 1 23 13 15 o 6  3.04493e+01 1.02984e+01 3.56045e+01 39.249  1.96173e+00  1.60276e+00  0.00000e+00 0.00000e+00 2.83180e+01 39.249  7.28648e+00 219.249 0.7686 
1 1 1 23 13 16 o 4  3.10571e+01 1.05297e+01 4.95240e+01 89.270  4.93732e-02  3.87683e+00  0.00000e+00 0.00000e+00 2.32174e+01 89.270  2.63066e+01 269.270 0.8586 
1 1 1 23 13 17 o 18 4.51525e+01 1.34040e+01 4.43673e+01 277.447 5.27812e-01  -4.03798e+00 0.00000e+00 0.00000e+00 6.21747e+01 277.447 1.78074e+01 277.447 0.8662 
1 1 1 23 14 0  o 4  3.97171e+01 2.15006e+01 6.92401e+00 0.000   2.30313e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.79640e+01 0.000   1.10400e+01 0.000   0.2263 
1 1 1 23 14 1  o 8  4.96906e+01 1.29035e+01 6.37137e+01 20.196  5.85382e+00  2.15335e+00  0.00000e+00 0.00000e+00 6.22894e+01 20.196  1.42435e+00 200.196 0.9159 
1 1 1 23 14 2  o 2  3.95477e+01 1.19112e+01 1.22182e+01 302.381 5.46339e-01  -8.61530e-01 0.00000e+00 0.00000e+00 3.74284e+01 302.381 2.52102e+01 302.381 0.4535 
1 1 1 23 14 3  f 0  5.51758e+01 1.31054e+01 9.87010e+01 352.866 1.04875e+01  -1.31254e+00 0.00000e+00 0.00000e+00 4.65919e+01 352.866 5.21091e+01 172.866 0.9514 
1 1 1 23 14 4  o 1  4.75434e+01 1.30137e+01 2.55475e+01 242.416 -1.09787e+00 -2.10144e+00 0.00000e+00 0.00000e+00 7.31361e+01 242.416 4.75885e+01 242.416 0.7502 
1 1 1 23 14 5  o 13 7.58488e+01 1.16386e+01 8.19640e+01 253.240 -3.84817e+00 -1.27779e+01 0.00000e+00 0.00000e+00 1.19794e+02 253.240 3.78300e+01 253.240 0.9618 
1 1 1 23 14 6  o 5  3.94352e+01 1.15007e+01 2.03101e+01 335.261 1.57442e+00  -7.25435e-01 0.00000e+00 0.00000e+00 5.04178e+01 335.261 3.01077e+01 335.261 0.6488 
1 1 1 23 14 7  o 17 4.52749e+01 1.26352e+01 8.33101e+01 174.310 -7.49843e+00 7.47059e-01  0.00000e+00 0.00000e+00 3.31558e+01 174.310 5.01542e+01 354.310 0.9311 
1 1 1 23 14 8  o 4  5.12603e+01 1.29865e+01 6.97079e+01 349.919 6.84806e+00  -1.21753e+00 0.00000e+00 0.00000e+00 6.12157e+01 349.919 8.49222e+00 169.919 0.9250 
1 1 1 23 14 9  o 4  8.07566e+01 1.16720e+01 9.93237e+01 171.916 -1.84353e+01 2.61846e+00  0.00000e+00 0.00000e+00 1.17421e+02 171.916 1.80971e+01 171.916 0.9728 
1 1 1 23 14 10 o 2  3.36677e+01 1.10206e+01 4.64908e+01 104.196 -9.33428e-01 3.69001e+00  0.00000e+00 0.00000e+00 3.29252e+01 104.196 1.35657e+01 284.196 0.8556 
1 1 1 23 14 11 o 1  5.09285e+01 1.75910e+01 2.58076e+01 86.894  1.06121e-01  1.95570e+00  0.00000e+00 0.00000e+00 7.11002e+01 86.894  4.52926e+01 86.894  0.6909 
1 1 1 24 0  0  o 15 2.76070e+01 1.90883e+01 1.94794e+01 0.000   1.91937e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.28977e+00 180.000 2.47691e+01 180.000 0.1896 
1 1 1 24 0  1  o 18 2.05306e+01 1.47725e+01 1.80959e+01 225.000 -1.81171e-01 -1.81171e-01 0.00000e+00 0.00000e+00 4.14168e+00 45.000  2.22376e+01 45.000  0.2508 
1 1 1 24 0  2  o 3  1.80818e+01 1.32662e+01 4.97444e+01 270.000 -3.95198e-17 -6.45407e-01 0.00000e+00 0.00000e+00 2.18813e+01 90.000  7.16257e+01 90.000  0.5686 
1 1 1 24 0  3  o 7  5.96291e+01 2.34969e+01 2.01694e+01 135.000 -4.46504e-01 4.46504e-01  0.00000e+00 0.00000e+00 7.01584e+01 135.000 4.99890e+01 135.000 0.5591 
1 1 1 24 0  4  o 8  3.33300e+01 2.07102e+01 6.26339e+01 180.000 -1.20003e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.26333e+01 180.000 5.00006e+01 0.000   0.8337 
1 1 1 24 0  5  o 8  2.60942e+01 1.76460e+01 5.33444e+01 45.000  6.21806e-01  6.21806e-01  0.00000e+00 0.00000e+00 3.45349e+00 225.000 5.67979e+01 225.000 0.7061 
1 1 1 24 0  6  o 14 6.72828e+01 2.24782e+01 1.01259e+02 270.000 -2.25699e-16 -3.68595e+00 0.00000e+00 0.00000e+00 8.06118e+01 270.000 2.06473e+01 90.000  0.9987 
1 1 1 24 0  7  o 4  4.41465e+01 2.25531e+01 1.02216e+02 315.000 1.77481e+00  -1.77481e+00 0.00000e+00 0.00000e+00 1.56312e+01 315.000 8.65852e+01 135.000 0.9869 
1 1 1 24 0  8  o 15 1.25223e+02 1.14405e+01 1.28321e+02 0.000   1.24459e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.10185e+02 0.000   8.18645e+01 0.000   1.0000 
1 1 1 24 0  9  o 12 5.48568e+01 2.27632e+01 5.22493e+01 225.000 -1.11428e+00 -1.11428e+00 0.00000e+00 0.00000e+00 8.37730e+01 225.000 3.15237e+01 225.000 0.9179 
1 1 1 24 0  10 o 10 2.49675e+02 7.70583e+00 3.21822e+02 90.000  4.08437e-15  6.67028e+01  0.00000e+00 0.00000e+00 3.52055e+02 90.000  3.02328e+01 90.000  1.0000 
1 1 1 24 0  11 o 18 3.79524e+01 2.13792e+01 6.27919e+01 135.000 -1.05563e+00 1.05563e+00  0.00000e+00 0.00000e+00 2.97097e+01 135.000 3.30821e+01 315.000 0.9039 
1 1 1 24 0  12 o 17 3.62156e+01 2.20662e+01 1.24507e+02 180.000 -2.74696e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.77446e+01 0.000   1.52251e+02 0.000   0.9918 
1 1 1 24 0  13 o 12 2.09861e+01 1.48588e+01 6.23678e+01 225.000 -7.18114e-01 -7.18114e-01 0.00000e+00 0.00000e+00 1.89931e+01 45.000  8.13609e+01 45.000  0.7681 
1 1 1 24 0  14 o 13 1.17269e+02 1.16898e+01 1.75241e+02 270.000 -1.07915e-15 -1.76238e+01 0.00000e+00 0.00000e+00 1.39961e+02 270.000 3.52795e+01 90.000  1.0000 
1 1 1 24 0  15 o 9  5.45667e+01 2.34748e+01 8.05138e+01 135.000 -1.79654e+00 1.79654e+00  0.00000e+00 0.00000e+00 6.41624e+01 135.000 1.63513e+01 315.000 0.9877 
1 1 1 24 0  16 o 10 6.70316e+01 2.23120e+01 9.04860e+01 0.000   3.61071e+00  0.00000e+00  0.00000e+00 0.00000e+00 8.89579e+01 0.000   1.52811e+00 180.000 0.9985 
1 1 1 24 0  17 o 19 2.23593e+01 1.56964e+01 3.59228e+01 225.000 -4.20508e-01 -4.20508e-01 0.00000e+00 0.00000e+00 4.00295e+00 45.000  3.99258e+01 45.000  0.5333 
1 1 1 24 0  18 o 12 4.34194e+01 2.27553e+01 9.55813e+01 90.000  1.62385e-16  2.65195e+00  0.00000e+00 0.00000e+00 1.93332e+01 90.000  7.62481e+01 270.000 0.9901 
1 1 1 24 0  19 o 16 8.03263e+01 1.91854e+01 1.16535e+02 135.000 -4.82494e+00 4.82494e+00  0.00000e+00 0.00000e+00 9.78393e+01 135.000 1.86958e+01 315.000 1.0000 
1 1 1 24 0  20 o 15 3.89927e+01 2.19751e+01 1.91863e+01 0.000   4.87264e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.77758e+01 0.000   8.58957e+00 0.000   0.4520 
1 1 1 24 0  21 o 3  5.92484e+01 2.37818e+01 1.00956e+02 45.000  2.55872e+00  2.55872e+00  0.00000e+00 0.00000e+00 5.63954e+01 45.000  4.45601e+01 225.000 0.9986 
1 1 1 24 0  22 o 12 3.29527e+01 2.06525e+01 1.97609e+01 270.000 -2.72280e-17 -4.44667e-01 0.00000e+00 0.00000e+00 1.67620e+01 270.000 2.99886e+00 90.000  0.4175 
1 1 1 24 0  23 o 4  2.29482e+01 1.60169e+01 1.26232e+00 315.000 1.77768e-02  -1.77768e-02 0.00000e+00 0.00000e+00 2.65926e-01 315.000 9.96397e-01 135.000 0.0251 
1 1 1 24 0  24 o 9  7.81356e+01 2.03742e+01 9.13659e+01 0.000   5.21051e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.15225e+02 0.000   2.38593e+01 0.000   0.9999 
1 1 1 24 0  25 o 1  4.04690e+01 2.22988e+01 6.02817e+01 225.000 -1.22650e+00 -1.22650e+00 0.00000e+00 0.00000e+00 4.00484e+01 225.000 2.02333e+01 45.000  0.9396 
1 1 1 24 0  26 o 18 4.01526e+01 2.22609e+01 1.56797e-01 90.000  2.82775e-19  4.61807e-03  0.00000e+00 0.00000e+00 3.31390e-01 90.000  1.74593e-01 90.000  0.0046 
1 1 1 24 0  27 o 8  1.79802e+01 1.31740e+01 2.87758e+01 315.000 4.14541e-01  -4.14541e-01 0.00000e+00 0.00000e+00 3.87649e+00 135.000 3.26523e+01 135.000 0.5272 
1 1 1 24 0  28 o 1  3.43529e+01 2.09671e+01 8.27950e+01 180.000 -2.30158e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.44203e+00 180.000 7.73530e+01 0.000   0.9802 
1 1 1 24 0  29 o 3  2.38661e+01 1.65184e+01 1.00599e+01 225.000 -1.65650e-01 -1.65650e-01 0.00000e+00 0.00000e+00 4.29390e+00 225.000 5.76603e+00 45.000  0.2301 
1 1 1 24 0  30 o 13 4.06929e+01 2.21025e+01 1.68979e+01 270.000 -3.39697e-17 -5.54768e-01 0.00000e+00 0.00000e+00 3.65883e+01 270.000 1.96904e+01 270.000 0.5041 
1 1 1 24 0  31 o 11 3.45090e+01 2.08371e+01 6.90448e+00 135.000 -1.47458e-01 1.47458e-01  0.00000e+00 0.00000e+00 1.15439e+01 135.000 4.63944e+00 135.000 0.2056 
1 1 1 24 0  32 o 8  3.66229e+01 2.16693e+01 8.54639e+01 180.000 -2.59803e+00 0.00000e+00  0.00000e+00 0.00000e+00 8.47326e+00 180.000 7.69907e+01 0.000   0.9890 
1 1 1 24 0  33 o 16 2.73360e+01 1.86695e+01 5.50713e+00 225.000 -1.09615e-01 -1.09615e-01 0.00000e+00 0.00000e+00 5.36559e+00 225.000 1.41541e-01 45.000  0.1538 
1 1 1 24 1  0  o 3  3.09686e+01 1.94896e+01 2.04142e+01 180.000 -3.78488e-01 0.00000e+00  0.00000e+00 0.00000e+00 9.92779e+00 180.000 1.04864e+01 0.000   0.3614 
1 1 1 24 1  1  o 10 4.31344e+01 1.26622e+01 8.03168e+01 80.570  7.13783e-01  4.29786e+00  0.00000e+00 0.00000e+00 2.21144e+01 80.570  5.82024e+01 260.570 0.8760 
1 1 1 24 1  2  o 13 4.97213e+01 1.30228e+01 9.64934e+01 336.076 5.42664e+00  -2.40750e+00 0.00000e+00 0.00000e+00 2.63356e+01 336.076 7.01577e+01 156.076 0.9114 
1 1 1 24 1  3  o 4  4.51173e+01 1.29982e+01 2.04054e+01 292.668 4.39136e-01  -1.05141e+00 0.00000e+00 0.00000e+00 3.99488e+01 292.668 1.95434e+01 292.668 0.4936 
1 1 1 24 1  4  o 13 5.98132e+01 1.35354e+01 1.18270e+02 330.887 7.46194e+00  -4.15549e+00 0.00000e+00 0.00000e+00 3.39717e+01 330.887 8.42980e+01 150.887 0.9395 
1 1 1 24 1  5  o 5  1.20059e+02 8.66864e+00 1.71507e+02 307.505 1.83507e+01  -2.39106e+01 0.00000e+00 0.00000e+00 1.48192e+02 307.505 2.33146e+01 127.505 0.9833 
1 1 1 24 1  6  o 17 4.82054e+01 1.33088e+01 1.21460e+02 240.358 -3.64926e+00 -6.41288e+00 0.00000e+00 0.00000e+00 1.69159e-01 60.358  1.21629e+02 60.358  0.9295 
1 1 1 24 1  7  o 9  5.11419e+01 1.30413e+01 8.23021e+01 301.788 2.82199e+00  -4.55351e+00 0.00000e+00 0.00000e+00 4.23648e+01 301.788 3.99372e+01 121.788 0.9011 
1 1 1 24 1  8  o 4  8.18710e+01 1.11216e+01 1.05212e+02 43.435  8.62763e+00  8.16861e+00  0.00000e+00 0.00000e+00 1.06605e+02 43.435  1.39288e+00 43.435  0.9569 
1 1 1 24 1  9  f 0  5.18806e+01 1.27454e+01 1.16338e+02 212.622 -6.52025e+00 -4.17335e+00 0.00000e+00 0.00000e+00 1.44296e+01 212.622 1.01908e+02 32.622  0.9330 
1 1 1 24 1  10 o 19 5.28316e+01 1.28133e+01 5.55938e+01 205.510 -3.73524e+00 -1.78240e+00 0.00000e+00 0.00000e+00 6.82879e+01 205.510 1.26942e+01 205.510 0.8687 
1 1 1 24 1  11 o 11 3.16453e+01 1.04517e+01 4.91602e+01 235.240 -1.39039e+00 -2.00351e+00 0.00000e+00 0.00000e+00 1.55457e+01 235.240 3.36145e+01 55.240  0.7582 
1 1 1 24 1  12 o 13 3.27565e+01 1.07489e+01 2.38234e+01 306.933 7.22450e-01  -9.61058e-01 0.00000e+00 0.00000e+00 2.14956e+01 306.933 2.32782e+00 126.933 0.5135 
1 1 1 24 1  13 o 14 4.16767e+01 1.20477e+01 4.34140e+01 84.451  2.55845e-01  2.63358e+00  0.00000e+00 0.00000e+00 4.40754e+01 84.451  6.61467e-01 84.451  0.7800 
1 1 1 24 1  14 o 2  5.23596e+01 1.31038e+01 1.03830e+02 86.082  5.14069e-01  7.50593e+00  0.00000e+00 0.00000e+00 2.72068e+01 86.082  7.66229e+01 266.082 0.9310 
1 1 1 24 1  15 o 8  3.26350e+01 1.07080e+01 4.95930e+01 100.051 -4.35032e-01 2.45441e+00  0.00000e+00 0.00000e+00 1.73670e+01 100.051 3.22260e+01 280.051 0.7642 
1 1 1 24 1  16 o 10 5.14561e+01 1.36151e+01 4.68112e+01 6.982   3.16505e+00  3.87631e-01  0.00000e+00 0.00000e+00 6.67405e+01 6.982   1.99293e+01 6.982   0.8230 
1 1 1 24 1  17 o 5  5.66607e+01 1.36844e+01 6.61521e+01 132.611 -3.33135e+00 3.62142e+00  0.00000e+00 0.00000e+00 6.90971e+01 132.611 2.94498e+00 132.611 0.8915 
1 1 1 24 1  18 o 17 4.98746e+01 1.33326e+01 3.48480e+01 265.248 -2.13434e-01 -2.56770e+00 0.00000e+00 0.00000e+00 6.82315e+01 265.248 3.33835e+01 265.248 0.7731 
1 1 1 24 1  19 o 7  6.01918e+01 1.33789e+01 8.57761e+01 85.822  5.53336e-01  7.57539e+00  0.00000e+00 0.00000e+00 6.39030e+01 85.822  2.18731e+01 265.822 0.9316 
1 1 1 24 1  20 o 12 3.75726e+01 1.17177e+01 1.69258e+01 294.465 4.18391e-01  -9.19566e-01 0.00000e+00 0.00000e+00 2.81298e+01 294.465 1.12040e+01 294.465 0.4500 
1 1 1 24 1  21 o 4  5.40334e+01 1.37242e+01 1.13807e+02 293.262 3.49172e+00  -8.12230e+00 0.00000e+00 0.00000e+00 2.15307e+01 293.262 9.22763e+01 113.262 0.9416 
1 1 1 24 1  22 o 13 9.00541e+01 1.12080e+01 1.01728e+02 306.149 8.76669e+00  -1.20008e+01 0.00000e+00 0.00000e+00 1.29181e+02 306.149 2.74536e+01 306.149 0.9657 
1 1 1 24 1  23 o 7  3.87728e+01 1.20825e+01 2.76719e+01 213.953 -1.48311e+00 -9.98595e-01 0.00000e+00 0.00000e+00 4.01079e+01 213.953 1.24360e+01 213.953 0.6597 
1 1 1 24 1  24 o 1  5.40525e+01 1.35069e+01 7.17886e+01 152.186 -5.60232e+00 2.95552e+00  0.00000e+00 0.00000e+00 5.93277e+01 152.186 1.24610e+01 332.186 0.9173 
1 1 1 24 1  25 o 15 3.73835e+01 1.18422e+01 7.81671e+01 264.735 -4.78205e-01 -5.18983e+00 0.00000e+00 0.00000e+00 1.04310e+01 264.735 6.77361e+01 84.735  0.8981 
1 1 1 24 1  26 o 11 5.91122e+01 1.39856e+01 5.43805e+01 42.741  3.84889e+00  3.55679e+00  0.00000e+00 0.00000e+00 8.55007e+01 42.741  3.11202e+01 42.741  0.8987 
1 1 1 24 1  27 o 2  5.41149e+01 1.35375e+01 9.79121e+01 121.574 -4.88097e+00 7.94208e+00  0.00000e+00 0.00000e+00 3.63988e+01 121.574 6.15133e+01 301.574 0.9447 
1 1 1 24 1  28 o 9  5.06973e+01 1.32901e+01 4.01668e+01 214.007 -3.00535e+00 -2.02766e+00 0.00000e+00 0.00000e+00 7.24294e+01 214.007 3.22626e+01 214.007 0.8474 
1 1 1 24 1  29 o 2  5.12992e+01 1.31486e+01 7.13399e+01 74.846  1.82677e+00  6.74511e+00  0.00000e+00 0.00000e+00 5.27754e+01 74.846  1.85644e+01 254.846 0.9254 
1 1 1 24 1  30 o 15 6.83461e+01 1.30115e+01 1.20976e+02 178.040 -1.58197e+01 5.41324e-01  0.00000e+00 0.00000e+00 5.15342e+01 178.040 6.94420e+01 358.040 0.9679 
1 1 1 24 1  31 o 1  3.86327e+01 1.19135e+01 5.32270e+01 111.561 -1.59468e+00 4.03579e+00  0.00000e+00 0.00000e+00 3.47373e+01 111.561 1.84896e+01 291.561 0.8754 
1 1 1 24 1  32 o 2  3.52095e+01 1.13970e+01 6.98085e+00 341.345 4.99020e-01  -1.68470e-01 0.00000e+00 0.00000e+00 1.62735e+01 341.345 9.29262e+00 341.345 0.2546 
1 1 1 24 1  33 o 5  8.20226e+01 1.31791e+01 8.38832e+01 10.572  1.39427e+01  2.60219e+00  0.00000e+00 0.00000e+00 1.20660e+02 10.572  3.67767e+01 10.572  0.9641 
1 1 1 24 2  0  o 13 2.71417e+01 1.80058e+01 5.55388e+01 180.000 -9.42459e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.33272e+00 0.000   5.68715e+01 0.000   0.7364 
1 1 1 24 2  1  o 11 7.27011e+01 1.25820e+01 9.40535e+01 131.601 -5.71257e+00 6.43407e+00  0.00000e+00 0.00000e+00 9.12809e+01 131.601 2.77260e+00 311.601 0.9400 
1 1 1 24 2  2  f 0  9.40842e+01 1.12527e+01 1.15753e+02 134.310 -1.01139e+01 1.03607e+01  0.00000e+00 0.00000e+00 1.30407e+02 134.310 1.46538e+01 134.310 0.9648 
1 1 1 24 2  3  o 8  7.95404e+01 1.27551e+01 8.98638e+01 298.410 4.24164e+00  -7.84133e+00 0.00000e+00 0.00000e+00 1.13304e+02 298.410 2.34398e+01 298.410 0.9421 
1 1 1 24 2  4  o 13 6.49555e+01 1.38912e+01 1.02422e+02 307.303 4.94973e+00  -6.49663e+00 0.00000e+00 0.00000e+00 6.24721e+01 307.303 3.99495e+01 127.303 0.9366 
1 1 1 24 2  5  o 13 7.70133e+01 1.29564e+01 9.64064e+01 24.916  8.61346e+00  4.00123e+00  0.00000e+00 0.00000e+00 1.00935e+02 24.916  4.52894e+00 24.916  0.9458 
1 1 1 24 2  6  o 16 8.82071e+01 1.14181e+01 1.30432e+02 250.520 -5.23825e+00 -1.48088e+01 0.00000e+00 0.00000e+00 1.00701e+02 250.520 2.97309e+01 70.520  0.9676 
1 1 1 24 2  7  o 14 4.47647e+01 1.21627e+01 4.47126e+01 87.825  1.00204e-01  2.63884e+00  0.00000e+00 0.00000e+00 4.97256e+01 87.825  5.01302e+00 87.825  0.7795 
1 1 1 24 2  8  o 19 7.21067e+01 1.22753e+01 8.21716e+01 83.501  8.78131e-01  7.70877e+00  0.00000e+00 0.00000e+00 9.98183e+01 83.501  1.76466e+01 83.501  0.9331 
1 1 1 24 2  9  o 8  6.32526e+01 1.30299e+01 8.92798e+01 37.323  6.26359e+00  4.77547e+00  0.00000e+00 0.00000e+00 7.04243e+01 37.323  1.88554e+01 217.322 0.9342 
1 1 1 24 2  10 f 0  6.01573e+01 1.31999e+01 1.16271e+02 163.141 -9.23165e+00 2.79755e+00  0.00000e+00 0.00000e+00 3.75208e+01 163.141 7.87501e+01 343.141 0.9467 
1 1 1 24 2  11 o 1  3.05073e+01 1.02213e+01 5.23134e+01 167.026 -2.45560e+00 5.65746e-01  0.00000e+00 0.00000e+00 1.08320e+01 167.026 4.14815e+01 347.026 0.7671 
1 1 1 24 2  12 o 6  7.26308e+01 1.23272e+01 3.69034e+01 302.069 2.03302e+00  -3.24484e+00 0.00000e+00 0.00000e+00 1.30797e+02 302.069 9.38941e+01 302.069 0.8566 
1 1 1 24 2  13 o 9  4.34177e+01 1.25388e+01 4.42868e+01 8.825   2.70686e+00  4.20238e-01  0.00000e+00 0.00000e+00 4.79148e+01 8.825   3.62795e+00 8.825   0.7887 
1 1 1 24 2  14 f 0  5.77827e+01 1.40008e+01 1.24628e+02 327.374 8.00993e+00  -5.12773e+00 0.00000e+00 0.00000e+00 2.23604e+01 327.374 1.02268e+02 147.374 0.9459 
1 1 1 24 2  15 o 7  4.35543e+01 1.26285e+01 5.77885e+01 276.531 3.98150e-01  -3.47787e+00 0.00000e+00 0.00000e+00 4.06143e+01 276.531 1.71742e+01 96.531  0.8411 
1 1 1 24 2  16 o 8  4.59717e+01 1.25522e+01 6.84931e+01 66.121  1.77026e+00  3.99868e+00  0.00000e+00 0.00000e+00 3.95908e+01 66.121  2.89022e+01 246.121 0.8765 
1 1 1 24 2  17 o 9  3.74179e+01 1.18718e+01 9.49159e+01 200.977 -5.31833e+00 -2.03903e+00 0.00000e+00 0.00000e+00 3.97268e+00 20.977  9.88885e+01 20.977  0.9074 
1 1 1 24 2  18 o 18 4.33047e+01 1.26459e+01 5.16274e+01 265.123 -2.91399e-01 -3.41487e+00 0.00000e+00 0.00000e+00 4.53405e+01 265.123 6.28688e+00 85.123  0.8372 
1 1 1 24 2  19 o 6  7.59675e+01 1.18262e+01 1.15171e+02 155.121 -1.25860e+01 5.83657e+00  0.00000e+00 0.00000e+00 8.02335e+01 155.121 3.49371e+01 335.121 0.9633 
1 1 1 24 2  20 o 8  4.11771e+01 1.23859e+01 5.31381e+01 264.876 -2.99486e-01 -3.33957e+00 0.00000e+00 0.00000e+00 3.83056e+01 264.876 1.48325e+01 84.876  0.8330 
1 1 1 24 2  21 o 13 6.96967e+01 1.31250e+01 6.43795e+01 157.521 -6.13517e+00 2.53865e+00  0.00000e+00 0.00000e+00 1.06491e+02 157.521 4.21111e+01 157.521 0.9213 
1 1 1 24 2  22 o 10 7.76320e+01 1.24927e+01 6.92112e+01 167.613 -8.58871e+00 1.88624e+00  0.00000e+00 0.00000e+00 1.24889e+02 167.613 5.56776e+01 167.613 0.9413 
1 1 1 24 2  23 o 12 5.72287e+01 1.36270e+01 6.75288e+01 225.872 -4.11348e+00 -4.24060e+00 0.00000e+00 0.00000e+00 7.06695e+01 225.872 3.14071e+00 225.872 0.9109 
1 1 1 24 2  24 o 2  3.07880e+01 1.03167e+01 1.27427e+01 152.420 -6.77310e-01 3.53785e-01  0.00000e+00 0.00000e+00 1.63081e+01 152.420 3.56541e+00 152.420 0.3567 
1 1 1 24 2  25 o 18 6.84977e+01 1.29990e+01 9.72139e+01 236.793 -6.33198e+00 -9.67389e+00 0.00000e+00 0.00000e+00 7.56190e+01 236.793 2.15948e+01 56.794  0.9557 
1 1 1 24 2  26 o 17 3.52607e+01 1.12727e+01 2.50360e+01 174.741 -1.67636e+00 1.54300e-01  0.00000e+00 0.00000e+00 3.42556e+01 174.741 9.21964e+00 174.741 0.6383 
1 1 1 24 2  27 o 9  3.44977e+01 1.11463e+01 1.58518e+01 32.742  9.34953e-01  6.01197e-01  0.00000e+00 0.00000e+00 2.80797e+01 32.742  1.22279e+01 32.742  0.4845 
1 1 1 24 2  28 o 17 3.68171e+01 1.14038e+01 1.99472e+01 319.521 1.11329e+00  -9.50150e-01 0.00000e+00 0.00000e+00 3.67206e+01 319.521 1.67734e+01 319.521 0.5870 
1 1 1 24 2  29 o 8  3.66131e+01 1.15498e+01 5.26381e+01 210.175 -3.52183e+00 -2.04768e+00 0.00000e+00 0.00000e+00 3.03236e+01 210.175 2.23145e+01 30.175  0.8663 
1 1 1 24 2  30 o 10 4.17255e+01 1.23958e+01 6.95489e+01 19.444  5.62152e+00  1.98452e+00  0.00000e+00 0.00000e+00 2.97047e+01 19.444  3.98442e+01 199.444 0.9118 
1 1 1 24 2  31 f 0  3.27555e+01 1.07698e+01 2.32588e+01 310.760 1.11536e+00  -1.29401e+00 0.00000e+00 0.00000e+00 3.15956e+01 310.760 8.33679e+00 310.760 0.6436 
1 1 1 24 2  32 o 15 4.80593e+01 1.22020e+01 6.78924e+01 343.603 6.94369e+00  -2.04323e+00 0.00000e+00 0.00000e+00 4.78559e+01 343.603 2.00365e+01 163.603 0.9281 
1 1 1 24 3  0  o 6  4.94574e+01 2.30785e+01 1.20590e+02 180.000 -3.25659e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.32478e+01 180.000 1.07342e+02 0.000   0.9970 
1 1 1 24 3  1  o 11 8.32023e+01 1.16085e+01 1.32787e+02 45.341  1.05325e+01  1.06586e+01  0.00000e+00 0.00000e+00 8.53576e+01 45.341  4.74293e+01 225.341 0.9660 
1 1 1 24 3  2  o 13 7.64984e+01 1.29711e+01 7.63586e+01 88.805  1.55570e-01  7.45714e+00  0.00000e+00 0.00000e+00 1.16770e+02 88.805  4.04118e+01 88.805  0.9303 
1 1 1 24 3  3  o 12 8.09335e+01 1.20338e+01 1.12547e+02 309.167 7.65009e+00  -9.39101e+00 0.00000e+00 0.00000e+00 9.77648e+01 309.167 1.47824e+01 129.167 0.9578 
1 1 1 24 3  4  o 11 5.18097e+01 1.32292e+01 3.16343e+01 17.480  1.96910e+00  6.20095e-01  0.00000e+00 0.00000e+00 6.78665e+01 17.480  3.62322e+01 17.480  0.7081 
1 1 1 24 3  5  o 15 5.25482e+01 1.33488e+01 7.18162e+01 290.835 1.67905e+00  -4.41207e+00 0.00000e+00 0.00000e+00 5.44806e+01 290.835 1.73355e+01 110.835 0.8865 
1 1 1 24 3  6  o 2  4.73953e+01 1.28141e+01 2.12381e+01 67.784  4.86745e-01  1.19179e+00  0.00000e+00 0.00000e+00 4.79913e+01 67.784  2.67532e+01 67.784  0.5390 
1 1 1 24 3  7  o 14 3.67939e+01 1.15161e+01 4.10496e+01 144.674 -1.84968e+00 1.31088e+00  0.00000e+00 0.00000e+00 3.24058e+01 144.674 8.64374e+00 324.674 0.7371 
1 1 1 24 3  8  o 2  3.22590e+01 1.06274e+01 7.10959e+01 162.146 -3.40420e+00 1.09652e+00  0.00000e+00 0.00000e+00 2.68497e+00 162.146 6.84109e+01 342.146 0.8450 
1 1 1 24 3  9  o 10 9.80404e+01 1.01588e+01 9.98856e+01 295.043 6.57922e+00  -1.40818e+01 0.00000e+00 0.00000e+00 1.56606e+02 295.043 5.67206e+01 295.043 0.9673 
1 1 1 24 3  10 o 5  4.63865e+01 1.28677e+01 6.34373e+01 165.000 -3.96688e+00 1.06294e+00  0.00000e+00 0.00000e+00 4.53120e+01 165.000 1.81253e+01 345.000 0.8675 
1 1 1 24 3  11 o 3  5.24456e+01 1.30541e+01 4.64181e+01 24.032  3.09900e+00  1.38186e+00  0.00000e+00 0.00000e+00 7.18671e+01 24.032  2.54490e+01 24.032  0.8353 
1 1 1 24 3  12 o 8  4.78018e+01 1.22532e+01 5.99222e+01 155.970 -3.77670e+00 1.68387e+00  0.00000e+00 0.00000e+00 5.20635e+01 155.970 7.85865e+00 335.970 0.8685 
1 1 1 24 3  13 o 16 4.73074e+01 1.33346e+01 7.77951e+01 174.011 -4.99461e+00 5.23989e-01  0.00000e+00 0.00000e+00 3.61467e+01 174.011 4.16484e+01 354.011 0.8939 
1 1 1 24 3  14 o 3  4.00221e+01 1.23549e+01 8.44811e+01 24.709  4.32829e+00  1.99160e+00  0.00000e+00 0.00000e+00 1.11260e+01 24.709  7.33551e+01 204.709 0.8876 
1 1 1 24 3  15 f 0  5.59964e+01 1.38100e+01 2.40718e+01 101.382 -3.48103e-01 1.72917e+00  0.00000e+00 0.00000e+00 7.45045e+01 101.382 5.04327e+01 101.382 0.6549 
1 1 1 24 3  16 o 18 4.02366e+01 1.21162e+01 8.69444e+01 262.401 -7.33294e-01 -5.49648e+00 0.00000e+00 0.00000e+00 1.07670e+01 262.401 7.61774e+01 82.401  0.9047 
1 1 1 24 3  17 f 0  1.11838e+02 8.72949e+00 9.46364e+01 127.740 -1.20088e+01 1.55153e+01  0.00000e+00 0.00000e+00 1.97405e+02 127.740 1.02769e+02 127.740 0.9742 
1 1 1 24 3  18 o 11 1.36098e+02 7.56885e+00 1.80423e+02 87.355  2.18265e+00  4.72439e+01  0.00000e+00 0.00000e+00 1.79969e+02 87.355  4.53680e-01 267.355 0.9894 
1 1 1 24 3  19 o 12 5.11704e+01 1.34126e+01 8.20090e+01 214.887 -5.01161e+00 -3.49443e+00 0.00000e+00 0.00000e+00 4.29740e+01 214.887 3.90351e+01 34.887  0.9140 
1 1 1 24 3  20 o 18 4.42801e+01 1.28071e+01 5.23324e+01 139.159 -2.64195e+00 2.28377e+00  0.00000e+00 0.00000e+00 4.69766e+01 139.159 5.35575e+00 319.159 0.8407 
1 1 1 24 3  21 o 13 3.68052e+01 1.14716e+01 5.87791e+01 143.899 -2.79951e+00 2.04152e+00  0.00000e+00 0.00000e+00 2.34777e+01 143.899 3.53015e+01 323.899 0.8392 
1 1 1 24 3  22 f 0  2.71655e+01 9.37606e+00 2.02617e+01 72.219  3.21496e-01  1.00248e+00  0.00000e+00 0.00000e+00 1.32988e+01 72.219  6.96283e+00 252.219 0.4648 
1 1 1 24 3  23 o 9  4.29707e+01 1.25327e+01 6.63149e+01 22.609  4.54368e+00  1.89221e+00  0.00000e+00 0.00000e+00 3.53189e+01 22.609  3.09961e+01 202.609 0.8915 
1 1 1 24 3  24 o 6  3.84986e+01 1.19524e+01 5.49288e+01 149.514 -3.23225e+00 1.90288e+00  0.00000e+00 0.00000e+00 3.20359e+01 149.514 2.28929e+01 329.514 0.8532 
1 1 1 24 3  25 o 2  4.27816e+01 1.21547e+01 5.23298e+01 296.548 1.81943e+00  -3.64161e+00 0.00000e+00 0.00000e+00 4.55736e+01 296.548 6.75622e+00 116.548 0.8662 
1 1 1 24 3  26 o 10 3.20057e+01 1.05433e+01 6.12512e+01 114.729 -1.73364e+00 3.76423e+00  0.00000e+00 0.00000e+00 1.20553e+01 114.729 4.91959e+01 294.729 0.8688 
1 1 1 24 3  27 o 8  4.90850e+01 1.29059e+01 8.72959e+01 230.375 -4.98692e+00 -6.02290e+00 0.00000e+00 0.00000e+00 3.32418e+01 230.375 5.40541e+01 50.375  0.9337 
1 1 1 24 3  28 o 19 4.01827e+01 1.20483e+01 4.87104e+01 311.943 2.49928e+00  -2.78129e+00 0.00000e+00 0.00000e+00 4.11934e+01 311.943 7.51704e+00 131.943 0.8527 
1 1 1 24 3  29 f 0  7.00989e+01 1.25819e+01 8.40446e+01 217.994 -9.15149e+00 -7.14849e+00 0.00000e+00 0.00000e+00 9.13490e+01 217.994 7.30440e+00 217.994 0.9559 
1 1 1 24 3  30 o 16 4.54357e+01 1.22146e+01 4.55171e+01 189.882 -4.22223e+00 -7.35518e-01 0.00000e+00 0.00000e+00 5.81219e+01 189.882 1.26049e+01 189.882 0.8737 
1 1 1 24 3  31 o 10 5.29052e+01 1.31186e+01 4.68820e+01 0.235   4.76429e+00  1.95369e-02  0.00000e+00 0.00000e+00 7.53978e+01 0.235   2.85158e+01 0.235   0.8876 
1 1 1 24 3  32 o 17 4.95048e+01 1.29708e+01 6.40008e+01 109.507 -2.21640e+00 6.25654e+00  0.00000e+00 0.00000e+00 5.44328e+01 109.507 9.56798e+00 289.507 0.9212 
1 1 1 24 4  0  o 9  9.36200e+01 1.83898e+01 1.11276e+02 0.000   7.28998e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.43076e+02 0.000   3.17993e+01 0.000   1.0000 
1 1 1 24 4  1  o 2  3.99495e+01 1.23185e+01 5.91534e+01 229.545 -2.21880e+00 -2.60197e+00 0.00000e+00 0.00000e+00 3.16653e+01 229.545 2.74881e+01 49.545  0.8368 
1 1 1 24 4  2  o 10 4.49855e+01 1.31886e+01 3.13462e+01 33.021  1.63863e+00  1.06500e+00  0.00000e+00 0.00000e+00 5.29860e+01 33.021  2.16398e+01 33.021  0.6901 
1 1 1 24 4  3  o 2  4.98431e+01 1.29782e+01 6.19543e+01 256.373 -1.01803e+00 -4.19953e+00 0.00000e+00 0.00000e+00 5.64659e+01 256.373 5.48840e+00 76.373  0.8748 
1 1 1 24 4  4  o 14 6.84294e+01 1.23162e+01 1.06712e+02 151.199 -9.23813e+00 5.07890e+00  0.00000e+00 0.00000e+00 7.00292e+01 151.199 3.66825e+01 331.199 0.9513 
1 1 1 24 4  5  o 14 4.34908e+01 1.24719e+01 7.29695e+01 239.640 -2.29501e+00 -3.91799e+00 0.00000e+00 0.00000e+00 3.10767e+01 239.640 4.18928e+01 59.640  0.8815 
1 1 1 24 4  6  o 18 3.96926e+01 1.18941e+01 4.59208e+01 95.398  -2.51763e-01 2.66451e+00  0.00000e+00 0.00000e+00 3.83749e+01 95.398  7.54589e+00 275.398 0.7829 
1 1 1 24 4  7  o 8  4.66076e+01 1.26062e+01 6.97562e+01 297.546 2.12922e+00  -4.08214e+00 0.00000e+00 0.00000e+00 4.18582e+01 297.546 2.78981e+01 117.546 0.8833 
1 1 1 24 4  8  o 9  3.93667e+01 1.19228e+01 7.34509e+01 26.799  3.76718e+00  1.90282e+00  0.00000e+00 0.00000e+00 1.95019e+01 26.799  5.39490e+01 206.799 0.8715 
1 1 1 24 4  9  o 9  7.90749e+01 1.17362e+01 7.57623e+01 219.819 -6.83566e+00 -5.69912e+00 0.00000e+00 0.00000e+00 1.25912e+02 219.819 5.01492e+01 219.819 0.9420 
1 1 1 24 4  10 o 18 1.39153e+02 7.32948e+00 1.71694e+02 117.142 -1.94050e+01 3.78524e+01  0.00000e+00 0.00000e+00 2.00286e+02 117.142 2.85918e+01 117.142 0.9882 
1 1 1 24 4  11 o 4  9.91519e+01 9.40373e+00 1.21272e+02 47.778  1.32233e+01  1.45718e+01  0.00000e+00 0.00000e+00 1.39807e+02 47.778  1.85342e+01 47.778  0.9742 
1 1 1 24 4  12 o 1  3.73002e+01 1.18802e+01 6.54593e+01 209.735 -3.06139e+00 -1.74865e+00 0.00000e+00 0.00000e+00 1.93834e+01 209.735 4.60759e+01 29.735  0.8424 
1 1 1 24 4  13 o 13 5.85983e+01 1.33071e+01 1.14423e+02 352.323 8.93212e+00  -1.20408e+00 0.00000e+00 0.00000e+00 3.45801e+01 352.323 7.98427e+01 172.323 0.9428 
1 1 1 24 4  14 o 9  7.08260e+01 1.35855e+01 1.06563e+02 19.699  9.38510e+00  3.36010e+00  0.00000e+00 0.00000e+00 7.44023e+01 19.699  3.21602e+01 199.699 0.9484 
1 1 1 24 4  15 o 11 4.70958e+01 1.33742e+01 6.13311e+01 142.844 -3.41160e+00 2.58545e+00  0.00000e+00 0.00000e+00 4.93570e+01 142.844 1.19741e+01 322.844 0.8735 
1 1 1 24 4  16 o 1  7.38403e+01 1.18939e+01 1.05268e+02 354.723 1.23356e+01  -1.13933e+00 0.00000e+00 0.00000e+00 8.49583e+01 354.723 2.03093e+01 174.723 0.9587 
1 1 1 24 4  17 o 15 1.03151e+02 9.48973e+00 1.14451e+02 82.758  2.64245e+00  2.07939e+01  0.00000e+00 0.00000e+00 1.55640e+02 82.758  4.11897e+01 82.758  0.9758 
1 1 1 24 4  18 o 16 4.63249e+01 1.25792e+01 7.21644e+01 275.429 4.80633e-01  -5.05694e+00 0.00000e+00 0.00000e+00 3.89401e+01 275.429 3.32243e+01 95.429  0.8952 
1 1 1 24 4  19 o 3  3.78054e+01 1.15751e+01 5.20376e+01 357.020 3.15148e+00  -1.64046e-01 0.00000e+00 0.00000e+00 3.09729e+01 357.020 2.10647e+01 177.020 0.8209 
1 1 1 24 4  20 o 9  3.29779e+01 1.08203e+01 2.16525e+01 327.922 1.00057e+00  -6.27109e-01 0.00000e+00 0.00000e+00 2.29792e+01 327.922 1.32668e+00 327.922 0.5068 
1 1 1 24 4  21 o 18 5.16026e+01 1.31201e+01 2.15843e+01 56.137  9.78113e-01  1.45762e+00  0.00000e+00 0.00000e+00 6.82705e+01 56.137  4.66863e+01 56.137  0.6532 
1 1 1 24 4  22 o 16 7.56713e+01 1.20319e+01 1.06025e+02 222.975 -1.04413e+01 -9.72814e+00 0.00000e+00 0.00000e+00 8.81280e+01 222.975 1.78969e+01 42.975  0.9643 
1 1 1 24 4  23 o 4  3.65666e+01 1.14155e+01 4.98239e+01 57.421  1.79502e+00  2.80909e+00  0.00000e+00 0.00000e+00 3.09594e+01 57.421  1.88645e+01 237.421 0.8319 
1 1 1 24 4  24 o 15 6.71356e+01 1.29070e+01 7.63983e+01 265.859 -6.44889e-01 -8.90835e+00 0.00000e+00 0.00000e+00 9.12461e+01 265.859 1.48479e+01 265.859 0.9422 
1 1 1 24 4  25 o 1  4.65760e+01 1.32373e+01 5.71688e+01 247.641 -1.81891e+00 -4.42192e+00 0.00000e+00 0.00000e+00 5.22167e+01 247.641 4.95213e+00 67.641  0.8881 
1 1 1 24 4  26 o 12 3.71703e+01 1.16496e+01 1.52638e+01 66.575  4.45306e-01  1.02781e+00  0.00000e+00 0.00000e+00 3.25366e+01 66.575  1.72729e+01 66.575  0.4873 
1 1 1 24 4  27 o 2  4.00060e+01 1.20179e+01 6.76140e+01 294.895 2.18356e+00  -4.70507e+00 0.00000e+00 0.00000e+00 2.69211e+01 294.895 4.06929e+01 114.895 0.8975 
1 1 1 24 4  28 o 10 4.54275e+01 1.25303e+01 3.82070e+01 107.662 -1.04331e+00 3.27661e+00  0.00000e+00 0.00000e+00 6.17603e+01 107.662 2.35533e+01 107.662 0.8378 
1 1 1 24 4  29 o 8  3.37910e+01 1.09685e+01 2.97334e+01 87.895  8.31672e-02  2.26272e+00  0.00000e+00 0.00000e+00 3.54926e+01 87.895  5.75916e+00 87.895  0.7367 
1 1 1 24 4  30 o 2  4.82854e+01 1.23452e+01 7.37899e+01 65.855  2.95115e+00  6.58357e+00  0.00000e+00 0.00000e+00 4.32956e+01 65.855  3.04943e+01 245.855 0.9279 
1 1 1 24 4  31 o 19 3.44058e+01 1.09108e+01 1.68851e+01 147.620 -1.18985e+00 7.54534e-01  0.00000e+00 0.00000e+00 3.44835e+01 147.620 1.75983e+01 147.620 0.5728 
1 1 1 24 5  0  o 8  3.21192e+01 2.07307e+01 4.47042e+01 180.000 -9.17635e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.86233e+01 180.000 2.60809e+01 0.000   0.7248 
1 1 1 24 5  1  o 19 3.69720e+01 1.17847e+01 5.88529e+01 53.840  1.89056e+00  2.58687e+00  0.00000e+00 0.00000e+00 2.40196e+01 53.840  3.48333e+01 233.840 0.8240 
1 1 1 24 5  2  o 18 5.61561e+01 1.33708e+01 7.70121e+01 12.872  5.74622e+00  1.31306e+00  0.00000e+00 0.00000e+00 6.20834e+01 12.872  1.49287e+01 192.872 0.9107 
1 1 1 24 5  3  o 19 4.99681e+01 1.29586e+01 7.81011e+01 252.565 -1.64317e+00 -5.23215e+00 0.00000e+00 0.00000e+00 4.46665e+01 252.565 3.34347e+01 72.565  0.9035 
1 1 1 24 5  4  o 2  6.75801e+01 1.15098e+01 1.19508e+02 25.965  1.09320e+01  5.32362e+00  0.00000e+00 0.00000e+00 5.64819e+01 25.965  6.30258e+01 205.965 0.9580 
1 1 1 24 5  5  o 19 4.30176e+01 1.23462e+01 4.43185e+01 225.526 -1.92917e+00 -1.96494e+00 0.00000e+00 0.00000e+00 4.80280e+01 225.526 3.70957e+00 225.526 0.7900 
1 1 1 24 5  6  o 17 4.18099e+01 1.23350e+01 6.87027e+01 183.251 -4.13708e+00 -2.34971e-01 0.00000e+00 0.00000e+00 2.99622e+01 183.251 3.87405e+01 3.251   0.8688 
1 1 1 24 5  7  o 7  5.38524e+01 1.29656e+01 1.05830e+02 81.983  1.10962e+00  7.87838e+00  0.00000e+00 0.00000e+00 3.08358e+01 81.983  7.49937e+01 261.983 0.9349 
1 1 1 24 5  8  o 13 3.96001e+01 1.18062e+01 6.13458e+01 52.544  2.17569e+00  2.83988e+00  0.00000e+00 0.00000e+00 2.94369e+01 52.544  3.19089e+01 232.544 0.8451 
1 1 1 24 5  9  o 4  6.44449e+01 1.27013e+01 1.19203e+02 66.864  4.20218e+00  9.83480e+00  0.00000e+00 0.00000e+00 4.71183e+01 66.864  7.20845e+01 246.864 0.9520 
1 1 1 24 5  10 o 14 3.84199e+01 1.19264e+01 1.44051e+01 183.216 -7.95496e-01 -4.46918e-02 0.00000e+00 0.00000e+00 2.40761e+01 183.216 9.67102e+00 183.216 0.3698 
1 1 1 24 5  11 o 10 4.90261e+01 1.36396e+01 1.12015e+02 265.264 -5.99450e-01 -7.23611e+00 0.00000e+00 0.00000e+00 1.11501e+01 265.264 1.00865e+02 85.264  0.9283 
1 1 1 24 5  12 o 7  5.01102e+01 1.28787e+01 5.01760e+01 332.723 3.41487e+00  -1.76081e+00 0.00000e+00 0.00000e+00 6.59464e+01 332.723 1.57704e+01 332.723 0.8572 
1 1 1 24 5  13 o 12 3.71930e+01 1.19386e+01 8.50980e+01 23.857  4.62932e+00  2.04731e+00  0.00000e+00 0.00000e+00 4.77779e+00 23.857  8.03203e+01 203.857 0.8948 
1 1 1 24 5  14 o 7  9.90107e+01 9.60732e+00 9.71606e+01 284.403 4.27183e+00  -1.66344e+01 0.00000e+00 0.00000e+00 1.62019e+02 284.403 6.48580e+01 284.403 0.9704 
1 1 1 24 5  15 o 15 7.43504e+01 1.15898e+01 8.30907e+01 77.568  2.14120e+00  9.71254e+00  0.00000e+00 0.00000e+00 1.06860e+02 77.568  2.37698e+01 77.568  0.9483 
1 1 1 24 5  16 o 16 3.59627e+01 1.12509e+01 3.92295e+01 150.348 -1.99750e+00 1.13715e+00  0.00000e+00 0.00000e+00 3.24847e+01 150.348 6.74476e+00 330.348 0.7412 
1 1 1 24 5  17 f 0  6.89213e+01 1.24814e+01 8.65254e+01 277.556 1.20569e+00  -9.08881e+00 0.00000e+00 0.00000e+00 8.82309e+01 277.556 1.70545e+00 277.556 0.9438 
1 1 1 24 5  18 o 9  6.06296e+01 1.26507e+01 3.98025e+01 75.426  9.20703e-01  3.54120e+00  0.00000e+00 0.00000e+00 9.82810e+01 75.426  5.84785e+01 75.426  0.8490 
1 1 1 24 5  19 o 2  3.48320e+01 1.12467e+01 3.60837e+01 342.091 2.09458e+00  -6.76907e-01 0.00000e+00 0.00000e+00 3.18508e+01 342.091 4.23286e+00 162.091 0.7282 
1 1 1 24 5  20 o 16 1.19511e+02 8.22288e+00 1.48053e+02 319.393 2.71024e+01  -2.32356e+01 0.00000e+00 0.00000e+00 1.66987e+02 319.393 1.89346e+01 319.393 0.9859 
1 1 1 24 5  21 o 7  4.58159e+01 1.27997e+01 1.32556e+01 296.902 4.67154e-01  -9.20712e-01 0.00000e+00 0.00000e+00 4.27232e+01 296.902 2.94676e+01 296.902 0.4578 
1 1 1 24 5  22 o 8  3.43484e+01 1.10153e+01 2.63052e+01 352.453 1.75232e+00  -2.32171e-01 0.00000e+00 0.00000e+00 3.36951e+01 352.453 7.38989e+00 352.453 0.6557 
1 1 1 24 5  23 o 18 1.64225e+02 6.79733e+00 2.12813e+02 239.634 -4.26175e+01 -7.27372e+01 0.00000e+00 0.00000e+00 2.21258e+02 239.634 8.44515e+00 239.634 0.9941 
1 1 1 24 5  24 o 11 3.74046e+01 1.17304e+01 1.84237e+01 347.918 1.32843e+00  -2.84354e-01 0.00000e+00 0.00000e+00 3.70769e+01 347.918 1.86532e+01 347.918 0.5592 
1 1 1 24 5  25 o 11 7.44881e+01 1.22353e+01 6.67760e+01 222.203 -7.01812e+00 -6.36437e+00 0.00000e+00 0.00000e+00 1.19747e+02 222.203 5.29712e+01 222.203 0.9457 
1 1 1 24 5  26 o 16 7.67662e+01 1.27446e+01 4.54512e+01 343.681 6.14267e+00  -1.79840e+00 0.00000e+00 0.00000e+00 1.40779e+02 343.681 9.53276e+01 343.681 0.9182 
1 1 1 24 5  27 o 6  4.69718e+01 1.26302e+01 8.07115e+01 2.009   7.45908e+00  2.61646e-01  0.00000e+00 0.00000e+00 3.44905e+01 2.009   4.62210e+01 182.009 0.9304 
1 1 1 24 5  28 o 10 3.84227e+01 1.18926e+01 2.75958e+01 159.312 -2.10534e+00 7.95056e-01  0.00000e+00 0.00000e+00 4.66638e+01 159.312 1.90680e+01 159.312 0.7349 
1 1 1 24 5  29 o 6  3.73464e+01 1.16641e+01 3.67184e+01 31.507  2.47673e+00  1.51815e+00  0.00000e+00 0.00000e+00 4.19272e+01 31.507  5.20881e+00 31.507  0.8027 
1 1 1 24 5  30 f 0  3.49648e+01 1.11699e+01 5.24285e+01 354.546 4.35166e+00  -4.15475e-01 0.00000e+00 0.00000e+00 2.77594e+01 354.546 2.46691e+01 174.546 0.8764 
1 1 1 24 6  0  o 17 3.08060e+01 1.99389e+01 8.52184e+00 180.000 -1.72823e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.84111e+00 180.000 2.68073e+00 0.000   0.1711 
1 1 1 24 6  1  o 10 7.12812e+01 1.38675e+01 1.41172e+02 118.038 -6.30006e+00 1.18297e+01  0.00000e+00 0.00000e+00 4.56400e+01 118.038 9.55325e+01 298.038 0.9619 
1 1 1 24 6  2  o 1  5.36594e+01 1.40311e+01 3.72791e+01 63.659  1.16043e+00  2.34373e+00  0.00000e+00 0.00000e+00 7.62952e+01 63.659  3.90162e+01 63.659  0.7770 
1 1 1 24 6  3  o 13 5.78527e+01 1.48050e+01 6.49161e+01 318.259 3.52121e+00  -3.14174e+00 0.00000e+00 0.00000e+00 7.47538e+01 318.259 9.83764e+00 318.259 0.8864 
1 1 1 24 6  4  o 7  4.60918e+01 1.23518e+01 3.49228e+01 202.290 -2.10986e+00 -8.64868e-01 0.00000e+00 0.00000e+00 5.77960e+01 202.290 2.28732e+01 202.290 0.7388 
1 1 1 24 6  5  o 14 5.28026e+01 1.35416e+01 5.05329e+01 209.409 -3.10389e+00 -1.74963e+00 0.00000e+00 0.00000e+00 7.08064e+01 209.409 2.02734e+01 209.409 0.8443 
1 1 1 24 6  6  o 16 4.47981e+01 1.25525e+01 4.98561e+01 308.200 1.93171e+00  -2.45475e+00 0.00000e+00 0.00000e+00 4.99200e+01 308.200 6.38378e-02 308.200 0.8187 
1 1 1 24 6  7  o 10 6.70220e+01 1.33126e+01 9.51095e+01 77.982  1.78586e+00  8.38861e+00  0.00000e+00 0.00000e+00 7.61348e+01 77.982  1.89747e+01 257.982 0.9398 
1 1 1 24 6  8  o 17 3.91622e+01 1.19913e+01 4.14653e+01 48.142  1.54905e+00  1.72897e+00  0.00000e+00 0.00000e+00 3.77113e+01 48.142  3.75398e+00 228.142 0.7441 
1 1 1 24 6  9  o 14 4.30776e+01 1.26465e+01 5.45310e+01 67.179  1.40969e+00  3.35010e+00  0.00000e+00 0.00000e+00 4.46319e+01 67.179  9.89910e+00 247.179 0.8478 
1 1 1 24 6  10 o 1  4.73925e+01 1.29813e+01 3.05798e+01 37.327  1.74678e+00  1.33200e+00  0.00000e+00 0.00000e+00 6.29635e+01 37.327  3.23837e+01 37.327  0.7276 
1 1 1 24 6  11 o 10 6.06699e+01 1.29295e+01 5.00950e+01 212.566 -3.88145e+00 -2.47909e+00 0.00000e+00 0.00000e+00 9.51642e+01 212.566 4.50692e+01 212.566 0.8834 
1 1 1 24 6  12 o 5  7.10625e+01 1.22119e+01 9.87287e+01 225.141 -7.74272e+00 -7.78081e+00 0.00000e+00 0.00000e+00 8.47033e+01 225.141 1.40254e+01 45.141  0.9533 
1 1 1 24 6  13 o 11 3.85172e+01 1.16068e+01 4.63931e+01 271.510 7.57144e-02  -2.87147e+00 0.00000e+00 0.00000e+00 3.69620e+01 271.510 9.43107e+00 91.510  0.8001 
1 1 1 24 6  14 o 6  4.31767e+01 1.21819e+01 5.92912e+01 224.168 -2.85484e+00 -2.77311e+00 0.00000e+00 0.00000e+00 4.13474e+01 224.168 1.79438e+01 44.168  0.8627 
1 1 1 24 6  15 o 7  5.60153e+01 1.29115e+01 7.67669e+01 74.661  1.71079e+00  6.23686e+00  0.00000e+00 0.00000e+00 6.21440e+01 74.661  1.46228e+01 254.661 0.9191 
1 1 1 24 6  16 o 19 5.46349e+01 1.34553e+01 9.30968e+01 310.367 4.79379e+00  -5.63933e+00 0.00000e+00 0.00000e+00 4.37855e+01 310.367 4.93113e+01 130.367 0.9298 
1 1 1 24 6  17 o 15 6.05520e+01 1.37506e+01 1.14768e+02 62.191  4.95619e+00  9.39666e+00  0.00000e+00 0.00000e+00 4.02988e+01 62.191  7.44689e+01 242.191 0.9517 
1 1 1 24 6  18 o 13 4.11644e+01 1.23724e+01 3.03688e+01 253.818 -5.72380e-01 -1.97251e+00 0.00000e+00 0.00000e+00 4.77619e+01 253.818 1.73931e+01 253.818 0.7064 
1 1 1 24 6  19 o 3  7.65612e+01 1.25894e+01 7.46555e+01 298.081 4.64039e+00  -8.69759e+00 0.00000e+00 0.00000e+00 1.20007e+02 298.081 4.53511e+01 298.081 0.9478 
1 1 1 24 6  20 o 10 4.48091e+01 1.23983e+01 8.67753e+00 145.189 -5.53875e-01 3.85103e-01  0.00000e+00 0.00000e+00 2.96573e+01 145.189 2.09797e+01 145.189 0.3195 
1 1 1 24 6  21 o 13 6.69097e+01 1.31361e+01 8.22286e+01 239.911 -4.74848e+00 -8.19508e+00 0.00000e+00 0.00000e+00 8.69143e+01 239.911 4.68575e+00 239.911 0.9456 
1 1 1 24 6  22 o 2  3.50555e+01 1.12818e+01 2.35938e+01 291.418 6.14420e-01  -1.56638e+00 0.00000e+00 0.00000e+00 3.60963e+01 291.418 1.25025e+01 291.418 0.6381 
1 1 1 24 6  23 o 8  3.70695e+01 1.17601e+01 3.82639e+01 359.548 2.78552e+00  -2.19758e-02 0.00000e+00 0.00000e+00 4.00014e+01 359.548 1.73751e+00 359.548 0.7928 
1 1 1 24 6  24 o 14 7.42507e+01 1.27539e+01 1.25246e+02 132.402 -1.15456e+01 1.26432e+01  0.00000e+00 0.00000e+00 6.62404e+01 132.402 5.90054e+01 312.402 0.9703 
1 1 1 24 6  25 o 16 4.30219e+01 1.25920e+01 4.52849e+01 152.443 -3.42363e+00 1.78656e+00  0.00000e+00 0.00000e+00 5.26109e+01 152.443 7.32592e+00 152.443 0.8580 
1 1 1 24 6  26 o 11 4.35278e+01 1.27013e+01 5.22039e+01 342.162 4.36888e+00  -1.40591e+00 0.00000e+00 0.00000e+00 4.94954e+01 342.162 2.70842e+00 162.162 0.8829 
1 1 1 24 6  27 o 17 4.24262e+01 1.24641e+01 5.99226e+01 171.158 -5.12665e+00 7.97496e-01  0.00000e+00 0.00000e+00 4.06199e+01 171.158 1.93027e+01 351.158 0.8976 
1 1 1 24 6  28 o 17 4.54801e+01 1.18483e+01 6.08507e+01 356.413 5.77742e+00  -3.62138e-01 0.00000e+00 0.00000e+00 4.80358e+01 356.413 1.28149e+01 176.413 0.9089 
1 1 1 24 6  29 o 9  3.33297e+01 1.09010e+01 4.49689e+01 296.618 1.63084e+00  -3.25416e+00 0.00000e+00 0.00000e+00 2.93025e+01 296.618 1.56664e+01 116.618 0.8481 
1 1 1 24 7  0  o 4  5.67937e+01 2.37133e+01 1.91866e+00 0.000   6.71786e-02  0.00000e+00  0.00000e+00 0.00000e+00 8.48013e+00 0.000   6.56147e+00 0.000   0.0671 
1 1 1 24 7  1  o 7  2.86764e+01 9.87936e+00 5.88005e+01 192.344 -2.93827e+00 -6.42999e-01 0.00000e+00 0.00000e+00 4.64438e+00 192.344 5.41562e+01 12.344  0.8106 
1 1 1 24 7  2  o 15 7.85024e+01 1.43120e+01 7.43265e+01 340.894 7.79581e+00  -2.70046e+00 0.00000e+00 0.00000e+00 1.26482e+02 340.894 5.21554e+01 340.894 0.9373 
1 1 1 24 7  3  f 0  3.61738e+01 1.19452e+01 3.30803e+01 275.980 2.00134e-01  -1.91064e+00 0.00000e+00 0.00000e+00 3.44702e+01 275.980 1.38988e+00 275.980 0.6844 
1 1 1 24 7  4  o 11 5.60061e+01 1.34567e+01 4.66533e+01 13.295  3.76200e+00  8.88954e-01  0.00000e+00 0.00000e+00 8.44469e+01 13.295  3.77935e+01 13.295  0.8581 
1 1 1 24 7  5  o 3  4.20604e+01 1.26649e+01 5.10535e+01 88.779  7.05610e-02  3.31014e+00  0.00000e+00 0.00000e+00 4.42022e+01 88.779  6.85133e+00 268.779 0.8306 
1 1 1 24 7  6  o 15 2.70224e+01 9.33932e+00 3.15072e+01 220.524 -1.17693e+00 -1.00605e+00 0.00000e+00 0.00000e+00 1.32592e+01 220.524 1.82480e+01 40.524  0.6079 
1 1 1 24 7  7  o 16 1.09741e+02 9.03209e+00 1.13464e+02 102.201 -4.84217e+00 2.23934e+01  0.00000e+00 0.00000e+00 1.78860e+02 102.201 6.53965e+01 102.201 0.9779 
1 1 1 24 7  8  o 17 3.49026e+01 1.12151e+01 5.32167e+01 342.146 2.91441e+00  -9.38732e-01 0.00000e+00 0.00000e+00 2.41639e+01 342.146 2.90527e+01 162.146 0.8145 
1 1 1 24 7  9  o 6  3.38892e+01 1.09980e+01 5.20423e+01 159.577 -2.74679e+00 1.02276e+00  0.00000e+00 0.00000e+00 2.21418e+01 159.577 2.99005e+01 339.577 0.8048 
1 1 1 24 7  10 o 7  5.19629e+01 1.28790e+01 8.02924e+01 234.158 -3.67586e+00 -5.08879e+00 0.00000e+00 0.00000e+00 4.91398e+01 234.158 3.11526e+01 54.158  0.9165 
1 1 1 24 7  11 o 6  7.54670e+01 1.11983e+01 5.56863e+01 292.115 2.61110e+00  -6.42566e+00 0.00000e+00 0.00000e+00 1.33830e+02 292.115 7.81440e+01 292.115 0.9248 
1 1 1 24 7  12 o 17 5.84861e+01 1.22735e+01 9.65674e+01 195.974 -8.45265e+00 -2.41954e+00 0.00000e+00 0.00000e+00 5.27743e+01 195.974 4.37930e+01 15.974  0.9413 
1 1 1 24 7  13 o 14 1.08229e+02 8.28482e+00 1.48919e+02 308.937 1.89798e+01  -2.34909e+01 0.00000e+00 0.00000e+00 1.39462e+02 308.937 9.45701e+00 128.937 0.9833 
1 1 1 24 7  14 o 4  7.60650e+01 1.13612e+01 1.03331e+02 93.441  -8.25494e-01 1.37268e+01  0.00000e+00 0.00000e+00 9.49182e+01 93.441  8.41246e+00 273.441 0.9629 
1 1 1 24 7  15 o 4  1.13019e+02 7.65024e+00 1.79655e+02 224.781 -3.01094e+01 -2.98801e+01 0.00000e+00 0.00000e+00 1.22245e+02 224.781 5.74098e+01 44.781  0.9881 
1 1 1 24 7  16 o 16 4.54839e+01 1.19675e+01 3.99159e+01 182.012 -3.25821e+00 -1.14473e-01 0.00000e+00 0.00000e+00 6.16967e+01 182.012 2.17807e+01 182.012 0.8275 
1 1 1 24 7  17 o 11 5.09377e+01 1.21516e+01 4.60383e+01 120.157 -2.08372e+00 3.58632e+00  0.00000e+00 0.00000e+00 7.32878e+01 120.157 2.72495e+01 120.157 0.8690 
1 1 1 24 7  18 o 2  7.06080e+01 1.20570e+01 1.15385e+02 296.553 6.72608e+00  -1.34590e+01 0.00000e+00 0.00000e+00 6.82456e+01 296.553 4.71395e+01 116.553 0.9662 
1 1 1 24 7  19 f 0  5.08922e+01 1.28266e+01 1.25869e+02 359.385 1.12407e+01  -1.20602e-01 0.00000e+00 0.00000e+00 4.66909e+00 359.385 1.21200e+02 179.385 0.9544 
1 1 1 24 7  20 o 6  4.62170e+01 1.20074e+01 5.52538e+01 9.742   4.90128e+00  8.41472e-01  0.00000e+00 0.00000e+00 5.54454e+01 9.742   1.91621e-01 9.742   0.8928 
1 1 1 24 7  21 o 9  3.45487e+01 1.08504e+01 3.59376e+01 153.078 -2.30283e+00 1.16939e+00  0.00000e+00 0.00000e+00 3.56519e+01 153.078 2.85689e-01 333.078 0.7737 
1 1 1 24 7  22 o 3  5.83536e+01 1.18573e+01 4.86659e+01 23.834  5.06713e+00  2.23844e+00  0.00000e+00 0.00000e+00 9.24383e+01 23.834  4.37723e+01 23.834  0.9046 
1 1 1 24 7  23 o 5  1.01894e+02 8.81371e+00 1.15989e+02 103.430 -6.93936e+00 2.90598e+01  0.00000e+00 0.00000e+00 1.51281e+02 103.430 3.52921e+01 103.430 0.9831 
1 1 1 24 7  24 o 4  3.68862e+01 1.14129e+01 1.25773e+01 152.361 -8.77423e-01 4.59459e-01  0.00000e+00 0.00000e+00 3.09312e+01 152.361 1.83539e+01 152.361 0.4430 
1 1 1 24 7  25 f 0  9.20415e+01 9.92544e+00 1.03357e+02 59.317  1.17513e+01  1.98048e+01  0.00000e+00 0.00000e+00 1.35830e+02 59.317  3.24730e+01 59.317  0.9780 
1 1 1 24 7  26 o 13 3.25039e+01 1.05487e+01 4.87090e+01 66.683  1.43182e+00  3.32193e+00  0.00000e+00 0.00000e+00 2.42809e+01 66.683  2.44281e+01 246.683 0.8470 
1 1 1 24 7  27 o 13 4.04070e+01 1.21819e+01 6.90301e+01 98.519  -9.20094e-01 6.14283e+00  0.00000e+00 0.00000e+00 2.88229e+01 98.519  4.02071e+01 278.519 0.9155 
1 1 1 24 7  28 o 8  5.29073e+01 2.47914e+01 3.41951e+01 50.160  1.08653e+00  1.30222e+00  0.00000e+00 0.00000e+00 5.52954e+01 50.160  2.11003e+01 50.160  0.6410 
1 1 1 24 8  0  o 13 4.48613e+01 2.31622e+01 1.05571e+02 0.000   2.94829e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.64729e+01 0.000   8.90980e+01 180.000 0.9945 
1 1 1 24 8  1  o 17 9.17311e+01 1.10389e+01 1.22135e+02 325.499 1.53102e+01  -1.05227e+01 0.00000e+00 0.00000e+00 1.21932e+02 325.499 2.03177e-01 145.499 0.9727 
1 1 1 24 8  2  f 0  4.44023e+01 1.26638e+01 7.96848e+01 144.306 -4.38017e+00 3.14679e+00  0.00000e+00 0.00000e+00 2.98262e+01 144.306 4.98586e+01 324.306 0.9018 
1 1 1 24 8  3  o 17 6.47298e+01 1.25843e+01 1.65403e+01 52.344  1.00049e+00  1.29653e+00  0.00000e+00 0.00000e+00 9.46795e+01 52.344  7.81393e+01 52.344  0.6284 
1 1 1 24 8  4  o 4  4.44457e+01 1.15492e+01 2.81534e+01 351.694 1.99612e+00  -2.91404e-01 0.00000e+00 0.00000e+00 5.69656e+01 351.694 2.88122e+01 351.694 0.7006 
1 1 1 24 8  5  o 18 4.25009e+01 1.24527e+01 3.54481e+01 75.109  6.00216e-01  2.25723e+00  0.00000e+00 0.00000e+00 5.11739e+01 75.109  1.57258e+01 75.109  0.7459 
1 1 1 24 8  6  o 12 1.86461e+02 7.91218e+00 2.04990e+02 30.876  6.31127e+01  3.77358e+01  0.00000e+00 0.00000e+00 3.00802e+02 30.876  9.58115e+01 30.876  0.9932 
1 1 1 24 8  7  o 14 4.23602e+01 1.29952e+01 3.39869e+01 141.922 -1.70124e+00 1.33288e+00  0.00000e+00 0.00000e+00 4.95615e+01 141.922 1.55746e+01 141.922 0.7225 
1 1 1 24 8  8  o 1  9.85482e+01 1.07962e+01 1.25786e+02 153.209 -1.85594e+01 9.37124e+00  0.00000e+00 0.00000e+00 1.36499e+02 153.209 1.07134e+01 153.209 0.9756 
1 1 1 24 8  9  o 16 6.24817e+01 1.28238e+01 6.61703e+01 183.220 -6.22468e+00 -3.50235e-01 0.00000e+00 0.00000e+00 8.98187e+01 183.220 2.36484e+01 183.220 0.9159 
1 1 1 24 8  10 o 14 4.42864e+01 1.24991e+01 8.51496e+01 208.936 -5.43366e+00 -3.00400e+00 0.00000e+00 0.00000e+00 2.52785e+01 208.936 5.98711e+01 28.936  0.9155 
1 1 1 24 8  11 o 17 5.04296e+01 1.28913e+01 5.91123e+01 260.335 -8.03802e-01 -4.71966e+00 0.00000e+00 0.00000e+00 6.27775e+01 260.335 3.66513e+00 260.335 0.8882 
1 1 1 24 8  12 o 1  1.03613e+02 8.55610e+00 8.49142e+01 307.293 1.07008e+01  -1.40505e+01 0.00000e+00 0.00000e+00 1.88666e+02 307.293 1.03752e+02 307.293 0.9713 
1 1 1 24 8  13 o 8  5.28897e+01 1.25568e+01 4.51919e+01 119.339 -2.03210e+00 3.61536e+00  0.00000e+00 0.00000e+00 7.96137e+01 119.339 3.44218e+01 119.339 0.8690 
1 1 1 24 8  14 o 15 6.49151e+01 1.21897e+01 8.83710e+01 159.051 -9.46482e+00 3.62353e+00  0.00000e+00 0.00000e+00 7.87804e+01 159.051 9.59055e+00 339.051 0.9493 
1 1 1 24 8  15 o 19 3.59147e+01 1.12180e+01 2.89131e+01 311.656 1.34258e+00  -1.50923e+00 0.00000e+00 0.00000e+00 3.92931e+01 311.656 1.03801e+01 311.656 0.7010 
1 1 1 24 8  16 o 2  9.12009e+01 9.77698e+00 1.22370e+02 76.329  5.54878e+00  2.28123e+01  0.00000e+00 0.00000e+00 1.19054e+02 76.329  3.31669e+00 256.329 0.9785 
1 1 1 24 8  17 o 7  6.31611e+01 1.23900e+01 1.05583e+02 316.941 9.28907e+00  -8.68006e+00 0.00000e+00 0.00000e+00 5.81964e+01 316.941 4.73868e+01 136.941 0.9598 
1 1 1 24 8  18 o 12 3.42565e+01 1.08799e+01 1.93922e+01 294.854 5.82465e-01  -1.25748e+00 0.00000e+00 0.00000e+00 3.29669e+01 294.854 1.35747e+01 294.854 0.5666 
1 1 1 24 8  19 o 13 5.63851e+01 1.22368e+01 8.00620e+01 270.355 5.34864e-02  -8.63873e+00 0.00000e+00 0.00000e+00 6.27140e+01 270.355 1.73480e+01 90.355  0.9402 
1 1 1 24 8  20 o 6  3.64464e+01 1.09500e+01 3.30483e+01 250.869 -8.14059e-01 -2.34671e+00 0.00000e+00 0.00000e+00 4.17428e+01 250.869 8.69447e+00 250.869 0.7632 
1 1 1 24 8  21 o 11 3.56204e+01 1.11399e+01 4.81208e+01 236.981 -2.04239e+00 -3.14276e+00 0.00000e+00 0.00000e+00 3.34361e+01 236.981 1.46847e+01 56.981  0.8531 
1 1 1 24 8  22 o 15 4.69590e+01 1.23115e+01 3.75780e+00 101.805 -7.26992e-02 3.47836e-01  0.00000e+00 0.00000e+00 1.82484e+01 101.805 1.44906e+01 101.805 0.1749 
1 1 1 24 8  23 o 9  5.06276e+01 1.27292e+01 7.06876e+01 159.028 -6.72078e+00 2.57614e+00  0.00000e+00 0.00000e+00 5.48877e+01 159.028 1.57998e+01 339.028 0.9277 
1 1 1 24 8  24 o 9  5.13156e+01 1.22363e+01 8.74033e+01 268.140 -2.98301e-01 -9.18585e+00 0.00000e+00 0.00000e+00 4.18450e+01 268.140 4.55583e+01 88.140  0.9439 
1 1 1 24 8  25 o 1  3.93628e+01 1.18591e+01 5.48065e+01 21.291  4.20029e+00  1.63687e+00  0.00000e+00 0.00000e+00 3.74868e+01 21.291  1.73197e+01 201.291 0.8806 
1 1 1 24 8  26 o 15 4.48005e+01 1.34497e+01 3.15442e+01 185.391 -2.84817e+00 -2.68757e-01 0.00000e+00 0.00000e+00 6.35766e+01 185.391 3.20324e+01 185.391 0.7991 
1 1 1 24 9  0  o 12 5.43936e+01 2.34132e+01 1.10699e+02 180.000 -3.91684e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.83351e+01 180.000 7.23635e+01 0.000   0.9992 
1 1 1 24 9  1  o 7  4.52634e+01 1.28099e+01 6.65709e+01 198.365 -4.62806e+00 -1.53644e+00 0.00000e+00 0.00000e+00 4.39416e+01 198.365 2.26293e+01 18.365  0.8904 
1 1 1 24 9  2  o 19 2.93918e+01 9.90799e+00 3.46652e+01 187.546 -1.91374e+00 -2.53517e-01 0.00000e+00 0.00000e+00 2.06145e+01 187.546 1.40508e+01 7.546   0.6860 
1 1 1 24 9  3  o 14 4.73388e+01 1.23998e+01 4.51657e+01 250.083 -1.20508e+00 -3.32597e+00 0.00000e+00 0.00000e+00 6.42246e+01 250.083 1.90589e+01 250.083 0.8430 
1 1 1 24 9  4  o 9  3.49562e+01 1.11441e+01 4.11942e+00 250.553 -8.49324e-02 -2.40553e-01 0.00000e+00 0.00000e+00 8.00016e+00 250.553 3.88075e+00 250.553 0.1265 
1 1 1 24 9  5  o 2  8.31191e+01 1.10912e+01 1.04928e+02 40.130  1.18313e+01  9.97363e+00  0.00000e+00 0.00000e+00 1.15262e+02 40.130  1.03343e+01 40.130  0.9671 
1 1 1 24 9  6  o 1  4.73772e+01 1.28174e+01 6.42678e+01 142.501 -3.88971e+00 2.98457e+00  0.00000e+00 0.00000e+00 5.13148e+01 142.501 1.29530e+01 322.501 0.8911 
1 1 1 24 9  7  o 12 4.70185e+01 1.25756e+01 1.87489e+01 81.755  2.19725e-01  1.51644e+00  0.00000e+00 0.00000e+00 5.89609e+01 81.755  4.02120e+01 81.755  0.6040 
1 1 1 24 9  8  o 12 8.97078e+01 1.17069e+01 9.36662e+01 51.775  9.49450e+00  1.20545e+01  0.00000e+00 0.00000e+00 1.43509e+02 51.775  4.98426e+01 51.775  0.9668 
1 1 1 24 9  9  o 3  4.46215e+01 1.26573e+01 5.98042e+01 262.855 -5.71796e-01 -4.56113e+00 0.00000e+00 0.00000e+00 4.78726e+01 262.855 1.19316e+01 82.855  0.8831 
1 1 1 24 9  10 o 1  5.64352e+01 1.41581e+01 7.01154e+01 117.097 -2.83008e+00 5.53110e+00  0.00000e+00 0.00000e+00 7.09559e+01 117.097 8.40553e-01 117.097 0.9155 
1 1 1 24 9  11 o 13 6.38702e+01 1.34651e+01 8.02375e+01 177.873 -8.69414e+00 3.22932e-01  0.00000e+00 0.00000e+00 8.36466e+01 177.873 3.40909e+00 177.873 0.9406 
1 1 1 24 9  12 o 12 7.69377e+01 1.16587e+01 9.77874e+01 317.888 1.05552e+01  -9.54131e+00 0.00000e+00 0.00000e+00 1.04368e+02 317.888 6.58096e+00 317.888 0.9642 
1 1 1 24 9  13 o 1  4.46855e+01 1.21330e+01 2.11447e+01 69.818  5.97147e-01  1.62459e+00  0.00000e+00 0.00000e+00 5.77086e+01 69.818  3.65639e+01 69.818  0.6482 
1 1 1 24 9  14 o 9  8.73863e+01 1.07529e+01 9.78671e+01 335.510 1.64387e+01  -7.48808e+00 0.00000e+00 0.00000e+00 1.33063e+02 335.510 3.51955e+01 335.510 0.9719 
1 1 1 24 9  15 o 8  4.40634e+01 1.22834e+01 7.40040e+01 79.298  1.15735e+00  6.12414e+00  0.00000e+00 0.00000e+00 3.55826e+01 79.298  3.84215e+01 259.298 0.9158 
1 1 1 24 9  16 o 4  3.60860e+01 1.12878e+01 3.08490e+01 70.520  7.54753e-01  2.13366e+00  0.00000e+00 0.00000e+00 4.12372e+01 70.520  1.03881e+01 70.520  0.7366 
1 1 1 24 9  17 o 10 1.09251e+02 8.44030e+00 1.25748e+02 85.881  2.36085e+00  3.27870e+01  0.00000e+00 0.00000e+00 1.65580e+02 85.881  3.98326e+01 85.881  0.9847 
1 1 1 24 9  18 o 14 5.43404e+01 1.29511e+01 6.94095e+01 85.694  5.49750e-01  7.30107e+00  0.00000e+00 0.00000e+00 6.70897e+01 85.694  2.31978e+00 265.694 0.9290 
1 1 1 24 9  19 o 9  3.56336e+01 1.12191e+01 4.08224e+01 236.996 -1.72008e+00 -2.64832e+00 0.00000e+00 0.00000e+00 3.81594e+01 236.996 2.66301e+00 56.996  0.8210 
1 1 1 24 9  20 o 11 3.89810e+01 1.14644e+01 2.79051e+01 193.005 -2.33112e+00 -5.38389e-01 0.00000e+00 0.00000e+00 5.11824e+01 193.005 2.32773e+01 193.005 0.7528 
1 1 1 24 9  21 o 11 1.27988e+02 7.15392e+00 1.70175e+02 245.557 -2.58327e+01 -5.68356e+01 0.00000e+00 0.00000e+00 1.71395e+02 245.557 1.22019e+00 245.557 0.9920 
1 1 1 24 9  22 o 4  4.66413e+01 1.26921e+01 3.00964e+01 179.732 -2.78675e+00 1.30241e-02  0.00000e+00 0.00000e+00 6.92155e+01 179.732 3.91191e+01 179.732 0.7929 
1 1 1 24 9  23 o 16 3.80367e+01 1.11512e+01 2.35299e+01 126.669 -1.28298e+00 1.72317e+00  0.00000e+00 0.00000e+00 4.99421e+01 126.669 2.64122e+01 126.669 0.7207 
1 1 1 24 9  24 o 3  4.72678e+01 2.35607e+01 3.10919e+01 67.422  5.67160e-01  1.36398e+00  0.00000e+00 0.00000e+00 4.35589e+01 67.422  1.24669e+01 67.422  0.5904 
1 1 1 24 10 0  f 0  3.60687e+01 2.14876e+01 8.11993e+01 180.000 -2.22989e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.57041e+01 180.000 6.54952e+01 0.000   0.9771 
1 1 1 24 10 1  o 12 5.28451e+01 1.04229e+01 5.65011e+01 323.033 4.88103e+00  -3.67376e+00 0.00000e+00 0.00000e+00 7.62985e+01 323.033 1.97974e+01 323.033 0.9140 
1 1 1 24 10 2  o 1  4.85272e+01 1.25524e+01 3.00111e+01 237.168 -1.41961e+00 -2.20011e+00 0.00000e+00 0.00000e+00 7.36801e+01 237.168 4.36690e+01 237.168 0.7773 
1 1 1 24 10 3  o 8  9.35261e+01 9.58496e+00 9.12259e+01 259.242 -3.41543e+00 -1.79765e+01 0.00000e+00 0.00000e+00 1.58699e+02 259.242 6.74726e+01 259.242 0.9723 
1 1 1 24 10 4  o 14 3.23953e+01 1.06783e+01 2.27405e+01 71.866  4.61131e-01  1.40801e+00  0.00000e+00 0.00000e+00 2.99131e+01 71.866  7.17264e+00 71.866  0.5916 
1 1 1 24 10 5  o 18 3.80161e+01 1.14000e+01 6.43719e+01 212.579 -3.96752e+00 -2.53532e+00 0.00000e+00 0.00000e+00 2.81534e+01 212.579 3.62185e+01 32.579  0.8862 
1 1 1 24 10 6  o 8  3.44842e+01 1.10163e+01 4.27328e+01 263.392 -3.33367e-01 -2.87750e+00 0.00000e+00 0.00000e+00 3.31951e+01 263.392 9.53769e+00 83.392  0.8021 
1 1 1 24 10 7  o 9  8.78821e+01 1.14302e+01 1.16956e+02 59.214  1.00708e+01  1.69035e+01  0.00000e+00 0.00000e+00 1.17957e+02 59.214  1.00128e+00 59.214  0.9742 
1 1 1 24 10 8  o 14 4.13790e+01 1.19018e+01 6.17571e+01 268.692 -1.14944e-01 -5.03481e+00 0.00000e+00 0.00000e+00 3.96985e+01 268.692 2.20586e+01 88.692  0.8942 
1 1 1 24 10 9  o 19 3.23775e+01 1.05081e+01 3.86333e+01 323.673 2.16393e+00  -1.59115e+00 0.00000e+00 0.00000e+00 3.08985e+01 323.673 7.73483e+00 143.673 0.7838 
1 1 1 24 10 10 o 10 3.29571e+01 1.07258e+01 3.13470e+01 209.302 -1.90367e+00 -1.06839e+00 0.00000e+00 0.00000e+00 3.41249e+01 209.302 2.77785e+00 209.302 0.7256 
1 1 1 24 10 11 o 14 4.38624e+01 1.27092e+01 7.14332e+01 320.437 4.50035e+00  -3.71811e+00 0.00000e+00 0.00000e+00 3.77123e+01 320.437 3.37210e+01 140.437 0.9098 
1 1 1 24 10 12 o 3  2.94733e+01 1.01291e+01 3.44901e+01 116.750 -9.99796e-01 1.98353e+00  0.00000e+00 0.00000e+00 2.43777e+01 116.750 1.01124e+01 296.750 0.7310 
1 1 1 24 10 13 o 11 4.44668e+01 1.25021e+01 5.42648e+01 170.125 -4.46377e+00 7.77016e-01  0.00000e+00 0.00000e+00 5.26933e+01 170.125 1.57150e+00 350.125 0.8812 
1 1 1 24 10 14 o 15 3.48144e+01 1.13461e+01 2.20173e+01 138.204 -1.23865e+00 1.10734e+00  0.00000e+00 0.00000e+00 3.81205e+01 138.204 1.61031e+01 138.204 0.6336 
1 1 1 24 10 15 o 15 6.07450e+01 1.31974e+01 8.94070e+01 175.722 -1.03193e+01 7.71898e-01  0.00000e+00 0.00000e+00 6.77908e+01 175.722 2.16162e+01 355.722 0.9504 
1 1 1 24 10 16 o 2  3.29648e+01 1.08118e+01 3.72383e+01 59.083  1.45620e+00  2.43151e+00  0.00000e+00 0.00000e+00 3.42005e+01 59.083  3.03777e+00 239.083 0.7969 
1 1 1 24 10 17 o 7  3.74894e+01 1.16951e+01 1.35080e+01 37.901  8.65176e-01  6.73549e-01  0.00000e+00 0.00000e+00 3.53074e+01 37.901  2.17994e+01 37.901  0.4795 
1 1 1 24 10 18 o 7  3.32689e+01 1.06805e+01 5.88746e+01 346.834 4.35837e+00  -1.01949e+00 0.00000e+00 0.00000e+00 2.04702e+01 346.834 3.84045e+01 166.834 0.8796 
1 1 1 24 10 19 o 16 4.38151e+01 1.25281e+01 4.99954e+01 19.709  4.14375e+00  1.48441e+00  0.00000e+00 0.00000e+00 5.40673e+01 19.709  4.07195e+00 19.709  0.8774 
1 1 1 24 10 20 o 1  5.95230e+01 1.34205e+01 6.75169e+01 302.387 4.38313e+00  -6.91027e+00 0.00000e+00 0.00000e+00 8.31666e+01 302.387 1.56497e+01 302.387 0.9367 
1 1 1 24 10 21 o 2  5.45436e+01 1.56187e+01 2.34532e+01 247.866 -8.32483e-01 -2.04663e+00 0.00000e+00 0.00000e+00 8.38632e+01 247.866 6.04100e+01 247.866 0.7293 
1 1 1 24 11 0  o 8  1.52854e+02 1.01121e+01 1.57210e+02 0.000   3.12292e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.64320e+02 0.000   1.07110e+02 0.000   1.0000 
1 1 1 24 11 1  o 14 5.43600e+01 1.22773e+01 6.42617e+01 166.533 -6.50631e+00 1.55800e+00  0.00000e+00 0.00000e+00 7.39344e+01 166.533 9.67264e+00 166.533 0.9219 
1 1 1 24 11 2  o 11 6.05376e+01 1.23464e+01 7.71297e+01 17.487  8.48809e+00  2.67410e+00  0.00000e+00 0.00000e+00 8.01093e+01 17.487  2.97962e+00 17.487  0.9420 
1 1 1 24 11 3  o 19 3.92916e+01 1.20033e+01 3.46289e+01 221.536 -1.98354e+00 -1.75712e+00 0.00000e+00 0.00000e+00 4.98948e+01 221.536 1.52658e+01 221.536 0.7804 
1 1 1 24 11 4  o 5  5.17766e+01 1.23515e+01 5.54396e+01 164.918 -5.27339e+00 1.42104e+00  0.00000e+00 0.00000e+00 7.34193e+01 164.918 1.79797e+01 164.918 0.9031 
1 1 1 24 11 5  f 0  4.36012e+01 1.22455e+01 7.59363e+01 219.746 -4.87172e+00 -4.05126e+00 0.00000e+00 0.00000e+00 3.42390e+01 219.746 4.16973e+01 39.746  0.9173 
1 1 1 24 11 6  o 8  3.99736e+01 1.20919e+01 5.18118e+01 97.194  -5.00625e-01 3.96618e+00  0.00000e+00 0.00000e+00 4.32218e+01 97.194  8.58992e+00 277.194 0.8634 
1 1 1 24 11 7  o 14 3.39943e+01 1.08703e+01 6.03045e+01 310.582 2.99442e+00  -3.49582e+00 0.00000e+00 0.00000e+00 2.23255e+01 310.582 3.79789e+01 130.582 0.8833 
1 1 1 24 11 8  o 11 5.41614e+01 1.28130e+01 8.12519e+01 196.809 -8.26881e+00 -2.49788e+00 0.00000e+00 0.00000e+00 5.87910e+01 196.809 2.24609e+01 16.809  0.9402 
1 1 1 24 11 9  o 4  1.08515e+02 8.41895e+00 1.26802e+02 20.542  3.37148e+01  1.26334e+01  0.00000e+00 0.00000e+00 1.67238e+02 20.542  4.04363e+01 20.542  0.9860 
1 1 1 24 11 10 o 16 3.93480e+01 1.15875e+01 8.64957e+01 248.108 -2.69814e+00 -6.71451e+00 0.00000e+00 0.00000e+00 1.37777e+01 248.108 7.27180e+01 68.108  0.9281 
1 1 1 24 11 11 o 11 3.52235e+01 1.11637e+01 1.71678e+01 350.041 1.34480e+00  -2.36138e-01 0.00000e+00 0.00000e+00 3.70469e+01 350.041 1.98791e+01 350.041 0.5610 
1 1 1 24 11 12 o 2  1.07755e+02 8.44521e+00 1.30689e+02 9.976   3.73803e+01  6.57505e+00  0.00000e+00 0.00000e+00 1.60712e+02 9.976   3.00230e+01 9.976   0.9867 
1 1 1 24 11 13 o 18 4.35818e+01 1.22591e+01 5.97950e+01 142.418 -4.29797e+00 3.30767e+00  0.00000e+00 0.00000e+00 4.78682e+01 142.418 1.19268e+01 322.418 0.9024 
1 1 1 24 11 14 o 18 3.47270e+01 1.09422e+01 3.65410e+01 161.910 -2.71207e+00 8.85903e-01  0.00000e+00 0.00000e+00 3.92864e+01 161.910 2.74537e+00 161.910 0.7985 
1 1 1 24 11 15 o 7  4.24631e+01 1.24549e+01 3.63435e+01 250.594 -1.03657e+00 -2.94256e+00 0.00000e+00 0.00000e+00 5.85741e+01 250.594 2.22306e+01 250.594 0.8185 
1 1 1 24 11 16 o 9  4.01874e+01 1.22616e+01 3.97845e+01 162.937 -3.39455e+00 1.04190e+00  0.00000e+00 0.00000e+00 5.26941e+01 162.937 1.29096e+01 162.937 0.8437 
1 1 1 24 11 17 o 10 4.29256e+01 1.27960e+01 3.33075e+01 226.883 -2.07936e+00 -2.22077e+00 0.00000e+00 0.00000e+00 6.17479e+01 226.883 2.84405e+01 226.883 0.8131 
1 1 1 24 12 0  o 18 3.22075e+01 1.98588e+01 7.13762e+01 0.000   2.11344e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.51697e+01 0.000   5.62065e+01 180.000 0.9712 
1 1 1 24 12 1  o 2  3.63530e+01 1.11908e+01 4.63510e+01 319.001 2.86175e+00  -2.48760e+00 0.00000e+00 0.00000e+00 3.96420e+01 319.001 6.70899e+00 139.001 0.8550 
1 1 1 24 12 2  o 3  4.89516e+01 1.27979e+01 8.33314e+01 66.974  3.20492e+00  7.54070e+00  0.00000e+00 0.00000e+00 4.35278e+01 66.974  3.98035e+01 246.974 0.9368 
1 1 1 24 12 3  o 1  4.97404e+01 1.28265e+01 7.74052e+01 87.999  2.69320e-01  7.70925e+00  0.00000e+00 0.00000e+00 5.09067e+01 87.999  2.64985e+01 267.999 0.9327 
1 1 1 24 12 4  o 19 2.98876e+01 1.00786e+01 4.13456e+01 131.813 -1.99747e+00 2.23304e+00  0.00000e+00 0.00000e+00 2.55630e+01 131.813 1.57826e+01 311.813 0.8097 
1 1 1 24 12 5  o 7  4.73536e+01 1.23503e+01 3.45151e+01 345.762 3.27765e+00  -8.31705e-01 0.00000e+00 0.00000e+00 7.47216e+01 345.762 4.02065e+01 345.762 0.8347 
1 1 1 24 12 6  o 13 2.78590e+01 9.53001e+00 3.91126e+01 38.886  2.10329e+00  1.69629e+00  0.00000e+00 0.00000e+00 2.13237e+01 38.886  1.77889e+01 218.886 0.7853 
1 1 1 24 12 7  o 10 3.71227e+01 1.11427e+01 8.32273e+01 24.976  6.22381e+00  2.89905e+00  0.00000e+00 0.00000e+00 1.14760e+01 24.976  7.17513e+01 204.976 0.9240 
1 1 1 24 12 8  o 5  3.52669e+01 1.12355e+01 4.03791e+01 70.406  1.05268e+00  2.95726e+00  0.00000e+00 0.00000e+00 3.93884e+01 70.406  9.90690e-01 250.406 0.8198 
1 1 1 24 12 9  o 5  3.90122e+01 1.18178e+01 3.70297e+01 134.905 -2.15570e+00 2.16290e+00  0.00000e+00 0.00000e+00 5.05117e+01 134.905 1.34820e+01 134.905 0.8139 
1 1 1 24 12 10 o 15 5.69388e+01 1.28529e+01 1.13308e+02 206.413 -1.22897e+01 -6.10427e+00 0.00000e+00 0.00000e+00 3.77215e+01 206.413 7.55862e+01 26.414  0.9628 
1 1 1 24 12 11 o 4  4.20395e+01 1.19943e+01 3.70774e+01 269.360 -3.94369e-02 -3.52873e+00 0.00000e+00 0.00000e+00 6.04179e+01 269.360 2.33405e+01 269.360 0.8426 
1 1 1 24 12 12 o 15 7.19682e+01 1.32522e+01 8.25945e+01 34.728  1.00446e+01  6.96244e+00  0.00000e+00 0.00000e+00 1.07014e+02 34.728  2.44192e+01 34.728  0.9582 
1 1 1 25 0  1  o 19 3.62153e+01 2.17889e+01 6.49352e+00 135.000 -1.10656e-01 1.10656e-01  0.00000e+00 0.00000e+00 8.85065e+00 135.000 2.35713e+00 135.000 0.1552 
1 1 1 25 0  2  o 4  1.20132e+02 1.50449e+01 1.50413e+02 180.000 -1.55196e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.77447e+02 180.000 2.70342e+01 180.000 1.0000 
1 1 1 25 0  3  o 13 3.57241e+01 2.24907e+01 1.02748e+02 45.000  1.67823e+00  1.67823e+00  0.00000e+00 0.00000e+00 6.94972e+00 225.000 1.09698e+02 225.000 0.9828 
1 1 1 25 0  4  o 12 2.55088e+01 1.77434e+01 2.00545e+01 270.000 -2.43335e-17 -3.97397e-01 0.00000e+00 0.00000e+00 6.22793e+00 270.000 1.38265e+01 90.000  0.3777 
1 1 1 25 0  5  o 13 4.41564e+01 2.42434e+01 5.63668e+01 135.000 -1.05953e+00 1.05953e+00  0.00000e+00 0.00000e+00 5.25793e+01 135.000 3.78746e+00 315.000 0.9049 
1 1 1 25 0  6  o 18 2.93828e+01 1.97839e+01 3.26335e+01 180.000 -6.87152e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.51061e+01 180.000 1.75274e+01 0.000   0.5961 
1 1 1 25 0  7  o 8  2.39057e+01 1.66262e+01 6.94297e+01 45.000  9.45533e-01  9.45533e-01  0.00000e+00 0.00000e+00 1.27140e+01 225.000 8.21438e+01 225.000 0.8710 
1 1 1 25 0  8  o 12 5.85618e+01 2.46421e+01 4.49189e+01 270.000 -9.48972e-17 -1.54979e+00 0.00000e+00 0.00000e+00 1.00744e+02 270.000 5.58246e+01 270.000 0.9138 
1 1 1 25 0  9  o 16 4.36251e+01 2.33478e+01 1.05783e+02 315.000 2.01949e+00  -2.01949e+00 0.00000e+00 0.00000e+00 1.21002e+01 315.000 9.36831e+01 135.000 0.9934 
1 1 1 25 0  10 o 3  3.53977e+01 2.10772e+01 6.54358e+01 0.000   1.56278e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.26773e+01 0.000   4.27586e+01 180.000 0.9159 
1 1 1 25 0  11 o 14 2.13117e+01 1.51339e+01 1.46768e+01 45.000  1.87079e-01  1.87079e-01  0.00000e+00 0.00000e+00 2.86411e-01 45.000  1.43904e+01 225.000 0.2586 
1 1 1 25 0  12 o 5  5.86516e+01 2.29916e+01 7.39612e+01 90.000  1.66733e-16  2.72295e+00  0.00000e+00 0.00000e+00 8.37780e+01 90.000  9.81682e+00 90.000  0.9914 
1 1 1 25 0  13 o 6  6.27111e+01 2.31260e+01 1.14858e+02 135.000 -3.17140e+00 3.17140e+00  0.00000e+00 0.00000e+00 5.50335e+01 135.000 5.98249e+01 315.000 0.9997 
1 1 1 25 0  14 o 7  4.50001e+01 2.27895e+01 3.76334e-01 0.000   1.13156e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.00184e+00 0.000   6.25508e-01 0.000   0.0113 
1 1 1 25 0  15 o 8  5.37758e+01 2.31174e+01 6.73547e+01 225.000 -1.68339e+00 -1.68339e+00 0.00000e+00 0.00000e+00 7.55500e+01 225.000 8.19524e+00 225.000 0.9830 
1 1 1 25 0  16 o 11 1.85372e+01 1.34595e+01 1.31291e+00 270.000 -1.53376e-18 -2.50482e-02 0.00000e+00 0.00000e+00 5.96609e-02 90.000  1.37258e+00 90.000  0.0250 
1 1 1 25 0  17 o 18 3.15946e+01 1.98732e+01 7.78014e+01 315.000 1.37396e+00  -1.37396e+00 0.00000e+00 0.00000e+00 3.94614e+00 315.000 7.38552e+01 135.000 0.9598 
1 1 1 25 0  18 o 2  4.38505e+01 2.27046e+01 4.93752e+01 180.000 -1.56276e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.87288e+01 180.000 9.35366e+00 180.000 0.9159 
1 1 1 25 0  19 o 8  1.41691e+02 1.01299e+01 1.49746e+02 45.000  1.79588e+01  1.79588e+01  0.00000e+00 0.00000e+00 2.31043e+02 45.000  8.12970e+01 45.000  1.0000 
1 1 1 25 0  20 o 5  3.51909e+01 2.08675e+01 5.69070e+01 90.000  1.00155e-16  1.63566e+00  0.00000e+00 0.00000e+00 3.06029e+01 90.000  2.63041e+01 270.000 0.9269 
1 1 1 25 0  21 o 18 4.46942e+01 2.27419e+01 4.12081e+01 315.000 9.72807e-01  -9.72807e-01 0.00000e+00 0.00000e+00 6.41276e+01 315.000 2.29194e+01 315.000 0.8800 
1 1 1 25 0  22 o 15 3.24270e+01 2.02117e+01 3.49959e+01 180.000 -9.49253e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.91030e+01 180.000 5.89291e+00 0.000   0.7394 
1 1 1 25 0  23 o 4  7.72635e+01 2.74016e+01 9.80036e+01 45.000  3.37692e+00  3.37692e+00  0.00000e+00 0.00000e+00 1.08110e+02 45.000  1.01068e+01 45.000  0.9999 
1 1 1 25 0  24 o 6  1.11838e+02 1.26499e+01 1.32200e+02 270.000 -1.12738e-15 -1.84115e+01 0.00000e+00 0.00000e+00 1.65584e+02 270.000 3.33841e+01 270.000 1.0000 
1 1 1 25 0  25 o 3  5.01235e+01 2.35355e+01 1.13240e+02 315.000 3.08654e+00  -3.08654e+00 0.00000e+00 0.00000e+00 1.98965e+01 315.000 9.33434e+01 135.000 0.9997 
1 1 1 25 0  26 o 1  2.06881e+01 1.47652e+01 3.12149e+01 0.000   7.42840e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.38648e+00 0.000   2.78285e+01 180.000 0.6309 
1 1 1 25 0  27 o 8  3.14586e+01 1.96952e+01 2.62202e+01 225.000 -5.72593e-01 -5.72593e-01 0.00000e+00 0.00000e+00 2.94873e+01 225.000 3.26709e+00 225.000 0.6695 
1 1 1 25 0  28 o 18 3.33194e+01 2.37062e+01 2.19029e+01 90.000  3.56608e-17  5.82384e-01  0.00000e+00 0.00000e+00 2.42048e+01 90.000  2.30190e+00 90.000  0.5244 
1 1 1 25 1  0  o 14 2.93632e+01 1.99439e+01 3.44110e+01 0.000   7.22481e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.51650e+01 0.000   1.92460e+01 180.000 0.6184 
1 1 1 25 1  1  o 3  6.33433e+01 1.19088e+01 7.58508e+01 145.550 -6.37511e+00 4.37333e+00  0.00000e+00 0.00000e+00 8.54649e+01 145.550 9.61404e+00 145.550 0.9329 
1 1 1 25 1  2  o 12 6.53808e+01 1.37160e+01 4.62323e+01 331.808 3.88941e+00  -2.08480e+00 0.00000e+00 0.00000e+00 1.10405e+02 331.808 6.41730e+01 331.808 0.8777 
1 1 1 25 1  3  o 15 4.02125e+01 1.31560e+01 5.84529e+01 121.055 -1.82367e+00 3.02852e+00  0.00000e+00 0.00000e+00 3.40481e+01 121.055 2.44048e+01 301.055 0.8429 
1 1 1 25 1  4  o 15 3.85851e+01 1.23470e+01 4.22578e+01 248.677 -9.30183e-01 -2.38295e+00 0.00000e+00 0.00000e+00 3.89197e+01 248.677 3.33808e+00 68.677  0.7712 
1 1 1 25 1  5  o 15 5.30621e+01 1.39817e+01 5.65068e+01 117.523 -1.98809e+00 3.81527e+00  0.00000e+00 0.00000e+00 6.99959e+01 117.523 1.34892e+01 117.523 0.8742 
1 1 1 25 1  6  o 4  5.61312e+01 1.50145e+01 6.73322e+01 172.807 -5.07557e+00 6.40597e-01  0.00000e+00 0.00000e+00 6.97575e+01 172.807 2.42530e+00 172.807 0.8960 
1 1 1 25 1  7  o 5  9.35211e+01 1.17767e+01 1.22473e+02 280.049 3.20657e+00  -1.80948e+01 0.00000e+00 0.00000e+00 1.25271e+02 280.049 2.79708e+00 280.049 0.9724 
1 1 1 25 1  8  o 10 1.11893e+02 1.02543e+01 1.19988e+02 60.035  1.15802e+01  2.00857e+01  0.00000e+00 0.00000e+00 1.77996e+02 60.035  5.80082e+01 60.035  0.9782 
1 1 1 25 1  9  o 8  8.52603e+01 1.27447e+01 1.27523e+02 310.460 1.07117e+01  -1.25594e+01 0.00000e+00 0.00000e+00 9.72889e+01 310.460 3.02337e+01 130.460 0.9692 
1 1 1 25 1  10 o 18 5.08716e+01 1.21541e+01 4.79772e+01 248.637 -1.38807e+00 -3.54875e+00 0.00000e+00 0.00000e+00 7.03683e+01 248.637 2.23911e+01 248.637 0.8558 
1 1 1 25 1  11 o 5  4.38880e+01 1.25799e+01 2.38603e+01 258.315 -3.25774e-01 -1.57513e+00 0.00000e+00 0.00000e+00 5.02561e+01 258.315 2.63958e+01 258.315 0.6218 
1 1 1 25 1  12 o 11 5.53092e+01 1.30050e+01 9.06474e+01 3.167   7.49403e+00  4.14666e-01  0.00000e+00 0.00000e+00 4.90257e+01 3.167   4.16217e+01 183.167 0.9308 
1 1 1 25 1  13 o 4  5.84832e+01 1.34581e+01 2.40780e+01 89.650  1.25145e-02  2.05080e+00  0.00000e+00 0.00000e+00 8.78155e+01 89.650  6.37375e+01 89.650  0.7059 
1 1 1 25 1  14 o 1  3.95482e+01 1.21306e+01 8.29231e+01 327.682 4.64629e+00  -2.93931e+00 0.00000e+00 0.00000e+00 1.38341e+01 327.682 6.90889e+01 147.682 0.9038 
1 1 1 25 1  15 o 7  4.51606e+01 1.27407e+01 5.46129e+01 184.093 -3.97148e+00 -2.84218e-01 0.00000e+00 0.00000e+00 5.07354e+01 184.093 3.87750e+00 4.093   0.8628 
1 1 1 25 1  16 o 5  4.61517e+01 1.29534e+01 9.04850e+01 176.681 -7.06046e+00 4.09495e-01  0.00000e+00 0.00000e+00 2.49467e+01 176.681 6.55384e+01 356.681 0.9263 
1 1 1 25 1  17 o 1  3.99055e+01 1.20529e+01 5.02299e+01 10.516  3.50298e+00  6.50249e-01  0.00000e+00 0.00000e+00 4.06132e+01 10.516  9.61669e+00 190.516 0.8443 
1 1 1 25 1  18 o 13 1.11802e+02 8.69055e+00 1.42609e+02 85.185  2.98833e+00  3.54744e+01  0.00000e+00 0.00000e+00 1.54120e+02 85.185  1.15109e+01 85.185  0.9859 
1 1 1 25 1  19 o 9  7.20767e+01 1.25507e+01 1.12982e+02 20.530  1.35979e+01  5.09206e+00  0.00000e+00 0.00000e+00 7.39540e+01 20.530  3.90278e+01 200.530 0.9649 
1 1 1 25 1  20 o 7  8.68924e+01 1.09325e+01 6.07215e+01 350.010 1.08076e+01  -1.90372e+00 0.00000e+00 0.00000e+00 1.61548e+02 350.010 1.00826e+02 350.010 0.9533 
1 1 1 25 1  21 o 11 4.09366e+01 1.19317e+01 1.48483e+01 353.185 1.17401e+00  -1.40298e-01 0.00000e+00 0.00000e+00 4.07767e+01 353.185 2.59284e+01 353.185 0.5073 
1 1 1 25 1  22 o 9  4.63487e+01 1.30385e+01 8.71070e+01 344.206 7.03367e+00  -1.98949e+00 0.00000e+00 0.00000e+00 2.79932e+01 344.206 5.91138e+01 164.206 0.9288 
1 1 1 25 1  23 o 3  9.66171e+01 9.92998e+00 8.80182e+01 254.955 -5.20852e+00 -1.93780e+01 0.00000e+00 0.00000e+00 1.63289e+02 254.955 7.52710e+01 254.955 0.9748 
1 1 1 25 1  24 o 1  5.19068e+01 1.34632e+01 6.56361e+01 135.931 -4.56156e+00 4.41562e+00  0.00000e+00 0.00000e+00 6.11834e+01 135.931 4.45272e+00 315.931 0.9175 
1 1 1 25 1  25 o 11 8.22891e+01 1.17819e+01 1.01944e+02 120.978 -9.24697e+00 1.54030e+01  0.00000e+00 0.00000e+00 1.10556e+02 120.978 8.61206e+00 120.978 0.9718 
1 1 1 25 1  26 o 12 4.00850e+01 1.21612e+01 7.40177e+01 180.038 -6.09816e+00 -4.05045e-03 0.00000e+00 0.00000e+00 2.31144e+01 180.038 5.09033e+01 0.038   0.9139 
1 1 1 25 1  27 o 14 3.51130e+01 1.12372e+01 7.16340e+01 66.030  2.43257e+00  5.47126e+00  0.00000e+00 0.00000e+00 1.30987e+01 66.030  5.85353e+01 246.030 0.9122 
1 1 1 25 1  28 o 5  5.07076e+01 2.49821e+01 6.90704e+01 262.806 -4.06267e-01 -3.21851e+00 0.00000e+00 0.00000e+00 4.15432e+01 262.806 2.75272e+01 82.806  0.8265 
1 1 1 25 2  0  o 1  4.45069e+01 2.39487e+01 3.77609e+01 0.000   1.02364e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.60010e+01 0.000   1.82402e+01 0.000   0.7713 
1 1 1 25 2  1  o 3  4.01304e+01 1.23985e+01 6.23010e+01 154.080 -3.51731e+00 1.70946e+00  0.00000e+00 0.00000e+00 3.19541e+01 154.080 3.03469e+01 334.080 0.8600 
1 1 1 25 2  2  o 5  6.36476e+01 1.46211e+01 1.10187e+02 273.604 6.10906e-01  -9.69979e+00 0.00000e+00 0.00000e+00 5.44168e+01 273.604 5.57701e+01 93.604  0.9471 
1 1 1 25 2  3  o 1  3.58622e+01 1.19027e+01 6.53648e+01 115.304 -1.60666e+00 3.39824e+00  0.00000e+00 0.00000e+00 1.82066e+01 115.304 4.71582e+01 295.304 0.8536 
1 1 1 25 2  4  f 0  4.99053e+01 1.33123e+01 9.36685e+01 270.550 6.67119e-02  -6.94767e+00 0.00000e+00 0.00000e+00 3.23155e+01 270.550 6.13531e+01 90.550  0.9249 
1 1 1 25 2  5  o 17 6.33972e+01 1.48108e+01 9.51585e+01 295.481 3.54986e+00  -7.44880e+00 0.00000e+00 0.00000e+00 6.69576e+01 295.481 2.82009e+01 115.481 0.9373 
1 1 1 25 2  6  o 19 4.17417e+01 1.31177e+01 4.89048e+01 347.192 2.97482e+00  -6.76318e-01 0.00000e+00 0.00000e+00 4.37130e+01 347.192 5.19173e+00 167.192 0.8137 
1 1 1 25 2  7  o 18 4.32926e+01 1.32854e+01 1.28030e+01 156.749 -7.52894e-01 3.23484e-01  0.00000e+00 0.00000e+00 3.18898e+01 156.749 1.90867e+01 156.749 0.3788 
1 1 1 25 2  8  o 5  7.44786e+01 1.36050e+01 1.27907e+02 178.767 -1.38125e+01 2.97197e-01  0.00000e+00 0.00000e+00 6.74623e+01 178.767 6.04445e+01 358.767 0.9631 
1 1 1 25 2  9  o 2  3.65062e+01 1.16909e+01 5.61077e+01 331.976 2.89187e+00  -1.53919e+00 0.00000e+00 0.00000e+00 2.62087e+01 331.976 2.98990e+01 151.976 0.8285 
1 1 1 25 2  10 o 5  9.19470e+01 1.08914e+01 1.04149e+02 41.159  1.20817e+01  1.05614e+01  0.00000e+00 0.00000e+00 1.37974e+02 41.159  3.38251e+01 41.159  0.9683 
1 1 1 25 2  11 o 18 6.06274e+01 1.38189e+01 9.96102e+01 334.059 7.79053e+00  -3.78983e+00 0.00000e+00 0.00000e+00 5.52922e+01 334.059 4.43180e+01 154.059 0.9404 
1 1 1 25 2  12 o 14 9.07125e+01 1.04559e+01 1.12487e+02 305.237 1.00047e+01  -1.41633e+01 0.00000e+00 0.00000e+00 1.26524e+02 305.237 1.40374e+01 305.237 0.9707 
1 1 1 25 2  13 o 12 5.84861e+01 1.36178e+01 6.06691e+01 223.492 -3.97534e+00 -3.77137e+00 0.00000e+00 0.00000e+00 8.25941e+01 223.492 2.19250e+01 223.492 0.9034 
1 1 1 25 2  14 o 2  7.97586e+01 1.19096e+01 1.05754e+02 255.369 -3.60687e+00 -1.38164e+01 0.00000e+00 0.00000e+00 1.02542e+02 255.369 3.21202e+00 75.369  0.9643 
1 1 1 25 2  15 o 5  4.13522e+01 1.23305e+01 8.49952e+01 253.697 -1.62562e+00 -5.55809e+00 0.00000e+00 0.00000e+00 1.66745e+01 253.697 6.83207e+01 73.697  0.9090 
1 1 1 25 2  16 o 5  3.64008e+01 1.16680e+01 1.42780e+01 63.895  4.16531e-01  8.50049e-01  0.00000e+00 0.00000e+00 2.77222e+01 63.895  1.34442e+01 63.895  0.4272 
1 1 1 25 2  17 o 2  8.13437e+01 1.18268e+01 9.68776e+01 81.598  2.06878e+00  1.40056e+01  0.00000e+00 0.00000e+00 1.14638e+02 81.598  1.77607e+01 81.598  0.9640 
1 1 1 25 2  18 o 4  3.90291e+01 1.18040e+01 6.21583e+00 266.653 -2.64748e-02 -4.52714e-01 0.00000e+00 0.00000e+00 1.70262e+01 266.653 1.08104e+01 266.653 0.2211 
1 1 1 25 2  19 o 16 4.50806e+01 1.26342e+01 6.23590e+01 276.678 5.78748e-01  -4.94283e+00 0.00000e+00 0.00000e+00 4.58719e+01 276.678 1.64871e+01 96.678  0.8928 
1 1 1 25 2  20 o 11 5.49830e+01 1.27129e+01 5.73424e+01 239.310 -2.98890e+00 -5.03586e+00 0.00000e+00 0.00000e+00 7.69830e+01 239.310 1.96407e+01 239.310 0.9101 
1 1 1 25 2  21 o 16 5.77454e+01 1.25662e+01 5.08202e+01 171.089 -5.42371e+00 8.50401e-01  0.00000e+00 0.00000e+00 8.90090e+01 171.089 3.81888e+01 171.089 0.9036 
1 1 1 25 2  22 o 16 4.57928e+01 1.27158e+01 5.90169e+01 130.615 -3.24393e+00 3.78277e+00  0.00000e+00 0.00000e+00 5.03609e+01 130.615 8.65600e+00 310.615 0.8930 
1 1 1 25 2  23 o 17 4.18996e+01 1.26646e+01 7.06372e+01 197.233 -5.57288e+00 -1.72863e+00 0.00000e+00 0.00000e+00 3.11179e+01 197.233 3.95194e+01 17.233  0.9097 
1 1 1 25 2  24 o 11 5.43875e+01 1.34037e+01 3.78237e+01 154.940 -3.58588e+00 1.67668e+00  0.00000e+00 0.00000e+00 8.70645e+01 154.940 4.92408e+01 154.940 0.8619 
1 1 1 25 2  25 o 8  4.15887e+01 1.23889e+01 6.79769e+01 86.460  3.58183e-01  5.78948e+00  0.00000e+00 0.00000e+00 3.25427e+01 86.460  3.54342e+01 266.460 0.9091 
1 1 1 25 2  26 o 17 5.77937e+01 1.32094e+01 7.07019e+01 149.328 -6.72284e+00 3.98729e+00  0.00000e+00 0.00000e+00 7.24351e+01 149.328 1.73317e+00 149.328 0.9336 
1 1 1 25 2  27 o 6  4.36732e+01 1.23888e+01 7.56189e+01 80.979  1.13337e+00  7.13855e+00  0.00000e+00 0.00000e+00 3.16453e+01 80.979  4.39735e+01 260.979 0.9280 
1 1 1 25 3  0  o 11 9.28696e+01 1.63019e+01 7.35209e+01 0.000   5.55235e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.80296e+02 0.000   1.06775e+02 0.000   1.0000 
1 1 1 25 3  1  o 16 3.85456e+01 1.20753e+01 4.37228e+01 350.217 2.62523e+00  -4.52633e-01 0.00000e+00 0.00000e+00 3.86274e+01 350.217 5.09540e+00 170.217 0.7817 
1 1 1 25 3  2  o 19 4.65067e+01 1.30338e+01 7.73886e+01 340.072 5.08192e+00  -1.84247e+00 0.00000e+00 0.00000e+00 3.72451e+01 340.072 4.01435e+01 160.072 0.9020 
1 1 1 25 3  3  o 11 4.46007e+01 1.31623e+01 9.36487e+01 83.130  7.44753e-01  6.18115e+00  0.00000e+00 0.00000e+00 1.79354e+01 83.130  7.57133e+01 263.130 0.9157 
1 1 1 25 3  4  o 4  7.05895e+01 1.40161e+01 1.32546e+02 206.023 -1.19561e+01 -5.83724e+00 0.00000e+00 0.00000e+00 5.28579e+01 206.023 7.96884e+01 26.023  0.9617 
1 1 1 25 3  5  o 9  4.15873e+01 1.30046e+01 3.95343e+01 160.180 -2.31977e+00 8.36097e-01  0.00000e+00 0.00000e+00 4.68965e+01 160.180 7.36225e+00 160.180 0.7612 
1 1 1 25 3  6  o 3  3.40138e+01 1.14590e+01 5.04873e+01 237.009 -1.51744e+00 -2.33745e+00 0.00000e+00 0.00000e+00 2.31096e+01 237.009 2.73777e+01 57.009  0.7929 
1 1 1 25 3  7  o 10 7.76413e+01 1.48236e+01 1.05626e+02 16.179  1.06713e+01  3.09597e+00  0.00000e+00 0.00000e+00 9.63641e+01 16.179  9.26171e+00 196.178 0.9539 
1 1 1 25 3  8  o 19 4.43325e+01 1.30630e+01 5.63385e+01 319.732 2.85821e+00  -2.42121e+00 0.00000e+00 0.00000e+00 4.67300e+01 319.732 9.60851e+00 139.732 0.8530 
1 1 1 25 3  9  o 1  3.76155e+01 1.18818e+01 3.45256e+01 291.434 7.55394e-01  -1.92422e+00 0.00000e+00 0.00000e+00 3.80603e+01 291.434 3.53469e+00 291.434 0.7085 
1 1 1 25 3  10 o 17 5.14530e+01 1.34054e+01 3.78213e+01 298.596 1.36471e+00  -2.50351e+00 0.00000e+00 0.00000e+00 7.39672e+01 298.596 3.61459e+01 298.596 0.7984 
1 1 1 25 3  11 o 3  4.11690e+01 1.23706e+01 8.34778e+01 194.673 -5.12884e+00 -1.34290e+00 0.00000e+00 0.00000e+00 1.72566e+01 194.673 6.62212e+01 14.673  0.8999 
1 1 1 25 3  12 f 0  1.37323e+02 7.72738e+00 1.76156e+02 246.322 -2.03613e+01 -4.64320e+01 0.00000e+00 0.00000e+00 1.93144e+02 246.322 1.69872e+01 246.322 0.9901 
1 1 1 25 3  13 o 4  1.20101e+02 8.16667e+00 1.64865e+02 175.572 -4.03863e+01 3.12756e+00  0.00000e+00 0.00000e+00 1.56955e+02 175.572 7.91003e+00 355.572 0.9876 
1 1 1 25 3  14 o 12 4.77463e+01 1.26829e+01 5.19686e+01 135.157 -3.03301e+00 3.01641e+00  0.00000e+00 0.00000e+00 6.10488e+01 135.157 9.08025e+00 135.157 0.8734 
1 1 1 25 3  15 f 0  4.32911e+01 1.25724e+01 5.52908e+01 182.627 -4.13341e+00 -1.89647e-01 0.00000e+00 0.00000e+00 4.64916e+01 182.627 8.79918e+00 2.627   0.8686 
1 1 1 25 3  16 o 11 4.25165e+01 1.23717e+01 2.63528e+01 165.750 -1.89172e+00 4.80438e-01  0.00000e+00 0.00000e+00 5.29117e+01 165.750 2.65589e+01 165.750 0.6897 
1 1 1 25 3  17 o 10 4.38777e+01 1.26364e+01 4.29946e+01 279.535 5.56119e-01  -3.31079e+00 0.00000e+00 0.00000e+00 5.56971e+01 279.535 1.27025e+01 279.535 0.8333 
1 1 1 25 3  18 o 3  4.10166e+01 1.22261e+01 3.80239e+01 153.368 -2.53188e+00 1.26962e+00  0.00000e+00 0.00000e+00 5.00590e+01 153.368 1.20351e+01 153.368 0.7968 
1 1 1 25 3  19 o 18 5.56642e+01 1.32309e+01 4.95007e+01 85.539  3.85527e-01  4.94194e+00  0.00000e+00 0.00000e+00 8.41654e+01 85.539  3.46647e+01 85.539  0.8924 
1 1 1 25 3  20 o 8  8.71712e+01 1.16107e+01 1.41909e+02 90.535  -2.29858e-01 2.46033e+01  0.00000e+00 0.00000e+00 8.74566e+01 90.535  5.44522e+01 270.535 0.9795 
1 1 1 25 3  21 o 10 7.89923e+01 1.15366e+01 1.00955e+02 192.524 -1.54733e+01 -3.43720e+00 0.00000e+00 0.00000e+00 1.04078e+02 192.524 3.12253e+00 192.524 0.9679 
1 1 1 25 3  22 f 0  5.21778e+01 1.31942e+01 4.47980e+01 88.300  1.32166e-01  4.45257e+00  0.00000e+00 0.00000e+00 7.79622e+01 88.300  3.31642e+01 88.300  0.8790 
1 1 1 25 3  23 o 12 3.91209e+01 1.18682e+01 3.68139e+01 336.537 2.73633e+00  -1.18771e+00 0.00000e+00 0.00000e+00 4.77056e+01 336.537 1.08917e+01 336.537 0.8087 
1 1 1 25 3  24 o 6  3.55158e+01 1.14055e+01 2.77844e+01 302.243 1.15660e+00  -1.83362e+00 0.00000e+00 0.00000e+00 4.07226e+01 302.243 1.29381e+01 302.243 0.7235 
1 1 1 25 3  25 o 1  3.30396e+01 1.08299e+01 2.14261e+01 86.060  1.09148e-01  1.58492e+00  0.00000e+00 0.00000e+00 3.28344e+01 86.060  1.14083e+01 86.060  0.6173 
1 1 1 25 3  26 o 6  3.78622e+01 1.17593e+01 2.29628e+01 66.033  8.10563e-01  1.82336e+00  0.00000e+00 0.00000e+00 4.70935e+01 66.033  2.41307e+01 66.033  0.6970 
1 1 1 25 3  27 o 7  4.33841e+01 2.18298e+01 4.47303e+01 108.988 -7.12534e-01 2.07081e+00  0.00000e+00 0.00000e+00 3.87619e+01 108.988 5.96840e+00 288.988 0.7266 
1 1 1 25 4  0  o 4  4.59212e+01 2.29487e+01 1.43406e+02 0.000   4.13131e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.78373e+01 180.000 1.61244e+02 180.000 0.9995 
1 1 1 25 4  1  o 3  4.50264e+01 1.31573e+01 6.72754e+01 331.629 3.95619e+00  -2.13654e+00 0.00000e+00 0.00000e+00 4.11504e+01 331.629 2.61249e+01 151.629 0.8802 
1 1 1 25 4  2  o 11 4.60015e+01 1.31841e+01 1.02892e+02 216.609 -5.62914e+00 -4.18198e+00 0.00000e+00 0.00000e+00 1.35867e+01 216.609 8.93053e+01 36.609  0.9257 
1 1 1 25 4  3  o 19 6.85841e+01 1.32034e+01 6.67623e+01 277.162 8.44371e-01  -6.71930e+00 0.00000e+00 0.00000e+00 1.06339e+02 277.162 3.95767e+01 277.162 0.9229 
1 1 1 25 4  4  o 14 4.05676e+01 1.21902e+01 3.35392e+01 125.791 -1.25141e+00 1.73569e+00  0.00000e+00 0.00000e+00 4.62544e+01 125.791 1.27153e+01 125.791 0.7194 
1 1 1 25 4  5  o 18 7.47743e+01 1.41107e+01 1.07878e+02 193.139 -1.11306e+01 -2.59812e+00 0.00000e+00 0.00000e+00 8.73179e+01 193.139 2.05603e+01 13.139  0.9552 
1 1 1 25 4  6  o 8  4.01002e+01 1.26392e+01 5.44289e+01 92.095  -1.22190e-01 3.34021e+00  0.00000e+00 0.00000e+00 3.67537e+01 92.095  1.76752e+01 272.095 0.8324 
1 1 1 25 4  7  o 10 5.47595e+01 1.42875e+01 5.17593e+01 37.303  3.15400e+00  2.40297e+00  0.00000e+00 0.00000e+00 7.71327e+01 37.303  2.53734e+01 37.303  0.8622 
1 1 1 25 4  8  o 5  7.10596e+01 1.21506e+01 7.17561e+01 224.900 -5.65104e+00 -5.63141e+00 0.00000e+00 0.00000e+00 1.09524e+02 224.900 3.77681e+01 224.900 0.9350 
1 1 1 25 4  9  o 12 6.96216e+01 1.32802e+01 6.65897e+01 27.682  6.47839e+00  3.39865e+00  0.00000e+00 0.00000e+00 1.09725e+02 27.682  4.31349e+01 27.682  0.9289 
1 1 1 25 4  10 o 1  4.73370e+01 1.24161e+01 1.07550e+02 197.863 -8.00912e+00 -2.58124e+00 0.00000e+00 0.00000e+00 1.34760e+01 197.863 9.40739e+01 17.864  0.9386 
1 1 1 25 4  11 o 7  5.09144e+01 1.16831e+01 3.95488e+01 186.050 -3.43630e+00 -3.64226e-01 0.00000e+00 0.00000e+00 7.66758e+01 186.050 3.71270e+01 186.050 0.8387 
1 1 1 25 4  12 o 14 1.17782e+02 8.19307e+00 1.51201e+02 62.648  1.66867e+01  3.22583e+01  0.00000e+00 0.00000e+00 1.64597e+02 62.648  1.33964e+01 62.648  0.9861 
1 1 1 25 4  13 o 14 4.16759e+01 1.22506e+01 3.63526e+01 121.996 -1.41719e+00 2.26833e+00  0.00000e+00 0.00000e+00 5.22453e+01 121.996 1.58928e+01 121.996 0.7827 
1 1 1 25 4  14 o 4  4.07614e+01 1.21535e+01 4.30236e+01 216.017 -2.50935e+00 -1.82430e+00 0.00000e+00 0.00000e+00 4.73498e+01 216.017 4.32628e+00 216.017 0.8173 
1 1 1 25 4  15 o 7  5.29121e+01 1.29334e+01 3.16658e+01 124.909 -1.68047e+00 2.40805e+00  0.00000e+00 0.00000e+00 8.37651e+01 124.909 5.20993e+01 124.909 0.8052 
1 1 1 25 4  16 o 5  4.58380e+01 1.26417e+01 4.08660e+01 17.672  3.17221e+00  1.01069e+00  0.00000e+00 0.00000e+00 6.22844e+01 17.672  2.14184e+01 17.672  0.8317 
1 1 1 25 4  17 o 15 3.37412e+01 1.09133e+01 4.80885e+01 151.278 -2.97421e+00 1.62980e+00  0.00000e+00 0.00000e+00 2.80571e+01 151.278 2.00315e+01 331.278 0.8352 
1 1 1 25 4  18 o 8  6.55147e+01 1.29049e+01 7.43651e+01 132.283 -6.01780e+00 6.61743e+00  0.00000e+00 0.00000e+00 9.21911e+01 132.283 1.78260e+01 132.283 0.9423 
1 1 1 25 4  19 o 3  5.53980e+01 1.27285e+01 4.49405e+01 339.004 4.30863e+00  -1.65361e+00 0.00000e+00 0.00000e+00 8.69120e+01 339.004 4.19715e+01 339.004 0.8836 
1 1 1 25 4  20 o 8  5.16284e+01 1.27786e+01 5.80593e+01 245.658 -2.27276e+00 -5.02380e+00 0.00000e+00 0.00000e+00 6.74552e+01 245.658 9.39595e+00 245.658 0.9041 
1 1 1 25 4  21 o 15 4.08419e+01 1.19573e+01 4.16720e+01 45.968  2.44931e+00  2.53348e+00  0.00000e+00 0.00000e+00 5.06754e+01 45.968  9.00337e+00 45.968  0.8423 
1 1 1 25 4  22 o 14 3.82786e+01 1.16520e+01 5.61474e+01 72.146  1.38506e+00  4.30013e+00  0.00000e+00 0.00000e+00 3.41932e+01 72.146  2.19541e+01 252.146 0.8808 
1 1 1 25 4  23 o 2  3.20699e+01 1.05951e+01 1.15023e+01 71.260  2.74992e-01  8.10543e-01  0.00000e+00 0.00000e+00 2.22028e+01 71.260  1.07005e+01 71.260  0.3930 
1 1 1 25 4  24 o 12 3.82142e+01 1.17833e+01 4.26921e+01 250.951 -1.12382e+00 -3.25470e+00 0.00000e+00 0.00000e+00 4.27781e+01 250.951 8.60040e-02 250.951 0.8381 
1 1 1 25 4  25 o 18 3.86775e+01 1.19800e+01 6.07554e+01 40.353  4.04913e+00  3.44033e+00  0.00000e+00 0.00000e+00 3.19637e+01 40.353  2.87917e+01 220.353 0.9002 
1 1 1 25 4  26 o 15 4.53840e+01 1.56005e+01 6.49237e+00 146.188 -4.24087e-01 2.84026e-01  0.00000e+00 0.00000e+00 2.33238e+01 146.188 1.68314e+01 146.188 0.2472 
1 1 1 25 5  0  o 16 9.72177e+01 1.38707e+01 6.84775e+01 0.000   5.86715e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.97832e+02 0.000   1.29355e+02 0.000   1.0000 
1 1 1 25 5  1  o 2  9.74866e+01 1.07039e+01 1.36046e+02 280.254 3.98410e+00  -2.20230e+01 0.00000e+00 0.00000e+00 1.24957e+02 280.254 1.10885e+01 100.254 0.9774 
1 1 1 25 5  2  o 10 3.63381e+01 1.14531e+01 6.30145e+01 280.338 6.67507e-01  -3.65915e+00 0.00000e+00 0.00000e+00 2.17614e+01 280.338 4.12531e+01 100.338 0.8518 
1 1 1 25 5  3  f 0  3.76246e+01 1.18150e+01 4.60512e+01 110.339 -9.59513e-01 2.58851e+00  0.00000e+00 0.00000e+00 3.54026e+01 110.339 1.06487e+01 290.339 0.7906 
1 1 1 25 5  4  o 4  6.82960e+01 1.33134e+01 7.92112e+01 140.318 -6.12405e+00 5.08103e+00  0.00000e+00 0.00000e+00 9.55710e+01 140.318 1.63598e+01 140.318 0.9349 
1 1 1 25 5  5  f 0  3.58530e+01 1.15338e+01 4.98355e+01 312.663 2.10912e+00  -2.28859e+00 0.00000e+00 0.00000e+00 3.04123e+01 312.663 1.94233e+01 132.663 0.8180 
1 1 1 25 5  6  o 17 4.37569e+01 1.28819e+01 4.78844e+01 15.144  3.26191e+00  8.82822e-01  0.00000e+00 0.00000e+00 5.19932e+01 15.144  4.10882e+00 15.144  0.8345 
1 1 1 25 5  7  o 1  3.99032e+01 1.23111e+01 5.07200e+01 283.733 7.98874e-01  -3.26884e+00 0.00000e+00 0.00000e+00 4.02219e+01 283.733 1.04981e+01 103.733 0.8337 
1 1 1 25 5  8  o 16 5.02110e+01 1.33317e+01 7.09304e+01 140.446 -4.30117e+00 3.55236e+00  0.00000e+00 0.00000e+00 5.32422e+01 140.446 1.76882e+01 320.446 0.9053 
1 1 1 25 5  9  o 4  3.55749e+01 1.15329e+01 1.83622e+01 94.686  -9.22001e-02 1.12489e+00  0.00000e+00 0.00000e+00 2.92350e+01 94.686  1.08728e+01 94.686  0.4901 
1 1 1 25 5  10 f 0  6.53124e+01 1.34141e+01 7.72457e+01 93.818  -5.54447e-01 8.30915e+00  0.00000e+00 0.00000e+00 8.98326e+01 93.818  1.25869e+01 93.818  0.9379 
1 1 1 25 5  11 o 17 4.92651e+01 1.25660e+01 2.33571e+01 139.641 -1.51870e+00 1.29066e+00  0.00000e+00 0.00000e+00 7.01670e+01 139.641 4.68099e+01 139.641 0.6966 
1 1 1 25 5  12 o 7  4.01362e+01 1.22869e+01 6.81765e+01 243.078 -2.17501e+00 -4.28307e+00 0.00000e+00 0.00000e+00 2.89202e+01 243.078 3.92563e+01 63.078  0.8886 
1 1 1 25 5  13 o 5  4.53539e+01 1.29787e+01 7.10964e+01 104.977 -1.45689e+00 5.44604e+00  0.00000e+00 0.00000e+00 4.06888e+01 104.977 3.04075e+01 284.977 0.9063 
1 1 1 25 5  14 o 1  4.13026e+01 1.23494e+01 3.55423e+01 335.701 2.42303e+00  -1.09400e+00 0.00000e+00 0.00000e+00 5.21002e+01 335.701 1.65579e+01 335.701 0.7812 
1 1 1 25 5  15 o 9  4.84202e+01 1.31248e+01 7.05330e+01 9.330   6.13143e+00  1.00734e+00  0.00000e+00 0.00000e+00 4.97335e+01 9.330   2.07995e+01 189.330 0.9156 
1 1 1 25 5  16 o 14 8.82468e+01 1.07956e+01 1.19686e+02 73.659  6.24195e+00  2.12894e+01  0.00000e+00 0.00000e+00 1.13947e+02 73.659  5.73913e+00 253.659 0.9772 
1 1 1 25 5  17 o 11 5.29457e+01 1.30040e+01 4.91286e+01 351.877 4.68771e+00  -6.69060e-01 0.00000e+00 0.00000e+00 7.79051e+01 351.877 2.87765e+01 351.877 0.8869 
1 1 1 25 5  18 o 5  4.20796e+01 1.19823e+01 6.69930e+01 346.935 5.32650e+00  -1.23607e+00 0.00000e+00 0.00000e+00 3.56763e+01 346.935 3.13167e+01 166.935 0.9032 
1 1 1 25 5  19 f 0  5.94140e+01 1.33012e+01 6.02248e+01 233.252 -4.06053e+00 -5.43809e+00 0.00000e+00 0.00000e+00 8.76892e+01 233.252 2.74645e+01 233.252 0.9231 
1 1 1 25 5  20 o 17 7.28780e+01 1.25496e+01 9.45143e+01 176.075 -1.36571e+01 9.37086e-01  0.00000e+00 0.00000e+00 9.44005e+01 176.075 1.13814e-01 356.075 0.9628 
1 1 1 25 5  21 o 15 4.86093e+01 1.25708e+01 5.31248e+01 214.450 -4.34207e+00 -2.97867e+00 0.00000e+00 0.00000e+00 6.43545e+01 214.450 1.12297e+01 214.450 0.8992 
1 1 1 25 5  22 o 7  2.98241e+01 1.00846e+01 6.74896e+01 273.023 2.54461e-01  -4.81916e+00 0.00000e+00 0.00000e+00 3.65437e+00 273.023 6.38353e+01 93.023  0.8892 
1 1 1 25 5  23 o 12 3.62977e+01 1.14482e+01 2.54183e+01 264.308 -1.97353e-01 -1.98005e+00 0.00000e+00 0.00000e+00 4.22351e+01 264.308 1.68168e+01 264.308 0.6961 
1 1 1 25 5  24 o 6  3.97380e+01 1.20495e+01 4.22706e+01 0.186   3.77693e+00  1.22500e-02  0.00000e+00 0.00000e+00 4.84499e+01 0.186   6.17927e+00 0.186   0.8544 
1 1 1 25 5  25 o 1  4.36207e+01 2.19997e+01 3.67358e+01 347.457 1.74055e+00  -3.87246e-01 0.00000e+00 0.00000e+00 3.98851e+01 347.457 3.14928e+00 347.457 0.6587 
1 1 1 25 6  0  o 14 3.54707e+01 2.12616e+01 1.23852e+01 0.000   3.11719e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.70051e+01 0.000   4.61985e+00 0.000   0.3020 
1 1 1 25 6  1  o 10 4.18704e+01 1.24221e+01 4.68694e+01 252.723 -9.61216e-01 -3.09041e+00 0.00000e+00 0.00000e+00 4.80211e+01 252.723 1.15172e+00 252.723 0.8261 
1 1 1 25 6  2  o 17 5.83011e+01 1.29198e+01 1.01696e+02 107.841 -2.91147e+00 9.04609e+00  0.00000e+00 0.00000e+00 4.95700e+01 107.841 5.21256e+01 287.841 0.9458 
1 1 1 25 6  3  o 7  6.39551e+01 1.30628e+01 1.12891e+02 14.579  1.11018e+01  2.88753e+00  0.00000e+00 0.00000e+00 5.46814e+01 14.579  5.82100e+01 194.579 0.9554 
1 1 1 25 6  4  f 0  4.08723e+01 1.23629e+01 6.81691e+01 117.176 -2.24310e+00 4.36912e+00  0.00000e+00 0.00000e+00 3.17096e+01 117.176 3.64595e+01 297.176 0.8913 
1 1 1 25 6  5  o 12 4.25434e+01 1.21632e+01 5.01230e+01 148.323 -3.23325e+00 1.99508e+00  0.00000e+00 0.00000e+00 4.96073e+01 148.323 5.15671e-01 328.323 0.8553 
1 1 1 25 6  6  o 3  4.15948e+01 1.20672e+01 2.70593e+01 28.533  1.76921e+00  9.61906e-01  0.00000e+00 0.00000e+00 5.27048e+01 28.533  2.56455e+01 28.533  0.7000 
1 1 1 25 6  7  o 19 3.15046e+01 1.03813e+01 5.27804e+01 250.541 -1.09026e+00 -3.08584e+00 0.00000e+00 0.00000e+00 1.86638e+01 250.541 3.41166e+01 70.541  0.8283 
1 1 1 25 6  8  o 7  4.99459e+01 1.27246e+01 2.83617e+01 106.303 -6.81694e-01 2.33082e+00  0.00000e+00 0.00000e+00 7.50849e+01 106.303 4.67232e+01 106.303 0.7570 
1 1 1 25 6  9  o 12 4.98681e+01 1.30912e+01 5.40005e+01 41.212  3.39039e+00  2.96930e+00  0.00000e+00 0.00000e+00 6.60538e+01 41.212  1.20533e+01 41.212  0.8805 
1 1 1 25 6  10 f 0  3.79180e+01 1.19692e+01 5.59912e+01 52.430  2.40939e+00  3.13200e+00  0.00000e+00 0.00000e+00 3.32616e+01 52.430  2.27295e+01 232.430 0.8616 
1 1 1 25 6  11 o 1  6.14135e+01 1.35211e+01 6.15618e+01 58.132  3.36767e+00  5.41704e+00  0.00000e+00 0.00000e+00 9.22906e+01 58.132  3.07288e+01 58.132  0.9179 
1 1 1 25 6  12 o 14 4.64952e+01 1.29707e+01 4.64671e+01 244.175 -1.63850e+00 -3.38562e+00 0.00000e+00 0.00000e+00 6.17582e+01 244.175 1.52911e+01 244.175 0.8537 
1 1 1 25 6  13 o 15 3.77620e+01 1.16250e+01 3.96200e+01 98.959  -4.66221e-01 2.95746e+00  0.00000e+00 0.00000e+00 4.36434e+01 98.959  4.02337e+00 98.959  0.8095 
1 1 1 25 6  14 o 19 7.08692e+01 1.29652e+01 5.62050e+01 288.592 2.32488e+00  -6.91124e+00 0.00000e+00 0.00000e+00 1.22842e+02 288.592 6.66372e+01 288.592 0.9287 
1 1 1 25 6  15 o 9  4.21705e+01 1.26149e+01 2.82516e+01 174.921 -2.22054e+00 1.97372e-01  0.00000e+00 0.00000e+00 5.56296e+01 174.921 2.73780e+01 174.921 0.7321 
1 1 1 25 6  16 o 9  3.84546e+01 1.19195e+01 3.91031e+01 6.387   2.91182e+00  3.25954e-01  0.00000e+00 0.00000e+00 4.48623e+01 6.387   5.75916e+00 6.387   0.8047 
1 1 1 25 6  17 o 12 4.21794e+01 1.24463e+01 3.70379e+01 329.786 2.71521e+00  -1.58115e+00 0.00000e+00 0.00000e+00 5.66767e+01 329.786 1.96387e+01 329.786 0.8200 
1 1 1 25 6  18 o 12 4.33660e+01 1.25508e+01 4.17542e+01 22.801  3.32080e+00  1.39601e+00  0.00000e+00 0.00000e+00 5.75387e+01 22.801  1.57846e+01 22.801  0.8463 
1 1 1 25 6  19 o 10 8.15786e+01 1.17706e+01 7.63501e+01 220.476 -1.02235e+01 -8.72421e+00 0.00000e+00 0.00000e+00 1.35651e+02 220.476 5.93004e+01 220.476 0.9620 
1 1 1 25 6  20 o 14 5.85085e+01 1.35881e+01 1.18021e+02 165.819 -1.26887e+01 3.20624e+00  0.00000e+00 0.00000e+00 3.36059e+01 165.819 8.44153e+01 345.819 0.9610 
1 1 1 25 6  21 o 1  4.21559e+01 1.20338e+01 7.89957e+01 203.152 -6.36838e+00 -2.72317e+00 0.00000e+00 0.00000e+00 2.59403e+01 203.152 5.30554e+01 23.152  0.9247 
1 1 1 25 6  22 o 15 5.79672e+01 1.25144e+01 6.83328e+01 216.231 -6.40354e+00 -4.69204e+00 0.00000e+00 0.00000e+00 7.72537e+01 216.231 8.92097e+00 216.231 0.9347 
1 1 1 25 6  23 o 5  3.87075e+01 1.19833e+01 6.39528e+01 11.711  5.46543e+00  1.13295e+00  0.00000e+00 0.00000e+00 3.00233e+01 11.711  3.39295e+01 191.711 0.9053 
1 1 1 25 7  0  o 14 7.99228e+01 1.85726e+01 1.24726e+02 0.000   8.65872e+00  0.00000e+00  0.00000e+00 0.00000e+00 9.49593e+01 0.000   2.97666e+01 180.000 1.0000 
1 1 1 25 7  1  o 18 6.51350e+01 1.23190e+01 8.57487e+01 7.422   1.01208e+01  1.31845e+00  0.00000e+00 0.00000e+00 8.42708e+01 7.422   1.47791e+00 187.422 0.9497 
1 1 1 25 7  2  o 15 3.71962e+01 1.14810e+01 1.38734e+01 25.180  8.98023e-01  4.22190e-01  0.00000e+00 0.00000e+00 3.14794e+01 25.180  1.76060e+01 25.180  0.4437 
1 1 1 25 7  3  o 2  3.86049e+01 1.14769e+01 5.02176e+01 261.908 -5.24560e-01 -3.68925e+00 0.00000e+00 0.00000e+00 4.01680e+01 261.908 1.00496e+01 81.908  0.8521 
1 1 1 25 7  4  o 15 3.50361e+01 1.12929e+01 2.93707e+01 209.330 -1.74203e+00 -9.78796e-01 0.00000e+00 0.00000e+00 3.77528e+01 209.330 8.38213e+00 209.330 0.6975 
1 1 1 25 7  5  o 14 9.20316e+01 9.53680e+00 1.19214e+02 106.409 -6.65934e+00 2.26140e+01  0.00000e+00 0.00000e+00 1.28063e+02 106.409 8.84983e+00 106.409 0.9786 
1 1 1 25 7  6  o 12 3.89451e+01 1.17302e+01 5.06685e+01 164.309 -3.58303e+00 1.00650e+00  0.00000e+00 0.00000e+00 4.03851e+01 164.309 1.02834e+01 344.309 0.8519 
1 1 1 25 7  7  o 1  4.89221e+01 1.26005e+01 7.87502e+01 148.879 -5.88787e+00 3.55476e+00  0.00000e+00 0.00000e+00 4.52595e+01 148.879 3.34907e+01 328.879 0.9241 
1 1 1 25 7  8  f 0  4.44502e+01 1.13288e+01 5.18897e+01 312.955 3.02554e+00  -3.24961e+00 0.00000e+00 0.00000e+00 5.51556e+01 312.955 3.26589e+00 312.955 0.8785 
1 1 1 25 7  9  o 17 7.72267e+01 1.16606e+01 1.21463e+02 331.803 1.65347e+01  -8.86469e+00 0.00000e+00 0.00000e+00 8.43539e+01 331.803 3.71090e+01 151.803 0.9730 
1 1 1 25 7  10 o 5  5.62073e+01 1.33297e+01 8.06997e+01 304.222 4.56964e+00  -6.71834e+00 0.00000e+00 0.00000e+00 6.33299e+01 304.222 1.73698e+01 124.223 0.9363 
1 1 1 25 7  11 o 2  4.14819e+01 1.18948e+01 5.03350e+01 48.368  2.71965e+00  3.05973e+00  0.00000e+00 0.00000e+00 4.80109e+01 48.368  2.32409e+00 228.368 0.8670 
1 1 1 25 7  12 o 9  6.65860e+01 1.16839e+01 6.98669e+01 153.706 -8.28764e+00 4.09485e+00  0.00000e+00 0.00000e+00 1.01886e+02 153.706 3.20193e+01 153.706 0.9443 
1 1 1 25 7  13 f 0  1.27612e+02 7.87025e+00 1.56930e+02 138.943 -3.74627e+01 3.26318e+01  0.00000e+00 0.00000e+00 1.87770e+02 138.943 3.08397e+01 138.943 0.9899 
1 1 1 25 7  14 o 19 4.38222e+01 1.26612e+01 4.19553e+01 246.942 -1.33609e+00 -3.13876e+00 0.00000e+00 0.00000e+00 5.79369e+01 246.942 1.59816e+01 246.942 0.8363 
1 1 1 25 7  15 o 12 4.48206e+01 1.26578e+01 9.91413e+01 354.228 8.75134e+00  -8.84551e-01 0.00000e+00 0.00000e+00 1.57075e+01 354.228 8.34339e+01 174.228 0.9413 
1 1 1 25 7  16 o 19 5.92330e+01 1.34073e+01 5.95504e+01 335.805 6.03184e+00  -2.71014e+00 0.00000e+00 0.00000e+00 8.87450e+01 335.805 2.91946e+01 335.805 0.9209 
1 1 1 25 7  17 o 14 5.58344e+01 1.25600e+01 5.06393e+01 277.437 7.47293e-01  -5.72488e+00 0.00000e+00 0.00000e+00 8.70921e+01 277.437 3.64528e+01 277.437 0.9087 
1 1 1 25 7  18 o 6  4.02545e+01 1.23535e+01 1.51584e+01 65.539  5.21465e-01  1.14631e+00  0.00000e+00 0.00000e+00 4.27563e+01 65.539  2.75979e+01 65.539  0.5308 
1 1 1 25 7  19 f 0  5.92579e+01 1.30243e+01 6.65765e+01 175.118 -7.64469e+00 6.53027e-01  0.00000e+00 0.00000e+00 8.29412e+01 175.118 1.63647e+01 175.118 0.9324 
1 1 1 25 7  20 o 17 5.95887e+01 1.39019e+01 2.08641e+01 232.169 -1.39112e+00 -1.79144e+00 0.00000e+00 0.00000e+00 9.78252e+01 232.169 7.69611e+01 232.169 0.7372 
1 1 1 25 7  21 o 16 3.58772e+01 1.13739e+01 1.34566e+01 2.950   1.13744e+00  5.86064e-02  0.00000e+00 0.00000e+00 3.42897e+01 2.950   2.08332e+01 2.950   0.4935 
1 1 1 25 8  0  o 11 3.69078e+01 2.08737e+01 1.14889e+01 0.000   3.45824e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.23319e+01 0.000   1.08429e+01 0.000   0.3327 
1 1 1 25 8  1  o 6  4.08998e+01 1.22372e+01 7.56752e+01 325.677 4.92198e+00  -3.36048e+00 0.00000e+00 0.00000e+00 2.70376e+01 325.677 4.86375e+01 145.677 0.9117 
1 1 1 25 8  2  o 12 4.99400e+01 1.20814e+01 5.89286e+01 327.329 4.81682e+00  -3.08888e+00 0.00000e+00 0.00000e+00 6.59324e+01 327.329 7.00373e+00 327.329 0.9078 
1 1 1 25 8  3  o 18 4.06257e+01 1.20687e+01 6.34648e+01 281.222 9.75871e-01  -4.91845e+00 0.00000e+00 0.00000e+00 3.65093e+01 281.222 2.69555e+01 101.222 0.8937 
1 1 1 25 8  4  o 13 6.62315e+01 1.27526e+01 8.66593e+01 7.878   1.05680e+01  1.46225e+00  0.00000e+00 0.00000e+00 8.68884e+01 7.878   2.29059e-01 7.878   0.9519 
1 1 1 25 8  5  o 2  9.02620e+01 9.94417e+00 1.40213e+02 194.938 -2.71231e+01 -7.23611e+00 0.00000e+00 0.00000e+00 1.03689e+02 194.938 3.65245e+01 14.938  0.9820 
1 1 1 25 8  6  o 13 3.48688e+01 1.11526e+01 1.57752e+01 122.478 -6.08789e-01 9.56412e-01  0.00000e+00 0.00000e+00 3.13859e+01 122.478 1.56107e+01 122.478 0.4918 
1 1 1 25 8  7  o 19 3.54484e+01 1.12601e+01 2.27975e+01 64.464  7.11955e-01  1.49024e+00  0.00000e+00 0.00000e+00 3.87288e+01 64.464  1.59313e+01 64.464  0.6314 
1 1 1 25 8  8  o 18 3.80924e+01 1.15118e+01 1.81775e+01 286.827 4.02390e-01  -1.33053e+00 0.00000e+00 0.00000e+00 4.12321e+01 286.827 2.30546e+01 286.827 0.5678 
1 1 1 25 8  9  o 3  3.06630e+01 1.02406e+01 5.75186e+01 60.635  1.87507e+00  3.33242e+00  0.00000e+00 0.00000e+00 1.45627e+01 60.635  4.29560e+01 240.635 0.8564 
1 1 1 25 8  10 o 11 3.25459e+01 1.05715e+01 6.33878e+01 81.395  6.54044e-01  4.32229e+00  0.00000e+00 0.00000e+00 1.48463e+01 81.395  4.85415e+01 261.395 0.8764 
1 1 1 25 8  11 o 2  4.70860e+01 1.23111e+01 4.33917e+01 154.603 -3.74669e+00 1.77879e+00  0.00000e+00 0.00000e+00 6.87281e+01 154.603 2.53364e+01 154.603 0.8690 
1 1 1 25 8  12 o 15 3.23448e+01 1.05853e+01 2.34852e+01 123.131 -9.44058e-01 1.44648e+00  0.00000e+00 0.00000e+00 3.38485e+01 123.131 1.03633e+01 123.131 0.6475 
1 1 1 25 8  13 o 16 4.81716e+01 1.29921e+01 6.66197e+01 294.627 2.65667e+00  -5.79538e+00 0.00000e+00 0.00000e+00 5.42842e+01 294.627 1.23356e+01 114.627 0.9178 
1 1 1 25 8  14 o 14 4.57280e+01 1.23961e+01 6.09132e+01 225.904 -4.00430e+00 -4.13268e+00 0.00000e+00 0.00000e+00 5.25427e+01 225.904 8.37051e+00 45.904  0.9084 
1 1 1 25 8  15 o 11 3.19518e+01 1.06282e+01 5.46733e+01 324.966 3.32648e+00  -2.33218e+00 0.00000e+00 0.00000e+00 2.08006e+01 324.966 3.38727e+01 144.966 0.8659 
1 1 1 25 8  16 o 1  8.43690e+01 1.14862e+01 1.09884e+02 190.790 -1.97040e+01 -3.75526e+00 0.00000e+00 0.00000e+00 1.14160e+02 190.790 4.27566e+00 190.790 0.9747 
1 1 1 25 8  17 o 15 9.16131e+01 9.58114e+00 1.17591e+02 305.387 1.52395e+01  -2.14545e+01 0.00000e+00 0.00000e+00 1.26857e+02 305.387 9.26616e+00 305.387 0.9808 
1 1 1 25 8  18 o 9  3.41678e+01 1.10901e+01 5.75608e+01 214.228 -3.92848e+00 -2.67258e+00 0.00000e+00 0.00000e+00 2.47892e+01 214.228 3.27717e+01 34.228  0.8873 
1 1 1 25 8  19 o 9  5.17664e+01 1.79489e+01 4.20921e+01 172.869 -3.15309e+00 3.94473e-01  0.00000e+00 0.00000e+00 7.33530e+01 172.869 3.12609e+01 172.869 0.8223 
1 1 1 25 9  0  f 0  2.51671e+01 1.68579e+01 6.14417e+00 0.000   1.61572e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.98717e+00 0.000   1.15700e+00 180.000 0.1602 
1 1 1 25 9  1  o 16 3.83704e+01 1.13324e+01 4.39473e+01 161.991 -3.48849e+00 1.13409e+00  0.00000e+00 0.00000e+00 4.60462e+01 161.991 2.09887e+00 161.991 0.8494 
1 1 1 25 9  2  o 4  4.59710e+01 1.26570e+01 5.38079e+01 336.244 4.49450e+00  -1.97817e+00 0.00000e+00 0.00000e+00 5.93078e+01 336.244 5.49988e+00 336.244 0.8913 
1 1 1 25 9  3  o 11 3.30153e+01 1.06254e+01 1.45944e+01 87.209  5.34781e-02  1.09699e+00  0.00000e+00 0.00000e+00 2.91596e+01 87.209  1.45653e+01 87.209  0.4801 
1 1 1 25 9  4  f 0  5.98054e+01 1.23590e+01 9.82271e+01 157.128 -1.09550e+01 4.62121e+00  0.00000e+00 0.00000e+00 5.96969e+01 157.128 3.85302e+01 337.128 0.9570 
1 1 1 25 9  5  o 18 4.34881e+01 1.22943e+01 1.37358e+01 271.305 2.76201e-02  -1.21291e+00 0.00000e+00 0.00000e+00 4.82625e+01 271.305 3.45267e+01 271.305 0.5169 
1 1 1 25 9  6  o 7  8.09549e+01 1.14847e+01 9.88904e+01 78.793  3.33596e+00  1.68370e+01  0.00000e+00 0.00000e+00 1.17697e+02 78.793  1.88069e+01 78.793  0.9704 
1 1 1 25 9  7  o 16 4.92692e+01 1.31427e+01 5.11221e+01 353.170 4.77831e+00  -5.72284e-01 0.00000e+00 0.00000e+00 6.95452e+01 353.170 1.84231e+01 353.170 0.8888 
1 1 1 25 9  8  o 9  3.90981e+01 1.18334e+01 8.62643e+01 56.396  4.02444e+00  6.05637e+00  0.00000e+00 0.00000e+00 1.36940e+01 56.396  7.25703e+01 236.396 0.9284 
1 1 1 25 9  9  o 15 3.91950e+01 1.18970e+01 3.11261e+01 196.129 -2.51081e+00 -7.26076e-01 0.00000e+00 0.00000e+00 5.26535e+01 196.129 2.15275e+01 196.129 0.7768 
1 1 1 25 9  10 o 13 4.75850e+01 1.29083e+01 5.74954e+01 225.268 -3.83400e+00 -3.87007e+00 0.00000e+00 0.00000e+00 6.06198e+01 225.268 3.12443e+00 225.268 0.9028 
1 1 1 25 9  11 o 3  9.02556e+01 1.06050e+01 1.15125e+02 163.816 -2.32678e+01 6.75274e+00  0.00000e+00 0.00000e+00 1.27624e+02 163.816 1.24986e+01 163.816 0.9791 
1 1 1 25 9  12 o 19 4.47037e+01 1.22031e+01 2.09314e+01 17.122  1.84471e+00  5.68284e-01  0.00000e+00 0.00000e+00 6.32207e+01 17.122  4.22893e+01 17.122  0.6860 
1 1 1 25 9  13 o 15 3.81196e+01 1.17295e+01 1.87122e+01 320.442 1.16878e+00  -9.65458e-01 0.00000e+00 0.00000e+00 4.39896e+01 320.442 2.52774e+01 320.442 0.6001 
1 1 1 25 9  14 o 4  3.27252e+01 1.07102e+01 5.59399e+01 0.844   4.56132e+00  6.71850e-02  0.00000e+00 0.00000e+00 2.30995e+01 0.844   3.28404e+01 180.844 0.8821 
1 1 1 25 9  15 o 5  4.01136e+01 1.21204e+01 7.64797e+01 350.399 6.77244e+00  -1.14562e+00 0.00000e+00 0.00000e+00 2.48814e+01 350.399 5.15983e+01 170.399 0.9240 
1 1 1 25 9  16 o 13 5.23230e+01 2.58614e+01 7.36795e+01 2.822   3.31744e+00  1.63533e-01  0.00000e+00 0.00000e+00 4.50916e+01 2.822   2.85879e+01 182.822 0.8312 
1 1 1 25 10 0  o 7  1.16554e+02 1.13183e+01 1.87192e+02 180.000 -2.98296e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.35512e+02 180.000 5.16798e+01 0.000   1.0000 
1 1 1 25 10 1  f 0  4.91676e+01 1.31187e+01 9.50866e+01 341.491 8.60280e+00  -2.87993e+00 0.00000e+00 0.00000e+00 3.33015e+01 341.491 6.17851e+01 161.491 0.9432 
1 1 1 25 10 2  o 3  5.44206e+01 1.30348e+01 9.07950e+01 221.627 -7.20732e+00 -6.40513e+00 0.00000e+00 0.00000e+00 5.18145e+01 221.627 3.89804e+01 41.627  0.9466 
1 1 1 25 10 3  o 10 6.03385e+01 1.29946e+01 8.97968e+01 83.945  1.11789e+00  1.05388e+01  0.00000e+00 0.00000e+00 6.91133e+01 83.945  2.06835e+01 263.945 0.9516 
1 1 1 25 10 4  o 2  4.05296e+01 1.17189e+01 6.36067e+01 342.057 5.24066e+00  -1.69701e+00 0.00000e+00 0.00000e+00 3.77633e+01 342.057 2.58434e+01 162.057 0.9040 
1 1 1 25 10 5  o 15 3.68337e+01 1.16956e+01 4.97333e+01 74.852  1.02350e+00  3.78063e+00  0.00000e+00 0.00000e+00 3.79016e+01 74.852  1.18317e+01 254.852 0.8602 
1 1 1 25 10 6  o 4  7.32581e+01 1.21860e+01 9.79829e+01 356.582 1.47900e+01  -8.83244e-01 0.00000e+00 0.00000e+00 9.75754e+01 356.582 4.07478e-01 176.582 0.9656 
1 1 1 25 10 7  o 2  4.84880e+01 1.28383e+01 7.64892e+01 276.663 8.47682e-01  -7.25595e+00 0.00000e+00 0.00000e+00 4.79376e+01 276.663 2.85515e+01 96.663  0.9288 
1 1 1 25 10 8  o 3  3.53304e+01 1.12945e+01 5.05090e+01 148.004 -3.31149e+00 2.06894e+00  0.00000e+00 0.00000e+00 3.33602e+01 148.004 1.71488e+01 328.004 0.8598 
1 1 1 25 10 9  o 2  3.58600e+01 1.14148e+01 2.70007e+01 169.061 -2.24966e+00 4.34814e-01  0.00000e+00 0.00000e+00 4.62402e+01 169.061 1.92395e+01 169.061 0.7403 
1 1 1 25 10 10 o 11 3.61589e+01 1.13103e+01 4.58924e+01 80.927  6.22855e-01  3.90017e+00  0.00000e+00 0.00000e+00 3.99901e+01 80.927  5.90223e+00 260.926 0.8616 
1 1 1 25 10 11 o 1  4.54388e+01 1.60932e+01 3.54906e+01 26.044  2.40844e+00  1.17695e+00  0.00000e+00 0.00000e+00 6.25408e+01 26.044  2.70502e+01 26.044  0.7833 
1 1 1 26 0  0  o 7  5.17847e+01 2.87075e+01 1.09744e+02 180.000 -2.28210e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.97023e+01 180.000 8.00414e+01 0.000   0.9794 
1 1 1 26 0  1  o 15 2.64365e+01 1.81232e+01 3.36352e+01 45.000  5.56257e-01  5.56257e-01  0.00000e+00 0.00000e+00 1.40831e+01 45.000  1.95521e+01 225.000 0.6565 
1 1 1 26 0  2  o 14 5.81909e+01 2.42882e+01 1.07439e+02 90.000  2.56906e-16  4.19560e+00  0.00000e+00 0.00000e+00 5.24571e+01 90.000  5.49817e+01 270.000 0.9995 
1 1 1 26 0  3  o 2  2.46358e+01 1.71053e+01 7.40692e+01 135.000 -1.19235e+00 1.19235e+00  0.00000e+00 0.00000e+00 1.08509e+01 315.000 8.49201e+01 315.000 0.9337 
1 1 1 26 0  4  o 1  2.75628e+01 1.81870e+01 3.83210e+01 0.000   9.30153e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.70135e+01 0.000   2.13075e+01 180.000 0.7307 
1 1 1 26 0  5  o 16 9.36191e+01 1.51560e+01 1.03986e+02 225.000 -6.89763e+00 -6.89763e+00 0.00000e+00 0.00000e+00 1.53142e+02 225.000 4.91557e+01 225.000 1.0000 
1 1 1 26 0  6  o 1  1.55522e+02 1.05353e+01 1.97515e+02 270.000 -2.24828e-15 -3.67172e+01 0.00000e+00 0.00000e+00 2.29430e+02 270.000 3.19144e+01 270.000 1.0000 
1 1 1 26 0  7  o 10 3.65298e+01 2.11430e+01 2.36288e+01 135.000 -4.69661e-01 4.69661e-01  0.00000e+00 0.00000e+00 3.46181e+01 135.000 1.09892e+01 135.000 0.5812 
1 1 1 26 0  8  o 9  2.52987e+01 1.71723e+01 8.80985e+01 0.000   2.16235e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.05439e+01 180.000 1.08642e+02 180.000 0.9739 
1 1 1 26 0  9  o 4  2.54661e+01 1.71602e+01 1.49814e+01 225.000 -2.61340e-01 -2.61340e-01 0.00000e+00 0.00000e+00 9.69337e+00 225.000 5.28802e+00 45.000  0.3536 
1 1 1 26 0  10 f 0  5.29933e+01 2.31840e+01 8.55169e+01 90.000  2.02950e-16  3.31442e+00  0.00000e+00 0.00000e+00 5.91779e+01 90.000  2.63390e+01 270.000 0.9974 
1 1 1 26 0  11 o 9  2.16426e+01 1.52886e+01 3.48870e+01 315.000 5.61212e-01  -5.61212e-01 0.00000e+00 0.00000e+00 4.21140e+00 315.000 3.06756e+01 135.000 0.6605 
1 1 1 26 0  12 o 5  5.89482e+01 2.47874e+01 1.46218e+02 180.000 -5.84607e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.48538e+01 180.000 1.31364e+02 0.000   1.0000 
1 1 1 26 0  13 o 19 2.31776e+01 1.62732e+01 8.27580e+01 45.000  1.35645e+00  1.35645e+00  0.00000e+00 0.00000e+00 2.21653e+01 225.000 1.04923e+02 225.000 0.9578 
1 1 1 26 0  14 o 15 3.71154e+01 2.24277e+01 2.47493e+00 90.000  4.47323e-18  7.30534e-02  0.00000e+00 0.00000e+00 4.90418e+00 90.000  2.42925e+00 90.000  0.0729 
1 1 1 26 0  15 o 5  2.71485e+01 1.83862e+01 3.06718e+01 135.000 -5.68533e-01 5.68533e-01  0.00000e+00 0.00000e+00 1.85824e+01 135.000 1.20895e+01 315.000 0.6663 
1 1 1 26 0  16 o 15 5.73181e+01 2.34231e+01 6.95407e+01 0.000   3.07956e+00  0.00000e+00  0.00000e+00 0.00000e+00 8.56671e+01 0.000   1.61264e+01 0.000   0.9958 
1 1 1 26 0  17 o 16 2.34950e+01 1.63104e+01 4.54104e+01 45.000  8.25855e-01  8.25855e-01  0.00000e+00 0.00000e+00 7.13514e+00 45.000  3.82753e+01 225.000 0.8236 
1 1 1 26 0  18 o 10 3.51877e+01 2.10386e+01 8.87887e+01 270.000 -1.64077e-16 -2.67958e+00 0.00000e+00 0.00000e+00 5.72360e+00 270.000 8.30651e+01 90.000  0.9906 
1 1 1 26 0  19 o 5  3.92528e+01 2.20459e+01 1.77658e+01 315.000 4.01454e-01  -4.01454e-01 0.00000e+00 0.00000e+00 3.68189e+01 315.000 1.90531e+01 315.000 0.5137 
1 1 1 26 0  20 o 19 3.52589e+01 2.11604e+01 4.35375e+01 180.000 -1.39488e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.07181e+01 180.000 2.81941e+00 0.000   0.8842 
1 1 1 26 0  21 o 15 5.14042e+01 2.61215e+01 5.85354e+01 45.000  1.49811e+00  1.49811e+00  0.00000e+00 0.00000e+00 7.61875e+01 45.000  1.76521e+01 45.000  0.9715 
1 1 1 26 1  0  o 7  2.21045e+01 1.58299e+01 5.94925e+01 180.000 -1.28431e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.36149e+00 0.000   6.68540e+01 0.000   0.8576 
1 1 1 26 1  1  o 13 4.61222e+01 1.25020e+01 1.56061e+01 247.177 -5.03358e-01 -1.19609e+00 0.00000e+00 0.00000e+00 5.31336e+01 247.177 3.75275e+01 247.177 0.5420 
1 1 1 26 1  2  o 14 4.53305e+01 1.28737e+01 7.70646e+01 74.461  1.64810e+00  5.92718e+00  0.00000e+00 0.00000e+00 3.69316e+01 74.461  4.01331e+01 254.461 0.9147 
1 1 1 26 1  3  o 3  5.46401e+01 1.39003e+01 3.61551e+01 189.757 -3.21301e+00 -5.52492e-01 0.00000e+00 0.00000e+00 8.81350e+01 189.757 5.19799e+01 189.757 0.8275 
1 1 1 26 1  4  o 11 3.95130e+01 1.20936e+01 4.12229e+01 24.016  2.74562e+00  1.22336e+00  0.00000e+00 0.00000e+00 4.67732e+01 24.016  5.55033e+00 24.016  0.8104 
1 1 1 26 1  5  o 4  9.40981e+01 1.04418e+01 1.21815e+02 80.065  4.02464e+00  2.29769e+01  0.00000e+00 0.00000e+00 1.31063e+02 80.065  9.24885e+00 80.065  0.9783 
1 1 1 26 1  6  o 7  4.26857e+01 1.22825e+01 3.82073e+01 5.160   2.95542e+00  2.66884e-01  0.00000e+00 0.00000e+00 5.64366e+01 5.160   1.82293e+01 5.160   0.8075 
1 1 1 26 1  7  o 1  6.84761e+01 1.24396e+01 1.24497e+02 199.475 -1.53148e+01 -5.41581e+00 0.00000e+00 0.00000e+00 5.75283e+01 199.475 6.69687e+01 19.475  0.9687 
1 1 1 26 1  8  o 6  2.98848e+01 1.01243e+01 3.31279e+01 230.423 -1.38903e+00 -1.68042e+00 0.00000e+00 0.00000e+00 2.63090e+01 230.423 6.81892e+00 50.423  0.7253 
1 1 1 26 1  9  o 12 4.26486e+01 1.26007e+01 4.92588e+01 283.087 8.93624e-01  -3.84409e+00 0.00000e+00 0.00000e+00 5.14174e+01 283.087 2.15863e+00 283.087 0.8614 
1 1 1 26 1  10 o 14 3.70429e+01 1.15921e+01 2.56592e+01 318.451 1.42245e+00  -1.26063e+00 0.00000e+00 0.00000e+00 4.33880e+01 318.451 1.77289e+01 318.451 0.6808 
1 1 1 26 1  11 o 6  5.52604e+01 1.34636e+01 6.86242e+01 30.794  5.77476e+00  3.44164e+00  0.00000e+00 0.00000e+00 7.07985e+01 30.794  2.17425e+00 30.794  0.9223 
1 1 1 26 1  12 o 6  4.40259e+01 1.29476e+01 4.22144e+01 26.391  3.04430e+00  1.51063e+00  0.00000e+00 0.00000e+00 5.83247e+01 26.391  1.61103e+01 26.391  0.8356 
1 1 1 26 1  13 o 19 5.76895e+01 1.34515e+01 6.38718e+01 154.708 -5.88029e+00 2.77856e+00  0.00000e+00 0.00000e+00 8.09437e+01 154.708 1.70719e+01 154.708 0.9195 
1 1 1 26 1  14 o 16 4.38958e+01 1.28377e+01 4.32822e+01 130.423 -2.41154e+00 2.83126e+00  0.00000e+00 0.00000e+00 5.86693e+01 130.423 1.53872e+01 130.423 0.8518 
1 1 1 26 1  15 o 3  5.79719e+01 1.39685e+01 8.75478e+01 7.616   9.08558e+00  1.21479e+00  0.00000e+00 0.00000e+00 6.14507e+01 7.616   2.60971e+01 187.616 0.9438 
1 1 1 26 1  16 o 15 4.63601e+01 1.32689e+01 8.04847e+01 188.800 -7.17555e+00 -1.11078e+00 0.00000e+00 0.00000e+00 3.65647e+01 188.800 4.39200e+01 8.800   0.9283 
1 1 1 26 1  17 o 19 3.72603e+01 1.17241e+01 4.92776e+01 78.426  7.95464e-01  3.88431e+00  0.00000e+00 0.00000e+00 3.79665e+01 78.426  1.13111e+01 258.426 0.8622 
1 1 1 26 1  18 o 16 7.47899e+01 1.25507e+01 1.20288e+02 295.188 7.70664e+00  -1.63864e+01 0.00000e+00 0.00000e+00 7.68391e+01 295.188 4.34493e+01 115.188 0.9720 
1 1 1 26 1  19 o 19 3.16950e+01 1.05885e+01 7.54363e+01 327.543 4.61358e+00  -2.93435e+00 0.00000e+00 0.00000e+00 2.06876e+00 327.543 7.33675e+01 147.543 0.9032 
1 1 1 26 1  20 o 8  5.87056e+01 1.34014e+01 4.40013e+01 339.036 4.91571e+00  -1.88338e+00 0.00000e+00 0.00000e+00 9.86718e+01 339.036 5.46705e+01 339.036 0.8992 
1 1 1 26 1  21 o 1  5.34267e+01 1.75293e+01 4.23615e+01 100.133 -5.99047e-01 3.35175e+00  0.00000e+00 0.00000e+00 7.81438e+01 100.133 3.57823e+01 100.133 0.8360 
1 1 1 26 2  0  o 18 2.92019e+01 1.92070e+01 5.61516e+00 0.000   1.37904e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.39384e+00 0.000   2.21324e-01 180.000 0.1370 
1 1 1 26 2  1  o 11 6.94987e+01 1.16554e+01 6.77216e+01 150.573 -7.76787e+00 4.38170e+00  0.00000e+00 0.00000e+00 1.12405e+02 150.573 4.46833e+01 150.573 0.9421 
1 1 1 26 2  2  o 19 8.98633e+01 1.18671e+01 9.79930e+01 113.339 -6.52334e+00 1.51190e+01  0.00000e+00 0.00000e+00 1.41557e+02 113.339 4.35641e+01 113.339 0.9691 
1 1 1 26 2  3  o 3  5.90483e+01 1.35888e+01 1.08760e+02 202.786 -9.94442e+00 -4.17734e+00 0.00000e+00 0.00000e+00 4.59018e+01 202.786 6.28583e+01 22.786  0.9525 
1 1 1 26 2  4  o 8  6.17845e+01 1.35510e+01 8.54684e+01 40.109  6.79400e+00  5.72288e+00  0.00000e+00 0.00000e+00 7.45203e+01 40.109  1.09481e+01 220.109 0.9419 
1 1 1 26 2  5  o 6  4.28421e+01 1.20672e+01 5.62614e+01 273.506 2.71536e-01  -4.43203e+00 0.00000e+00 0.00000e+00 4.71741e+01 273.506 9.08732e+00 93.506  0.8786 
1 1 1 26 2  6  o 17 4.07690e+01 1.23794e+01 3.96167e+01 8.811   3.05151e+00  4.72991e-01  0.00000e+00 0.00000e+00 5.17940e+01 8.811   1.21774e+01 8.811   0.8163 
1 1 1 26 2  7  o 13 1.35463e+02 8.00074e+00 1.64771e+02 21.262  5.18269e+01  2.01666e+01  0.00000e+00 0.00000e+00 2.03750e+02 21.262  3.89783e+01 21.262  0.9910 
1 1 1 26 2  8  o 10 5.79270e+01 1.25189e+01 1.01274e+02 232.358 -6.76588e+00 -8.77245e+00 0.00000e+00 0.00000e+00 5.02958e+01 232.358 5.09784e+01 52.358  0.9537 
1 1 1 26 2  9  o 9  3.71335e+01 1.14970e+01 3.00558e+01 324.101 1.81925e+00  -1.31686e+00 0.00000e+00 0.00000e+00 4.46947e+01 324.101 1.46388e+01 324.101 0.7343 
1 1 1 26 2  10 o 7  7.92632e+01 1.24508e+01 6.86327e+01 101.017 -1.96890e+00 1.01133e+01  0.00000e+00 0.00000e+00 1.37665e+02 101.017 6.90323e+01 101.017 0.9502 
1 1 1 26 2  11 o 17 7.22012e+01 1.30228e+01 8.73826e+01 286.878 3.33513e+00  -1.09924e+01 0.00000e+00 0.00000e+00 1.01406e+02 286.878 1.40238e+01 286.878 0.9554 
1 1 1 26 2  12 o 17 3.26204e+01 1.06921e+01 3.94306e+01 94.468  -2.10917e-01 2.69921e+00  0.00000e+00 0.00000e+00 3.06506e+01 94.468  8.78000e+00 274.468 0.7858 
1 1 1 26 2  13 o 11 4.74806e+01 1.35983e+01 2.91482e+01 0.905   2.57286e+00  4.06440e-02  0.00000e+00 0.00000e+00 7.10540e+01 0.905   4.19058e+01 0.905   0.7727 
1 1 1 26 2  14 o 12 5.26617e+01 1.36088e+01 6.49708e+01 10.893  6.22596e+00  1.19812e+00  0.00000e+00 0.00000e+00 6.68108e+01 10.893  1.83997e+00 10.893  0.9173 
1 1 1 26 2  15 o 10 4.19340e+01 1.27489e+01 1.40419e+01 187.540 -1.14392e+00 -1.51422e-01 0.00000e+00 0.00000e+00 4.28847e+01 187.540 2.88428e+01 187.540 0.4983 
1 1 1 26 2  16 o 10 4.09831e+01 1.26101e+01 3.23610e+01 327.107 2.26526e+00  -1.46507e+00 0.00000e+00 0.00000e+00 5.51621e+01 327.107 2.28011e+01 327.107 0.7849 
1 1 1 26 2  17 o 18 3.49199e+01 1.14127e+01 2.56736e+01 20.326  1.85089e+00  6.85605e-01  0.00000e+00 0.00000e+00 4.01161e+01 20.326  1.44426e+01 20.326  0.6934 
1 1 1 26 2  18 o 5  3.30884e+01 1.09357e+01 2.28676e+01 349.104 1.66480e+00  -3.20459e-01 0.00000e+00 0.00000e+00 3.46584e+01 349.104 1.17908e+01 349.104 0.6409 
1 1 1 26 2  19 o 13 3.32960e+01 1.08313e+01 3.44214e+01 64.856  1.09369e+00  2.33012e+00  0.00000e+00 0.00000e+00 3.52743e+01 64.856  8.52867e-01 64.856  0.7728 
1 1 1 26 2  20 o 4  4.49358e+01 1.29425e+01 6.21721e+01 238.601 -3.06304e+00 -5.01820e+00 0.00000e+00 0.00000e+00 4.84521e+01 238.601 1.37200e+01 58.601  0.9104 
1 1 1 26 3  0  o 8  3.21204e+01 2.01787e+01 2.24345e+01 0.000   6.08686e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.55997e+01 0.000   3.16516e+00 0.000   0.5432 
1 1 1 26 3  1  o 17 4.99720e+01 1.34075e+01 5.85827e+01 141.979 -4.12422e+00 3.22462e+00  0.00000e+00 0.00000e+00 6.50313e+01 141.979 6.44862e+00 141.979 0.8986 
1 1 1 26 3  2  o 5  4.46006e+01 1.26596e+01 6.10241e+01 31.557  4.35497e+00  2.67473e+00  0.00000e+00 0.00000e+00 4.89599e+01 31.557  1.20642e+01 211.557 0.8959 
1 1 1 26 3  3  o 2  4.97469e+01 1.38682e+01 3.41214e+01 284.433 7.33291e-01  -2.84916e+00 0.00000e+00 0.00000e+00 7.61667e+01 284.433 4.20453e+01 284.433 0.8056 
1 1 1 26 3  4  o 17 5.04182e+01 1.40624e+01 4.85619e+01 71.288  1.34308e+00  3.96515e+00  0.00000e+00 0.00000e+00 7.21582e+01 71.288  2.35964e+01 71.288  0.8703 
1 1 1 26 3  5  o 8  3.83927e+01 1.21033e+01 3.68753e+01 101.969 -5.70210e-01 2.68984e+00  0.00000e+00 0.00000e+00 4.64948e+01 101.969 9.61957e+00 101.969 0.7896 
1 1 1 26 3  6  o 6  3.65527e+01 1.15929e+01 4.37750e+01 194.151 -3.10963e+00 -7.84031e-01 0.00000e+00 0.00000e+00 3.90350e+01 194.151 4.74002e+00 14.151  0.8242 
1 1 1 26 3  7  o 6  5.78750e+01 1.36100e+01 5.81455e+01 306.428 3.50821e+00  -4.75361e+00 0.00000e+00 0.00000e+00 8.66837e+01 306.428 2.85382e+01 306.428 0.9109 
1 1 1 26 3  8  o 16 5.40159e+01 1.34209e+01 4.91392e+01 270.132 1.08694e-02  -4.72258e+00 0.00000e+00 0.00000e+00 8.23298e+01 270.132 3.31906e+01 270.132 0.8865 
1 1 1 26 3  9  o 13 3.38837e+01 1.11363e+01 2.61358e+01 18.354  1.72910e+00  5.73659e-01  0.00000e+00 0.00000e+00 3.57945e+01 18.354  9.65865e+00 18.354  0.6662 
1 1 1 26 3  10 o 17 9.32651e+01 1.07960e+01 1.51330e+02 233.663 -1.75293e+01 -2.38309e+01 0.00000e+00 0.00000e+00 9.99669e+01 233.663 5.13630e+01 53.663  0.9830 
1 1 1 26 3  11 o 3  5.65046e+01 1.35178e+01 7.84713e+01 106.829 -2.25594e+00 7.45821e+00  0.00000e+00 0.00000e+00 6.59758e+01 106.829 1.24956e+01 286.829 0.9334 
1 1 1 26 3  12 o 16 4.12368e+01 1.24795e+01 2.32877e+01 153.409 -1.72340e+00 8.62678e-01  0.00000e+00 0.00000e+00 5.40475e+01 153.409 3.07598e+01 153.409 0.6855 
1 1 1 26 3  13 o 16 4.90723e+01 1.32592e+01 6.51468e+01 252.156 -1.85869e+00 -5.77382e+00 0.00000e+00 0.00000e+00 5.73500e+01 252.156 7.79687e+00 72.156  0.9134 
1 1 1 26 3  14 o 2  3.88422e+01 1.23110e+01 5.23208e+01 6.535   4.20672e+00  4.81871e-01  0.00000e+00 0.00000e+00 4.01359e+01 6.535   1.21850e+01 186.535 0.8720 
1 1 1 26 3  15 o 6  4.62935e+01 1.29965e+01 9.10860e+01 208.621 -7.32844e+00 -3.99902e+00 0.00000e+00 0.00000e+00 2.73102e+01 208.621 6.37758e+01 28.621  0.9380 
1 1 1 26 3  16 o 12 3.64065e+01 1.18264e+01 4.99298e+01 271.699 1.15423e-01  -3.89004e+00 0.00000e+00 0.00000e+00 3.52430e+01 271.699 1.46867e+01 91.700  0.8592 
1 1 1 26 3  17 o 11 4.15150e+01 1.21725e+01 4.24014e+01 340.417 3.42104e+00  -1.21700e+00 0.00000e+00 0.00000e+00 5.32796e+01 340.417 1.08782e+01 340.417 0.8477 
1 1 1 26 3  18 o 12 3.84700e+01 1.18659e+01 2.66886e+01 29.595  1.87304e+00  1.06382e+00  0.00000e+00 0.00000e+00 4.86660e+01 29.595  2.19774e+01 29.595  0.7215 
1 1 1 26 3  19 o 10 3.78775e+01 1.18277e+01 5.98046e+01 36.809  4.14580e+00  3.10249e+00  0.00000e+00 0.00000e+00 3.23237e+01 36.809  2.74809e+01 216.809 0.8974 
1 1 1 26 4  0  o 5  3.49898e+01 2.13212e+01 3.46609e+01 180.000 -9.66807e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.73963e+01 180.000 2.73543e+00 180.000 0.7473 
1 1 1 26 4  1  o 5  3.18619e+01 1.06642e+01 3.36998e+01 164.363 -2.19635e+00 6.14744e-01  0.00000e+00 0.00000e+00 3.11750e+01 164.363 2.52489e+00 344.363 0.7389 
1 1 1 26 4  2  o 18 8.41296e+01 1.20493e+01 1.31213e+02 97.201  -2.69041e+00 2.12940e+01  0.00000e+00 0.00000e+00 9.51217e+01 97.201  3.60917e+01 277.201 0.9764 
1 1 1 26 4  3  o 13 3.44988e+01 1.13720e+01 3.09083e+01 149.678 -1.86784e+00 1.09244e+00  0.00000e+00 0.00000e+00 3.77940e+01 149.678 6.88568e+00 149.678 0.7229 
1 1 1 26 4  4  o 5  3.63971e+01 1.17115e+01 4.11842e+01 31.890  2.53242e+00  1.57568e+00  0.00000e+00 0.00000e+00 3.98730e+01 31.890  1.31114e+00 211.890 0.8087 
1 1 1 26 4  5  o 17 4.39504e+01 1.30523e+01 3.06762e+01 353.713 2.44174e+00  -2.68994e-01 0.00000e+00 0.00000e+00 6.12956e+01 353.713 3.06194e+01 353.713 0.7602 
1 1 1 26 4  6  o 17 3.43915e+01 1.12187e+01 2.89859e+01 294.483 8.46089e-01  -1.85802e+00 0.00000e+00 0.00000e+00 3.76782e+01 294.483 8.69231e+00 294.483 0.7045 
1 1 1 26 4  7  o 5  3.47775e+01 1.12800e+01 6.52084e+01 227.505 -3.12009e+00 -3.40555e+00 0.00000e+00 0.00000e+00 1.93071e+01 227.505 4.59013e+01 47.505  0.8837 
1 1 1 26 4  8  o 2  5.48956e+01 1.27423e+01 7.40589e+01 238.639 -3.91668e+00 -6.42627e+00 0.00000e+00 0.00000e+00 6.63895e+01 238.639 7.66940e+00 58.639  0.9310 
1 1 1 26 4  9  o 15 3.78524e+01 1.18091e+01 5.68195e+01 120.479 -2.29757e+00 3.90383e+00  0.00000e+00 0.00000e+00 3.47798e+01 120.479 2.20397e+01 300.479 0.8812 
1 1 1 26 4  10 o 5  3.22970e+01 1.06218e+01 4.86756e+01 316.036 2.57576e+00  -2.48426e+00 0.00000e+00 0.00000e+00 2.62174e+01 316.036 2.24582e+01 136.036 0.8451 
1 1 1 26 4  11 o 16 7.71698e+01 1.21107e+01 6.03001e+01 162.458 -9.11302e+00 2.88064e+00  0.00000e+00 0.00000e+00 1.39861e+02 162.458 7.95604e+01 162.458 0.9461 
1 1 1 26 4  12 o 18 3.45612e+01 1.12058e+01 4.81660e+01 70.427  1.21435e+00  3.41539e+00  0.00000e+00 0.00000e+00 3.20396e+01 70.427  1.61264e+01 250.427 0.8474 
1 1 1 26 4  13 o 2  5.05700e+01 1.28184e+01 4.41508e+01 69.513  1.56864e+00  4.19832e+00  0.00000e+00 0.00000e+00 7.75656e+01 69.513  3.34149e+01 69.513  0.8798 
1 1 1 26 4  14 o 18 3.07182e+01 1.03896e+01 4.35576e+01 188.797 -3.12961e+00 -4.84313e-01 0.00000e+00 0.00000e+00 2.54071e+01 188.797 1.81504e+01 8.797   0.8216 
1 1 1 26 4  15 f 0  4.81981e+01 1.35508e+01 6.79271e+01 148.837 -5.26611e+00 3.18460e+00  0.00000e+00 0.00000e+00 5.23908e+01 148.837 1.55363e+01 328.837 0.9147 
1 1 1 26 4  16 o 5  5.40709e+01 1.34808e+01 7.20374e+01 53.428  4.37086e+00  5.89147e+00  0.00000e+00 0.00000e+00 6.48844e+01 53.428  7.15302e+00 233.428 0.9291 
1 1 1 26 4  17 o 6  4.04092e+01 1.17023e+01 4.91424e+01 243.119 -2.07780e+00 -4.09897e+00 0.00000e+00 0.00000e+00 4.79766e+01 243.119 1.16573e+00 63.119  0.8831 
1 1 1 26 4  18 o 4  4.52058e+01 1.33065e+01 7.85478e+01 258.186 -1.48909e+00 -7.11912e+00 0.00000e+00 0.00000e+00 3.55114e+01 258.186 4.30365e+01 78.186  0.9285 
1 1 1 26 5  0  o 11 4.50594e+01 2.31728e+01 1.27426e+01 180.000 -4.18503e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.64516e+01 180.000 2.37091e+01 180.000 0.3957 
1 1 1 26 5  1  o 11 7.15557e+01 1.24761e+01 7.84986e+01 206.371 -9.48866e+00 -4.70413e+00 0.00000e+00 0.00000e+00 1.09370e+02 206.371 3.08716e+01 206.371 0.9515 
1 1 1 26 5  2  o 8  7.89649e+01 1.26087e+01 1.16218e+02 0.619   1.71480e+01  1.85382e-01  0.00000e+00 0.00000e+00 9.51814e+01 0.619   2.10364e+01 180.619 0.9704 
1 1 1 26 5  3  o 12 3.31997e+01 1.09696e+01 4.79309e+01 307.375 2.00343e+00  -2.62279e+00 0.00000e+00 0.00000e+00 2.80699e+01 307.375 1.98610e+01 127.375 0.8300 
1 1 1 26 5  4  o 13 6.94808e+01 1.32257e+01 1.03203e+02 201.351 -1.19718e+01 -4.68001e+00 0.00000e+00 0.00000e+00 8.07720e+01 201.351 2.24313e+01 21.352  0.9603 
1 1 1 26 5  5  o 4  5.38386e+01 1.34736e+01 4.86079e+01 339.963 4.61588e+00  -1.68346e+00 0.00000e+00 0.00000e+00 8.36626e+01 339.963 3.50547e+01 339.963 0.8913 
1 1 1 26 5  6  o 13 7.95487e+01 1.29474e+01 8.86598e+01 209.393 -1.19539e+01 -6.73360e+00 0.00000e+00 0.00000e+00 1.22353e+02 209.393 3.36933e+01 209.393 0.9628 
1 1 1 26 5  7  o 16 4.86775e+01 1.20961e+01 7.46905e+01 189.429 -7.38922e+00 -1.22709e+00 0.00000e+00 0.00000e+00 5.00437e+01 189.429 2.46468e+01 9.429   0.9306 
1 1 1 26 5  8  o 13 5.77550e+01 1.36530e+01 5.33124e+01 64.760  2.42529e+00  5.14469e+00  0.00000e+00 0.00000e+00 9.08654e+01 64.760  3.75530e+01 64.760  0.9072 
1 1 1 26 5  9  o 6  3.33075e+01 1.10732e+01 4.04416e+01 108.490 -9.39841e-01 2.81050e+00  0.00000e+00 0.00000e+00 3.34899e+01 108.490 6.95173e+00 288.490 0.8072 
1 1 1 26 5  10 o 10 4.07660e+01 1.20856e+01 5.25394e+01 30.429  3.90907e+00  2.29615e+00  0.00000e+00 0.00000e+00 4.61681e+01 30.429  6.37135e+00 210.430 0.8813 
1 1 1 26 5  11 o 19 4.24205e+01 1.24822e+01 3.62901e+01 322.955 2.52371e+00  -1.90487e+00 0.00000e+00 0.00000e+00 5.93404e+01 322.955 2.30503e+01 322.955 0.8213 
1 1 1 26 5  12 o 7  4.53447e+01 1.28375e+01 5.52022e+01 45.310  3.51823e+00  3.55647e+00  0.00000e+00 0.00000e+00 5.58927e+01 45.310  6.90469e-01 45.310  0.8934 
1 1 1 26 5  13 o 7  4.17119e+01 1.24164e+01 5.25071e+01 24.904  4.04013e+00  1.87569e+00  0.00000e+00 0.00000e+00 4.79235e+01 24.904  4.58363e+00 204.904 0.8790 
1 1 1 26 5  14 o 13 5.42644e+01 1.30139e+01 7.98493e+01 72.653  2.51396e+00  8.04829e+00  0.00000e+00 0.00000e+00 5.95171e+01 72.653  2.03322e+01 252.653 0.9387 
1 1 1 26 5  15 o 12 4.05418e+01 1.24951e+01 5.38433e+01 77.880  1.00094e+00  4.66101e+00  0.00000e+00 0.00000e+00 4.45005e+01 77.880  9.34271e+00 257.880 0.8877 
1 1 1 26 5  16 o 3  9.58637e+01 1.18635e+01 9.93088e+01 246.515 -8.65659e+00 -1.99235e+01 0.00000e+00 0.00000e+00 1.56208e+02 246.515 5.68988e+01 246.515 0.9767 
1 1 1 26 5  17 o 2  5.37975e+01 2.61967e+01 4.29831e+01 94.738  -1.61465e-01 1.94794e+00  0.00000e+00 0.00000e+00 5.82000e+01 94.738  1.52169e+01 94.738  0.6902 
1 1 1 26 6  0  o 4  2.71195e+01 1.82384e+01 3.90047e+01 180.000 -1.02916e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.89725e+01 180.000 2.00322e+01 0.000   0.7736 
1 1 1 26 6  1  o 3  5.08797e+01 1.31065e+01 8.76684e+01 302.583 4.60602e+00  -7.20698e+00 0.00000e+00 0.00000e+00 4.44421e+01 302.583 4.32263e+01 122.583 0.9396 
1 1 1 26 6  2  o 17 2.90392e+01 9.89295e+00 4.44000e+01 241.148 -1.48293e+00 -2.69165e+00 0.00000e+00 0.00000e+00 2.10149e+01 241.148 2.33851e+01 61.148  0.8152 
1 1 1 26 6  3  o 4  4.64278e+01 1.25353e+01 7.16798e+01 278.877 1.02366e+00  -6.55389e+00 0.00000e+00 0.00000e+00 4.64713e+01 278.877 2.52085e+01 98.877  0.9212 
1 1 1 26 6  4  o 12 3.70596e+01 1.16100e+01 3.95155e+01 137.472 -2.29025e+00 2.10068e+00  0.00000e+00 0.00000e+00 4.41686e+01 137.472 4.65306e+00 137.472 0.8176 
1 1 1 26 6  5  o 10 3.02808e+01 1.02535e+01 2.78600e+01 353.240 2.01630e+00  -2.39009e-01 0.00000e+00 0.00000e+00 3.08820e+01 353.240 3.02192e+00 353.240 0.7027 
1 1 1 26 6  6  o 7  4.10754e+01 1.23396e+01 5.43328e+01 99.481  -7.64122e-01 4.57550e+00  0.00000e+00 0.00000e+00 4.58910e+01 99.481  8.44184e+00 279.481 0.8843 
1 1 1 26 6  7  o 11 4.87011e+01 1.30175e+01 2.09936e+01 24.889  1.83491e+00  8.51322e-01  0.00000e+00 0.00000e+00 7.32199e+01 24.889  5.22262e+01 24.889  0.7015 
1 1 1 26 6  8  o 15 5.56777e+01 1.29284e+01 7.37818e+01 322.553 6.48391e+00  -4.96582e+00 0.00000e+00 0.00000e+00 6.99387e+01 322.553 3.84316e+00 142.553 0.9366 
1 1 1 26 6  9  o 10 3.37961e+01 1.10607e+01 1.97636e+01 283.568 3.54392e-01  -1.46852e+00 0.00000e+00 0.00000e+00 3.59651e+01 283.568 1.62015e+01 283.568 0.5988 
1 1 1 26 6  10 o 18 3.82524e+01 1.19822e+01 5.73500e+01 145.435 -3.78741e+00 2.60936e+00  0.00000e+00 0.00000e+00 3.56129e+01 145.435 2.17372e+01 325.435 0.8832 
1 1 1 26 6  11 o 11 3.82861e+01 1.18978e+01 4.47392e+01 55.888  2.02103e+00  2.98370e+00  0.00000e+00 0.00000e+00 4.43445e+01 55.888  3.94713e-01 235.888 0.8463 
1 1 1 26 6  12 o 14 8.84868e+01 1.10354e+01 8.70089e+01 83.257  2.01177e+00  1.70152e+01  0.00000e+00 0.00000e+00 1.48817e+02 83.257  6.18083e+01 83.257  0.9704 
1 1 1 26 6  13 o 9  3.17364e+01 1.04615e+01 1.49268e+01 147.872 -1.01711e+00 6.38732e-01  0.00000e+00 0.00000e+00 2.97491e+01 147.872 1.48223e+01 147.872 0.5131 
1 1 1 26 6  14 f 0  8.65917e+01 1.15888e+01 1.06967e+02 323.061 1.72276e+01  -1.29531e+01 0.00000e+00 0.00000e+00 1.24753e+02 323.061 1.77859e+01 323.061 0.9765 
1 1 1 26 7  0  f 0  2.87747e+01 1.86166e+01 2.05965e+01 180.000 -5.73245e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.06513e+01 180.000 5.47232e-02 180.000 0.5177 
1 1 1 26 7  1  o 10 3.20827e+01 1.05786e+01 1.99111e+01 270.557 1.43714e-02  -1.47860e+00 0.00000e+00 0.00000e+00 3.25676e+01 270.557 1.26565e+01 270.557 0.5908 
1 1 1 26 7  2  o 5  5.19863e+01 1.28271e+01 4.53588e+01 178.202 -4.66694e+00 1.46518e-01  0.00000e+00 0.00000e+00 8.20168e+01 178.202 3.66580e+01 178.202 0.8851 
1 1 1 26 7  3  f 0  3.04592e+01 1.02067e+01 6.22143e+01 36.104  3.63032e+00  2.64765e+00  0.00000e+00 0.00000e+00 1.19812e+01 36.104  5.02331e+01 216.104 0.8801 
1 1 1 26 7  4  o 19 8.42264e+01 1.09571e+01 8.81121e+01 222.799 -1.22617e+01 -1.13542e+01 0.00000e+00 0.00000e+00 1.37843e+02 222.799 4.97305e+01 222.799 0.9696 
1 1 1 26 7  5  o 17 1.23281e+02 8.56456e+00 1.82632e+02 15.503  5.70970e+01  1.58378e+01  0.00000e+00 0.00000e+00 1.55442e+02 15.503  2.71892e+01 195.503 0.9915 
1 1 1 26 7  6  o 6  2.99826e+01 1.00721e+01 3.71764e+01 167.249 -2.59198e+00 5.86530e-01  0.00000e+00 0.00000e+00 2.75645e+01 167.249 9.61188e+00 347.249 0.7811 
1 1 1 26 7  7  o 12 3.07353e+01 1.03482e+01 4.14389e+01 30.333  2.56884e+00  1.50309e+00  0.00000e+00 0.00000e+00 2.71930e+01 30.333  1.42459e+01 210.333 0.8082 
1 1 1 26 7  8  o 3  3.27744e+01 1.07404e+01 1.55207e+01 31.604  9.84274e-01  6.05625e-01  0.00000e+00 0.00000e+00 2.96205e+01 31.604  1.40999e+01 31.604  0.4988 
1 1 1 26 7  9  o 11 4.06795e+01 1.22867e+01 4.90860e+01 175.506 -4.41306e+00 3.46812e-01  0.00000e+00 0.00000e+00 4.94737e+01 175.506 3.87757e-01 175.506 0.8781 
1 1 1 26 7  10 o 3  3.97181e+01 1.19396e+01 4.00765e+01 266.273 -2.34991e-01 -3.60740e+00 0.00000e+00 0.00000e+00 5.26541e+01 266.273 1.25777e+01 266.273 0.8469 
1 1 1 26 7  11 o 15 4.62957e+01 1.54888e+01 5.89245e+01 113.130 -1.86268e+00 4.36060e+00  0.00000e+00 0.00000e+00 5.41827e+01 113.130 4.74182e+00 293.130 0.8870 
1 1 1 26 8  0  o 5  4.34687e+01 2.23763e+01 1.04740e+02 180.000 -3.86156e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.57627e+01 180.000 8.89775e+01 0.000   0.9991 
1 1 1 26 8  1  o 19 4.01709e+01 1.19046e+01 1.92174e+01 119.841 -8.75304e-01 1.52583e+00  0.00000e+00 0.00000e+00 5.36702e+01 119.841 3.44528e+01 119.841 0.6540 
1 1 1 26 8  2  o 18 4.35449e+01 1.27124e+01 4.24200e+01 274.759 3.28480e-01  -3.94538e+00 0.00000e+00 0.00000e+00 6.17011e+01 274.759 1.92811e+01 274.759 0.8619 
1 1 1 26 8  3  o 11 4.20742e+01 1.23542e+01 4.54612e+01 168.036 -4.11856e+00 8.72719e-01  0.00000e+00 0.00000e+00 5.61964e+01 168.036 1.07352e+01 168.036 0.8711 
1 1 1 26 8  4  o 3  5.19245e+01 1.45770e+01 6.53392e+01 355.125 6.28770e+00  -5.36309e-01 0.00000e+00 0.00000e+00 6.66728e+01 355.125 1.33358e+00 355.125 0.9169 
1 1 1 26 8  5  o 3  4.26085e+01 1.52109e+01 2.98057e+01 106.162 -6.26618e-01 2.16217e+00  0.00000e+00 0.00000e+00 5.69935e+01 106.162 2.71878e+01 106.162 0.7350 
1 1 1 27 0  1  o 11 2.66108e+01 1.78586e+01 4.99050e+01 315.000 9.40768e-01  -9.40768e-01 0.00000e+00 0.00000e+00 1.41812e+01 315.000 3.57238e+01 135.000 0.8694 
1 1 1 27 0  2  o 12 4.73767e+01 2.42454e+01 7.67402e+01 0.000   2.65206e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.31863e+01 0.000   2.35538e+01 180.000 0.9901 
1 1 1 27 0  3  o 1  1.86488e+01 1.35771e+01 5.06733e+01 45.000  8.22284e-01  8.22284e-01  0.00000e+00 0.00000e+00 8.22423e+00 225.000 5.88975e+01 225.000 0.8220 
1 1 1 27 0  4  o 10 3.54966e+01 2.12468e+01 5.30010e+01 90.000  9.73713e-17  1.59019e+00  0.00000e+00 0.00000e+00 3.74233e+01 90.000  1.55777e+01 270.000 0.9202 
1 1 1 27 0  5  o 4  2.63995e+01 1.77934e+01 3.33459e+00 135.000 -6.24102e-02 6.24102e-02  0.00000e+00 0.00000e+00 3.09669e+00 135.000 2.37901e-01 315.000 0.0880 
1 1 1 27 0  6  o 13 1.27395e+02 1.14552e+01 1.30057e+02 180.000 -2.23255e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.22317e+02 180.000 9.22596e+01 180.000 1.0000 
1 1 1 27 0  7  o 11 2.22175e+01 1.56857e+01 1.75918e+01 225.000 -3.35272e-01 -3.35272e-01 0.00000e+00 0.00000e+00 9.52728e+00 225.000 8.06455e+00 45.000  0.4415 
1 1 1 27 0  8  o 9  2.04979e+01 1.47388e+01 3.18350e+01 90.000  5.08448e-17  8.30358e-01  0.00000e+00 0.00000e+00 6.71034e+00 90.000  2.51247e+01 270.000 0.6807 
1 1 1 27 0  9  o 4  2.02500e+01 1.46617e+01 3.32721e+01 135.000 -6.07448e-01 6.07448e-01  0.00000e+00 0.00000e+00 5.62356e+00 135.000 2.76485e+01 315.000 0.6958 
1 1 1 27 0  10 o 3  2.75944e+01 2.03940e+01 1.69749e+01 0.000   4.40572e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.45460e+01 0.000   2.42890e+00 180.000 0.4141 
1 1 1 27 1  0  o 19 2.78052e+01 1.84510e+01 1.84599e+01 0.000   4.99064e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.70847e+01 0.000   1.37529e+00 180.000 0.4614 
1 1 1 27 1  1  o 19 3.47011e+01 1.13302e+01 2.79780e+01 123.821 -1.18421e+00 1.76754e+00  0.00000e+00 0.00000e+00 4.10182e+01 123.821 1.30402e+01 123.821 0.7176 
1 1 1 27 1  2  o 5  3.13347e+01 1.06186e+01 5.20786e+01 126.712 -2.24333e+00 3.00835e+00  0.00000e+00 0.00000e+00 2.19902e+01 126.712 3.00884e+01 306.712 0.8533 
1 1 1 27 1  3  o 9  3.75626e+01 1.18095e+01 5.31256e+01 319.181 3.19882e+00  -2.76298e+00 0.00000e+00 0.00000e+00 3.75619e+01 319.181 1.55637e+01 139.181 0.8717 
1 1 1 27 1  4  o 4  3.36731e+01 1.12210e+01 1.78580e+01 299.438 6.51404e-01  -1.15426e+00 0.00000e+00 0.00000e+00 3.34121e+01 299.438 1.55541e+01 299.438 0.5499 
1 1 1 27 1  5  o 7  7.42570e+01 1.31955e+01 9.09440e+01 155.411 -1.17888e+01 5.39465e+00  0.00000e+00 0.00000e+00 1.06485e+02 155.411 1.55407e+01 155.411 0.9606 
1 1 1 27 1  6  o 7  1.20127e+02 8.52518e+00 1.41989e+02 49.653  3.22695e+01  3.79871e+01  0.00000e+00 0.00000e+00 1.86979e+02 49.653  4.49898e+01 49.653  0.9899 
1 1 1 27 1  7  o 10 8.87395e+01 1.13763e+01 1.06131e+02 216.779 -1.79061e+01 -1.33854e+01 0.00000e+00 0.00000e+00 1.33668e+02 216.779 2.75372e+01 216.779 0.9774 
1 1 1 27 1  8  o 7  4.96830e+01 1.34485e+01 6.72210e+01 219.462 -5.23000e+00 -4.30552e+00 0.00000e+00 0.00000e+00 5.94746e+01 219.462 7.74638e+00 39.462  0.9229 
1 1 1 27 1  9  o 18 4.28870e+01 1.30048e+01 3.04548e+01 269.391 -2.90668e-02 -2.73512e+00 0.00000e+00 0.00000e+00 6.28938e+01 269.391 3.24390e+01 269.391 0.7883 
1 1 1 27 2  0  o 16 4.48636e+01 2.34610e+01 7.61828e+01 180.000 -2.58656e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.67717e+01 180.000 2.94111e+01 0.000   0.9887 
1 1 1 27 2  1  o 6  4.86996e+01 1.34264e+01 7.05891e+01 52.932  3.91588e+00  5.18366e+00  0.00000e+00 0.00000e+00 5.35202e+01 52.932  1.70689e+01 232.932 0.9194 
1 1 1 27 2  2  o 7  4.22064e+01 1.28635e+01 6.72808e+01 247.562 -2.13018e+00 -5.15860e+00 0.00000e+00 0.00000e+00 3.86144e+01 247.562 2.86664e+01 67.562  0.9053 
1 1 1 27 2  3  o 4  3.05934e+01 1.03572e+01 3.28486e+01 137.609 -1.73244e+00 1.58142e+00  0.00000e+00 0.00000e+00 3.04828e+01 137.609 2.36586e+00 317.609 0.7471 
1 1 1 27 2  4  o 13 2.88261e+01 1.00178e+01 7.57758e+01 84.208  5.79579e-01  5.71359e+00  0.00000e+00 0.00000e+00 3.26109e+00 264.208 7.90369e+01 264.208 0.9082 
1 1 1 27 2  5  o 2  4.02976e+01 1.25241e+01 7.16177e+01 233.601 -3.73127e+00 -5.06116e+00 0.00000e+00 0.00000e+00 3.06573e+01 233.601 4.09604e+01 53.601  0.9166 
1 1 1 27 2  6  o 7  4.98574e+01 1.38742e+01 1.02302e+02 357.413 1.00149e+01  -4.52455e-01 0.00000e+00 0.00000e+00 2.86082e+01 357.413 7.36936e+01 177.413 0.9487 
1 1 1 27 2  7  o 9  5.19713e+01 1.35996e+01 3.14384e+01 275.344 3.05060e-01  -3.26097e+00 0.00000e+00 0.00000e+00 8.76527e+01 275.344 5.62143e+01 275.344 0.8284 
1 1 1 27 2  8  o 7  2.95444e+01 1.02295e+01 4.20858e+01 359.129 3.20022e+00  -4.86272e-02 0.00000e+00 0.00000e+00 2.51907e+01 359.129 1.68951e+01 179.129 0.8238 
1 1 1 27 3  0  o 15 4.33362e+01 2.30501e+01 2.01013e+01 180.000 -7.13836e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.35953e+01 180.000 3.34940e+01 180.000 0.6131 
1 1 1 27 3  1  o 9  4.54401e+01 1.33162e+01 5.12281e+01 313.598 3.29147e+00  -3.45664e+00 0.00000e+00 0.00000e+00 6.06737e+01 313.598 9.44560e+00 313.598 0.8878 
1 1 1 27 3  2  o 7  4.63487e+01 1.27399e+01 6.24254e+01 70.355  2.08285e+00  5.83495e+00  0.00000e+00 0.00000e+00 5.52282e+01 70.355  7.19715e+00 250.355 0.9153 
1 1 1 27 3  3  o 17 4.37363e+01 1.28684e+01 7.87128e+01 8.451   7.21790e+00  1.07243e+00  0.00000e+00 0.00000e+00 3.39121e+01 8.451   4.48007e+01 188.451 0.9287 
1 1 1 27 3  4  o 12 4.01544e+01 1.25251e+01 3.06099e+01 289.987 9.13341e-01  -2.51114e+00 0.00000e+00 0.00000e+00 5.64849e+01 289.987 2.58751e+01 289.987 0.7825 
1 1 1 27 3  5  o 10 6.63621e+01 1.43078e+01 8.64742e+01 10.303  1.07209e+01  1.94894e+00  0.00000e+00 0.00000e+00 8.87533e+01 10.303  2.27906e+00 10.303  0.9529 
1 1 1 27 3  6  o 7  4.39870e+01 1.45593e+01 7.56700e+01 270.202 2.18396e-02  -6.19669e+00 0.00000e+00 0.00000e+00 3.58366e+01 270.202 3.98334e+01 90.202  0.9153 
1 1 1 27 4  0  o 7  4.34808e+01 3.03268e+01 1.00881e+01 180.000 -2.48711e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.93343e+01 180.000 9.24620e+00 180.000 0.2437 
# 
#END OF REFLECTIONS
