data_r6w88sf
# 
_audit.revision_id     1_0 
_audit.creation_date   2021-01-27 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      6w88 
_cell.length_a      67.006 
_cell.length_b      119.996 
_cell.length_c      128.794 
_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   1.0332 
# 
_entry.id   6w88 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               6w88 
_symmetry.space_group_name_H-M   "P 21 21 21" 
_symmetry.Int_Tables_number      19 
# 
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  1  40 o 10 4.92907e+01 3.62280e+01 6.21477e+00 270.000 1.70465e-08  -1.94989e-01 0.00000e+00 0.00000e+00 1.32778e+01 270.000 7.06299e+00 270.000 0.1926 
1 1 1 0  2  40 o 19 4.51541e+01 3.33838e+01 1.96873e+00 0.000   6.49089e-02  0.00000e+00  0.00000e+00 0.00000e+00 4.05181e+00 0.000   2.08307e+00 0.000   0.0648 
1 1 1 0  3  39 o 14 5.08856e+01 3.75329e+01 2.76641e+01 270.000 7.11423e-08  -8.13773e-01 0.00000e+00 0.00000e+00 4.14390e+01 270.000 1.37749e+01 270.000 0.6717 
1 1 1 0  3  40 o 16 4.33306e+01 3.22263e+01 6.94434e-01 90.000  1.42351e-18  2.32477e-02  0.00000e+00 0.00000e+00 1.38285e+00 90.000  6.88417e-01 90.000  0.0232 
1 1 1 0  4  38 o 10 4.93040e+01 3.60840e+01 2.17142e+00 0.000   6.07022e-02  0.00000e+00  0.00000e+00 0.00000e+00 3.77822e+00 0.000   1.60680e+00 0.000   0.0606 
1 1 1 0  4  39 o 18 5.32029e+01 3.89958e+01 1.94304e+01 180.000 -5.59111e-01 -0.00000e+00 0.00000e+00 0.00000e+00 3.53449e+01 180.000 1.59145e+01 180.000 0.5073 
1 1 1 0  4  40 o 1  4.68425e+01 3.47545e+01 1.00825e+01 0.000   3.20483e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.99745e+01 0.000   9.89204e+00 0.000   0.3099 
1 1 1 0  5  37 o 9  7.34314e+01 5.01400e+01 1.36577e+01 270.000 2.96210e-08  -3.38825e-01 0.00000e+00 0.00000e+00 3.33833e+01 270.000 1.97256e+01 270.000 0.3264 
1 1 1 0  5  38 o 10 3.96438e+01 2.94998e+01 1.85988e+01 270.000 5.15697e-08  -5.89889e-01 0.00000e+00 0.00000e+00 2.34082e+01 270.000 4.80939e+00 270.000 0.5298 
1 1 1 0  5  39 o 5  5.42428e+01 3.98190e+01 3.63852e+00 90.000  6.35623e-18  1.03805e-01  0.00000e+00 0.00000e+00 7.80236e+00 90.000  4.16384e+00 90.000  0.1034 
1 1 1 0  6  37 o 5  6.48291e+01 4.53099e+01 7.90978e+00 180.000 -2.01763e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.75660e+01 180.000 9.65622e+00 180.000 0.1991 
1 1 1 0  6  38 o 2  6.59596e+01 4.65286e+01 1.69465e+01 180.000 -4.34488e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.73334e+01 180.000 2.03869e+01 180.000 0.4091 
1 1 1 0  6  39 o 9  4.91196e+01 3.62844e+01 8.05258e+00 0.000   2.45552e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.62019e+01 0.000   8.14928e+00 0.000   0.2407 
1 1 1 0  7  5  o 11 7.99386e+02 3.66815e+01 7.37314e+02 90.000  -5.63056e-07 6.44061e+00  0.00000e+00 0.00000e+00 3.94892e+02 90.000  3.42422e+02 270.000 1.0000 
1 1 1 0  7  35 o 16 5.91361e+01 4.13829e+01 3.12353e+01 90.000  -6.40230e-08 7.32338e-01  0.00000e+00 0.00000e+00 3.95550e+01 90.000  8.31971e+00 90.000  0.6245 
1 1 1 0  7  36 o 9  6.96390e+01 4.74635e+01 1.33294e+01 90.000  -2.79429e-08 3.19629e-01  0.00000e+00 0.00000e+00 2.86872e+01 90.000  1.53577e+01 90.000  0.3092 
1 1 1 0  7  38 o 6  5.30945e+01 3.88443e+01 6.48909e+00 270.000 1.56568e-08  -1.79093e-01 0.00000e+00 0.00000e+00 1.25698e+01 270.000 6.08067e+00 270.000 0.1772 
1 1 1 0  7  39 o 6  4.49162e+01 3.32857e+01 5.65916e+00 90.000  -1.58169e-08 1.80924e-01  0.00000e+00 0.00000e+00 1.09446e+01 90.000  5.28545e+00 90.000  0.1790 
1 1 1 0  8  4  o 15 1.13530e+03 4.87398e+01 9.69037e+02 0.000   1.09307e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.48183e+02 0.000   3.20855e+02 180.000 1.0000 
1 1 1 0  8  6  o 6  4.17464e+02 2.42809e+01 3.04751e+02 0.000   1.38428e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.22345e+02 0.000   8.24061e+01 180.000 0.8819 
1 1 1 0  8  34 o 6  6.81911e+01 4.61095e+01 7.53475e+01 0.000   1.74586e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.64902e+01 0.000   2.88573e+01 180.000 0.9409 
1 1 1 0  8  35 o 18 5.56876e+01 3.97814e+01 1.29194e+01 0.000   3.06170e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.90332e+01 0.000   6.11379e+00 0.000   0.2969 
1 1 1 0  8  36 o 4  6.14976e+01 4.35056e+01 1.19586e+00 180.000 -2.99557e-02 -0.00000e+00 0.00000e+00 0.00000e+00 2.42698e+00 180.000 1.23112e+00 180.000 0.0299 
1 1 1 0  8  38 o 15 4.74847e+01 3.50069e+01 4.70488e-01 0.000   1.44504e-02  0.00000e+00  0.00000e+00 0.00000e+00 9.30564e-01 0.000   4.60076e-01 0.000   0.0144 
1 1 1 0  8  39 o 16 5.39420e+01 3.95559e+01 2.58539e+00 180.000 -7.53864e-02 0.00000e+00  0.00000e+00 0.00000e+00 5.86512e+00 180.000 3.27974e+00 180.000 0.0752 
1 1 1 0  9  2  o 18 9.29523e+02 4.15523e+01 5.42382e+02 90.000  2.86692e-16  4.68204e+00  0.00000e+00 0.00000e+00 7.89502e+02 90.000  2.47121e+02 90.000  0.9998 
1 1 1 0  9  5  o 6  2.61353e+02 2.03419e+01 3.61789e+02 270.000 1.34478e-07  -1.53825e+00 0.00000e+00 0.00000e+00 1.84518e+01 90.000  3.80240e+02 90.000  0.9118 
1 1 1 0  9  6  o 6  1.51077e+03 6.35711e+01 8.97928e+02 270.000 1.70850e-06  -1.95430e+01 0.00000e+00 0.00000e+00 1.28472e+03 270.000 3.86795e+02 270.000 1.0000 
1 1 1 0  9  7  o 10 5.65400e+02 2.87644e+01 7.53471e+02 270.000 5.03642e-07  -5.76099e+00 0.00000e+00 0.00000e+00 6.60422e+01 270.000 6.87429e+02 90.000  1.0000 
1 1 1 0  9  8  o 8  2.04310e+03 8.68482e+01 1.59107e+03 90.000  -3.60517e-06 4.12384e+01  0.00000e+00 0.00000e+00 1.38156e+03 90.000  2.09506e+02 270.000 1.0000 
1 1 1 0  9  33 o 12 7.67625e+01 4.90889e+01 9.55290e+01 270.000 1.80042e-07  -2.05944e+00 0.00000e+00 0.00000e+00 4.44717e+01 270.000 5.10573e+01 90.000  0.9680 
1 1 1 0  9  34 o 10 4.51341e+01 3.28795e+01 5.63731e+00 90.000  8.36820e-18  1.36663e-01  0.00000e+00 0.00000e+00 6.10923e+00 90.000  4.71924e-01 90.000  0.1358 
1 1 1 0  9  35 o 5  5.92020e+01 4.18525e+01 4.94569e+01 90.000  7.23033e-17  1.18080e+00  0.00000e+00 0.00000e+00 4.60895e+01 90.000  3.36738e+00 270.000 0.8277 
1 1 1 0  9  36 o 18 6.66197e+01 4.61641e+01 9.06322e+00 90.000  -2.02998e-08 2.32202e-01  0.00000e+00 0.00000e+00 2.11042e+01 90.000  1.20410e+01 90.000  0.2281 
1 1 1 0  9  38 o 13 5.13256e+01 3.78060e+01 9.30272e+00 270.000 -1.64850e-17 -2.69221e-01 0.00000e+00 0.00000e+00 1.85016e+01 270.000 9.19886e+00 270.000 0.2629 
1 1 1 0  9  39 o 1  4.39628e+01 3.26992e+01 7.42830e+00 90.000  1.48907e-17  2.43184e-01  0.00000e+00 0.00000e+00 1.46007e+01 90.000  7.17245e+00 90.000  0.2385 
1 1 1 0  10 2  o 19 4.99015e+02 2.65991e+01 5.83475e+02 0.000   4.70894e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.38833e+02 0.000   4.44642e+02 180.000 0.9998 
1 1 1 0  10 6  o 6  2.61132e+02 2.04634e+01 2.25613e+02 180.000 -7.59662e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.86287e+01 180.000 2.06985e+02 0.000   0.6409 
1 1 1 0  10 7  o 7  7.03125e+02 3.31793e+01 2.45890e+02 0.000   2.25229e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.61124e+02 0.000   5.15234e+02 0.000   0.9781 
1 1 1 0  10 8  o 10 6.74511e+02 3.24559e+01 2.78801e+02 180.000 -4.16644e+00 -0.00000e+00 0.00000e+00 0.00000e+00 7.12102e+02 180.000 4.33301e+02 180.000 0.9995 
1 1 1 0  10 9  o 6  6.55198e+01 2.70772e+01 1.33124e+02 180.000 -2.52922e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.09172e+02 0.000   2.42297e+02 0.000   0.2477 
1 1 1 0  10 10 o 14 6.70065e+02 3.29706e+01 4.06344e+02 0.000   8.60544e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.87483e+02 0.000   1.81139e+02 0.000   1.0000 
1 1 1 0  10 31 o 9  4.19989e+01 3.03418e+01 1.13871e+01 0.000   1.47072e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.54784e-02 180.000 1.14726e+01 180.000 0.1460 
1 1 1 0  10 32 o 3  6.16530e+01 4.20090e+01 6.64942e+01 0.000   1.25430e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.15673e+01 0.000   3.49269e+01 180.000 0.8495 
1 1 1 0  10 33 f 0  4.93785e+01 3.53745e+01 9.67199e+00 180.000 -2.02441e-01 0.00000e+00  0.00000e+00 0.00000e+00 9.09811e+00 180.000 5.73870e-01 0.000   0.1997 
1 1 1 0  10 34 o 15 5.52455e+01 3.93054e+01 1.30006e+01 180.000 -3.04105e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.85538e+01 180.000 5.55323e+00 180.000 0.2951 
1 1 1 0  10 36 f 0  6.11617e+01 4.32665e+01 1.57946e+01 180.000 -4.05160e-01 -0.00000e+00 0.00000e+00 0.00000e+00 3.13455e+01 180.000 1.55509e+01 180.000 0.3844 
1 1 1 0  10 37 o 3  5.63989e+01 4.07568e+01 4.03426e-02 0.000   1.09112e-03  0.00000e+00  0.00000e+00 0.00000e+00 8.53517e-02 0.000   4.50091e-02 0.000   0.0011 
1 1 1 0  11 2  o 11 6.11534e+02 3.02163e+01 5.43923e+02 270.000 -2.75900e-16 -4.50578e+00 0.00000e+00 0.00000e+00 3.51147e+02 270.000 1.92776e+02 90.000  0.9998 
1 1 1 0  11 6  o 1  6.31719e+02 3.05663e+01 3.57939e+02 90.000  -2.44058e-07 2.79170e+00  0.00000e+00 0.00000e+00 5.67409e+02 90.000  2.09470e+02 90.000  0.9925 
1 1 1 0  11 7  o 4  2.40204e+02 2.02908e+01 3.99278e+02 90.000  -1.80283e-07 2.06220e+00  0.00000e+00 0.00000e+00 5.49269e+01 270.000 4.54205e+02 270.000 0.9682 
1 1 1 0  11 8  o 4  3.14155e+01 1.86161e+01 1.33576e+02 90.000  -1.04364e-08 1.19379e-01  0.00000e+00 0.00000e+00 1.28029e+02 270.000 2.61605e+02 270.000 0.1188 
1 1 1 0  11 9  o 19 9.35208e+02 4.18604e+01 5.72236e+02 270.000 -1.00369e-15 -1.63916e+01 0.00000e+00 0.00000e+00 8.23758e+02 270.000 2.51522e+02 270.000 1.0000 
1 1 1 0  11 10 o 17 3.35316e+01 2.07581e+01 4.50758e+01 270.000 4.72058e-09  -5.39972e-02 0.00000e+00 0.00000e+00 4.23627e+01 90.000  8.74385e+01 90.000  0.0539 
1 1 1 0  11 11 o 12 7.04516e+01 2.95326e+01 2.94592e+01 270.000 6.98651e-09  -7.99164e-02 0.00000e+00 0.00000e+00 2.09877e+01 90.000  5.04470e+01 90.000  0.0797 
1 1 1 0  11 12 o 8  7.13187e+02 3.48377e+01 3.96694e+02 270.000 -8.42191e-16 -1.37540e+01 0.00000e+00 0.00000e+00 6.84935e+02 270.000 2.88241e+02 270.000 1.0000 
1 1 1 0  11 28 o 15 8.43126e+01 4.68500e+01 5.20596e+01 270.000 7.52105e-08  -8.60308e-01 0.00000e+00 0.00000e+00 5.25878e+01 270.000 5.28199e-01 270.000 0.6964 
1 1 1 0  11 29 o 6  5.91108e+01 3.85389e+01 5.34346e+01 270.000 6.89204e-08  -7.88357e-01 0.00000e+00 0.00000e+00 1.68333e+01 270.000 3.66013e+01 90.000  0.6575 
1 1 1 0  11 30 o 6  8.58014e+01 4.89342e+01 3.56553e+00 270.000 6.05108e-09  -6.92163e-02 0.00000e+00 0.00000e+00 7.31578e+00 270.000 3.75025e+00 270.000 0.0691 
1 1 1 0  11 31 o 19 5.67122e+01 3.89595e+01 2.38648e+01 90.000  2.51481e-17  4.10700e-01  0.00000e+00 0.00000e+00 1.72552e+01 90.000  6.60962e+00 270.000 0.3891 
1 1 1 0  11 33 o 1  7.88312e+01 5.09645e+01 1.25663e+01 270.000 -1.69037e-17 -2.76058e-01 0.00000e+00 0.00000e+00 2.82872e+01 270.000 1.57209e+01 270.000 0.2693 
1 1 1 0  11 34 o 2  4.38952e+01 3.22539e+01 7.57132e+01 90.000  1.11400e-16  1.81930e+00  0.00000e+00 0.00000e+00 5.81080e+00 90.000  6.99024e+01 270.000 0.9488 
1 1 1 0  11 35 o 18 6.33121e+01 4.44423e+01 3.53368e+00 270.000 7.34237e-09  -8.39869e-02 0.00000e+00 0.00000e+00 7.03312e+00 270.000 3.49944e+00 270.000 0.0838 
1 1 1 0  11 36 o 16 5.08628e+01 3.70923e+01 2.94545e+01 270.000 6.85472e-08  -7.84089e-01 0.00000e+00 0.00000e+00 3.81091e+01 270.000 8.65459e+00 270.000 0.6550 
1 1 1 0  11 37 o 1  5.42803e+01 3.95238e+01 1.24242e+01 90.000  2.16956e-17  3.54316e-01  0.00000e+00 0.00000e+00 2.57182e+01 90.000  1.32940e+01 90.000  0.3402 
1 1 1 0  12 2  o 14 1.43555e+02 2.01789e+01 1.15157e+01 180.000 -2.12345e-02 0.00000e+00  0.00000e+00 0.00000e+00 6.99857e+00 0.000   1.85143e+01 0.000   0.0212 
1 1 1 0  12 3  o 11 6.23998e+02 3.03671e+01 3.58837e+02 0.000   2.78732e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.60140e+02 0.000   2.01303e+02 0.000   0.9924 
1 1 1 0  12 6  o 15 4.48620e+01 1.99456e+01 4.66842e+01 180.000 -6.02438e-02 0.00000e+00  0.00000e+00 0.00000e+00 4.26511e+01 0.000   8.93352e+01 0.000   0.0602 
1 1 1 0  12 7  o 17 3.46534e+02 2.22974e+01 2.40890e+02 0.000   2.70682e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.73950e+02 0.000   3.30595e+01 0.000   0.9911 
1 1 1 0  12 8  o 4  1.54780e+02 2.03553e+01 2.09397e+02 0.000   9.91851e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.28296e+01 180.000 2.42227e+02 180.000 0.7582 
1 1 1 0  12 9  o 4  3.32863e+01 1.96120e+01 5.00100e+01 180.000 -5.82706e-02 -0.00000e+00 0.00000e+00 0.00000e+00 4.70823e+01 0.000   9.70924e+01 0.000   0.0582 
1 1 1 0  12 10 o 11 4.92016e+02 2.67504e+01 4.50218e+02 180.000 -8.46041e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.96851e+02 180.000 1.53368e+02 0.000   1.0000 
1 1 1 0  12 11 o 8  3.99361e+02 2.45082e+01 2.51779e+02 180.000 -4.97582e+00 -0.00000e+00 0.00000e+00 0.00000e+00 3.57766e+02 180.000 1.05987e+02 180.000 0.9999 
1 1 1 0  12 12 o 18 2.55202e+02 2.27126e+01 2.17655e+02 180.000 -2.77690e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.71141e+02 180.000 4.65137e+01 0.000   0.9923 
1 1 1 0  12 13 o 16 6.19882e+02 3.19038e+01 3.04059e+02 0.000   1.19653e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.53680e+02 0.000   3.49621e+02 0.000   1.0000 
1 1 1 0  12 14 o 8  5.36606e+02 2.95830e+01 5.28112e+02 0.000   1.60539e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.06627e+02 0.000   2.21486e+02 180.000 1.0000 
1 1 1 0  12 16 o 8  4.62708e+01 2.96247e+01 2.79298e+02 180.000 -1.12554e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.20144e+02 0.000   4.99442e+02 0.000   0.8095 
1 1 1 0  12 24 o 17 3.70911e+02 3.77240e+01 1.86065e+02 180.000 -7.42612e+00 -0.00000e+00 0.00000e+00 0.00000e+00 4.48947e+02 180.000 2.62882e+02 180.000 1.0000 
1 1 1 0  12 25 o 3  9.43019e+01 5.04821e+01 1.32267e+02 0.000   1.54219e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.68837e+01 0.000   1.15383e+02 180.000 0.9125 
1 1 1 0  12 26 o 19 5.83180e+01 3.78002e+01 4.94974e+01 180.000 -4.59256e-01 -0.00000e+00 0.00000e+00 0.00000e+00 5.52226e+00 0.000   5.50197e+01 0.000   0.4295 
1 1 1 0  12 28 o 12 4.93311e+01 3.36975e+01 4.55090e+00 180.000 -5.26614e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.31892e-01 180.000 4.41900e+00 0.000   0.0526 
1 1 1 0  12 30 o 11 8.27404e+01 4.92621e+01 7.81906e+01 0.000   1.35400e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.63085e+01 0.000   2.18820e+01 180.000 0.8750 
1 1 1 0  12 31 o 14 7.14443e+01 4.58300e+01 3.24248e+01 180.000 -6.28262e-01 -0.00000e+00 0.00000e+00 0.00000e+00 4.26313e+01 180.000 1.02066e+01 180.000 0.5569 
1 1 1 0  12 32 o 2  1.04263e+02 5.89822e+01 2.99357e+01 180.000 -6.77101e-01 0.00000e+00  0.00000e+00 0.00000e+00 8.79026e+01 180.000 5.79669e+01 180.000 0.5896 
1 1 1 0  12 33 o 12 7.91027e+01 5.12155e+01 7.87691e+01 0.000   1.84848e+00  0.00000e+00  0.00000e+00 0.00000e+00 6.79013e+01 0.000   1.08678e+01 180.000 0.9516 
1 1 1 0  12 34 o 9  4.66620e+01 3.40514e+01 1.36254e+01 180.000 -3.32860e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.60653e+01 180.000 2.43987e+00 180.000 0.3211 
1 1 1 0  12 35 o 1  6.98649e+01 4.77887e+01 5.82167e-01 180.000 -1.46280e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.47847e+00 180.000 8.96308e-01 180.000 0.0146 
1 1 1 0  12 36 o 15 5.68173e+01 4.09444e+01 2.89219e+01 0.000   7.55773e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.55619e+01 0.000   1.66400e+01 0.000   0.6386 
1 1 1 0  12 37 o 14 4.30238e+01 3.18967e+01 1.33367e+01 180.000 -4.21945e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.25201e+01 180.000 9.18340e+00 180.000 0.3986 
1 1 1 0  12 38 o 10 4.34985e+01 3.22265e+01 1.20191e+00 180.000 -3.95275e-02 0.00000e+00  0.00000e+00 0.00000e+00 2.46012e+00 180.000 1.25821e+00 180.000 0.0395 
1 1 1 0  13 2  o 7  4.89198e+02 2.63800e+01 3.32914e+02 270.000 4.15235e-07  -4.74973e+00 0.00000e+00 0.00000e+00 4.01729e+02 270.000 6.88159e+01 270.000 0.9999 
1 1 1 0  13 3  o 15 2.33160e+02 1.99633e+01 1.26657e+02 270.000 7.41120e-08  -8.47742e-01 0.00000e+00 0.00000e+00 1.15243e+02 270.000 1.14139e+01 90.000  0.6899 
1 1 1 0  13 7  o 1  1.53693e+02 1.94597e+01 3.03735e+01 270.000 1.45386e-08  -1.66302e-01 0.00000e+00 0.00000e+00 8.09967e+00 270.000 2.22739e+01 90.000  0.1648 
1 1 1 0  13 8  o 3  8.89508e+01 2.40712e+01 1.10546e+02 270.000 -2.37828e-17 -3.88403e-01 0.00000e+00 0.00000e+00 6.03631e+01 90.000  1.70910e+02 90.000  0.3700 
1 1 1 0  13 9  o 12 5.52068e+01 2.46808e+01 1.37423e+02 270.000 3.41395e-08  -3.90510e-01 0.00000e+00 0.00000e+00 1.05990e+02 90.000  2.43413e+02 90.000  0.3718 
1 1 1 0  13 10 o 14 3.01382e+01 1.85622e+01 8.05786e+01 90.000  7.85673e-18  1.28310e-01  0.00000e+00 0.00000e+00 7.46606e+01 270.000 1.55239e+02 270.000 0.1276 
1 1 1 0  13 11 o 10 1.09997e+02 2.63955e+01 5.70794e+00 270.000 -1.95666e-18 -3.19547e-02 0.00000e+00 0.00000e+00 2.72480e-01 90.000  5.98042e+00 90.000  0.0319 
1 1 1 0  13 12 o 16 2.33711e+01 1.61781e+01 1.58694e+02 270.000 -1.49190e-17 -2.43647e-01 0.00000e+00 0.00000e+00 1.50005e+02 90.000  3.08699e+02 90.000  0.2389 
1 1 1 0  13 13 o 11 3.40645e+01 2.19292e+01 9.21999e+01 270.000 1.58568e-08  -1.81381e-01 0.00000e+00 0.00000e+00 8.26304e+01 90.000  1.74830e+02 90.000  0.1794 
1 1 1 0  13 14 o 13 9.37255e+01 3.53862e+01 5.01927e+00 270.000 3.30451e-09  -3.77992e-02 0.00000e+00 0.00000e+00 5.63089e-01 270.000 4.45618e+00 90.000  0.0378 
1 1 1 0  13 15 o 2  9.84162e+01 3.98235e+01 1.73894e+02 270.000 1.25334e-07  -1.43365e+00 0.00000e+00 0.00000e+00 3.44199e+01 90.000  2.08313e+02 90.000  0.8924 
1 1 1 0  13 17 o 14 4.58580e+01 3.02614e+01 1.41907e+02 90.000  4.18380e-17  6.83266e-01  0.00000e+00 0.00000e+00 9.79721e+01 270.000 2.39879e+02 270.000 0.5936 
1 1 1 0  13 18 o 16 7.26108e+01 4.08132e+01 1.35472e+02 270.000 -6.09289e-17 -9.95045e-01 0.00000e+00 0.00000e+00 4.56812e+01 90.000  1.81154e+02 90.000  0.7595 
1 1 1 0  13 19 o 12 6.66234e+01 4.02568e+01 2.85784e+01 270.000 -1.22670e-17 -2.00336e-01 0.00000e+00 0.00000e+00 6.93209e+00 90.000  3.55105e+01 90.000  0.1977 
1 1 1 0  13 20 o 10 1.42977e+02 5.05349e+01 2.21854e+01 270.000 -2.00039e-17 -3.26688e-01 0.00000e+00 0.00000e+00 5.26914e+01 270.000 3.05060e+01 270.000 0.3155 
1 1 1 0  13 21 o 11 5.37446e+01 3.65507e+01 4.20044e+01 270.000 -1.61515e-17 -2.63774e-01 0.00000e+00 0.00000e+00 1.87679e+01 90.000  6.07724e+01 90.000  0.2578 
1 1 1 0  13 22 o 16 2.15647e+02 4.64419e+01 5.45197e+01 90.000  6.44606e-17  1.05272e+00  0.00000e+00 0.00000e+00 2.31671e+02 90.000  1.77151e+02 90.000  0.7829 
1 1 1 0  13 23 f 0  5.03537e+01 3.55435e+01 6.97497e+01 90.000  2.35915e-17  3.85278e-01  0.00000e+00 0.00000e+00 3.80405e+01 270.000 1.07790e+02 270.000 0.3673 
1 1 1 0  13 24 o 5  3.70824e+02 3.59770e+01 2.07158e+02 270.000 -5.96558e-16 -9.74253e+00 0.00000e+00 0.00000e+00 4.36224e+02 270.000 2.29066e+02 270.000 1.0000 
1 1 1 0  13 25 o 4  1.67215e+02 4.64473e+01 1.42801e+02 270.000 -2.02010e-16 -3.29907e+00 0.00000e+00 0.00000e+00 1.50126e+02 270.000 7.32562e+00 270.000 0.9973 
1 1 1 0  13 26 o 4  7.21962e+01 4.31107e+01 1.18775e+01 90.000  8.63091e-18  1.40953e-01  0.00000e+00 0.00000e+00 6.11036e+00 90.000  5.76717e+00 270.000 0.1400 
1 1 1 0  13 27 o 14 1.03887e+02 5.06272e+01 5.68802e+01 90.000  -9.52904e-08 1.09000e+00  0.00000e+00 0.00000e+00 9.24024e+01 90.000  3.55222e+01 90.000  0.7969 
1 1 1 0  13 29 o 15 5.96397e+01 3.95683e+01 4.20436e+01 270.000 6.01509e-08  -6.88046e-01 0.00000e+00 0.00000e+00 2.39700e+01 270.000 1.80736e+01 90.000  0.5967 
1 1 1 0  13 30 f 0  6.09417e+01 4.05173e+01 2.25461e+01 270.000 -2.47514e-17 -4.04221e-01 0.00000e+00 0.00000e+00 2.14614e+01 270.000 1.08473e+00 90.000  0.3836 
1 1 1 0  13 31 o 10 7.62542e+01 4.84003e+01 6.96332e+01 270.000 1.25452e-07  -1.43501e+00 0.00000e+00 0.00000e+00 6.05125e+01 270.000 9.12072e+00 90.000  0.8927 
1 1 1 0  13 32 o 5  4.50094e+01 3.25705e+01 1.04441e+01 270.000 -1.36935e-17 -2.23633e-01 0.00000e+00 0.00000e+00 8.78891e+00 270.000 1.65520e+00 90.000  0.2200 
1 1 1 0  13 33 o 17 7.19947e+01 4.84385e+01 2.74986e+01 90.000  -5.45486e-08 6.23963e-01  0.00000e+00 0.00000e+00 5.12424e+01 90.000  2.37438e+01 90.000  0.5539 
1 1 1 0  13 34 o 18 6.23347e+01 4.38441e+01 3.97792e+01 270.000 -5.80500e-17 -9.48029e-01 0.00000e+00 0.00000e+00 5.27185e+01 270.000 1.29394e+01 270.000 0.7389 
1 1 1 0  13 35 o 14 4.83920e+01 3.53588e+01 8.74073e+00 270.000 2.08004e-08  -2.37928e-01 0.00000e+00 0.00000e+00 1.43538e+01 270.000 5.61310e+00 270.000 0.2335 
1 1 1 0  13 36 f 0  4.63273e+01 3.40057e+01 2.57547e+01 90.000  4.60660e-17  7.52315e-01  0.00000e+00 0.00000e+00 3.55945e+01 90.000  9.83980e+00 90.000  0.6365 
1 1 1 0  13 37 o 18 4.50807e+01 3.32323e+01 6.86402e+00 270.000 1.90165e-08  -2.17524e-01 0.00000e+00 0.00000e+00 1.35944e+01 270.000 6.73039e+00 270.000 0.2142 
1 1 1 0  14 2  o 6  2.38599e+02 2.04670e+01 1.13100e+02 180.000 -8.36329e-01 -0.00000e+00 0.00000e+00 0.00000e+00 1.35525e+02 180.000 2.24255e+01 180.000 0.6839 
1 1 1 0  14 3  o 19 2.02831e+02 1.97391e+01 5.28491e+01 0.000   3.96982e-01  0.00000e+00  0.00000e+00 0.00000e+00 6.39258e+01 0.000   1.10767e+01 0.000   0.3774 
1 1 1 0  14 7  o 8  7.67553e+02 3.53772e+01 3.92519e+02 180.000 -1.52559e+01 -0.00000e+00 0.00000e+00 0.00000e+00 7.90372e+02 180.000 3.97853e+02 180.000 1.0000 
1 1 1 0  14 8  o 2  2.06789e+01 1.31910e+01 6.23579e+01 180.000 -6.51006e-02 -0.00000e+00 0.00000e+00 0.00000e+00 6.02783e+01 0.000   1.22636e+02 0.000   0.0650 
1 1 1 0  14 9  o 14 1.89091e+02 2.01583e+01 2.30909e+02 180.000 -2.23792e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.62521e+01 180.000 1.74657e+02 0.000   0.9775 
1 1 1 0  14 10 o 10 6.43744e+02 3.15682e+01 2.30385e+02 180.000 -7.31286e+00 -0.00000e+00 0.00000e+00 0.00000e+00 7.74542e+02 180.000 5.44157e+02 180.000 1.0000 
1 1 1 0  14 11 o 11 4.26099e+02 2.51189e+01 2.79613e+02 0.000   7.58035e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.89089e+02 0.000   1.09476e+02 0.000   1.0000 
1 1 1 0  14 12 o 8  3.69959e+01 2.28938e+01 6.05996e+01 180.000 -1.28268e-01 -0.00000e+00 0.00000e+00 0.00000e+00 5.31498e+01 0.000   1.13749e+02 0.000   0.1276 
1 1 1 0  14 13 o 13 3.74033e+01 2.34364e+01 5.84805e+01 180.000 -1.83527e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.76972e+01 0.000   1.06178e+02 0.000   0.1815 
1 1 1 0  14 14 o 14 6.82937e+01 3.34669e+01 1.33558e+02 180.000 -7.89897e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.16506e+01 0.000   1.95209e+02 0.000   0.6584 
1 1 1 0  14 15 o 6  3.74749e+01 2.51420e+01 5.63703e+01 180.000 -1.90724e-01 -0.00000e+00 0.00000e+00 0.00000e+00 4.49931e+01 0.000   1.01363e+02 0.000   0.1884 
1 1 1 0  14 17 o 19 1.00623e+02 4.30710e+01 4.15588e+01 180.000 -4.20580e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.39149e+01 180.000 1.76440e+01 0.000   0.3974 
1 1 1 0  14 18 o 2  3.38278e+02 2.93253e+01 2.16749e+02 180.000 -8.36745e+00 -0.00000e+00 0.00000e+00 0.00000e+00 3.42014e+02 180.000 1.25264e+02 180.000 1.0000 
1 1 1 0  14 19 o 13 2.29977e+02 3.51011e+01 1.47210e+02 180.000 -3.98674e+00 -0.00000e+00 0.00000e+00 0.00000e+00 2.35960e+02 180.000 8.87500e+01 180.000 0.9993 
1 1 1 0  14 21 o 19 5.84080e+01 3.91178e+01 6.12028e+01 180.000 -3.41714e-01 -0.00000e+00 0.00000e+00 0.00000e+00 2.85105e+01 0.000   8.97133e+01 0.000   0.3290 
1 1 1 0  14 22 o 13 5.10330e+02 3.57467e+01 2.94112e+02 180.000 -1.59025e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.83552e+02 180.000 2.89440e+02 180.000 1.0000 
1 1 1 0  14 23 o 11 5.26288e+01 3.67210e+01 4.96073e+01 0.000   2.82418e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.44198e+01 180.000 7.40271e+01 180.000 0.2751 
1 1 1 0  14 25 o 7  6.95573e+01 4.24586e+01 1.12889e+01 0.000   1.18805e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.36862e+00 0.000   7.92024e+00 180.000 0.1182 
1 1 1 0  14 26 o 18 4.92118e+01 3.31828e+01 8.88667e+01 180.000 -1.01332e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.07202e+01 0.000   1.09587e+02 0.000   0.7671 
1 1 1 0  14 27 o 13 4.38380e+01 3.07105e+01 4.33417e+01 180.000 -4.66695e-01 -0.00000e+00 0.00000e+00 0.00000e+00 8.41369e+00 0.000   5.17554e+01 0.000   0.4355 
1 1 1 0  14 29 o 9  4.11730e+01 2.94877e+01 4.52915e+01 0.000   5.63105e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.75534e+00 180.000 5.10468e+01 180.000 0.5103 
1 1 1 0  14 30 o 13 7.75322e+01 4.81301e+01 5.05727e+01 180.000 -1.00643e+00 -0.00000e+00 0.00000e+00 0.00000e+00 6.26082e+01 180.000 1.20355e+01 180.000 0.7643 
1 1 1 0  14 31 o 16 7.22552e+01 4.75752e+01 7.45986e+01 0.000   1.56111e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.37208e+01 0.000   2.08778e+01 180.000 0.9156 
1 1 1 0  14 32 o 5  7.26379e+01 4.76108e+01 1.66626e+01 0.000   3.98532e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.75458e+01 0.000   2.08832e+01 0.000   0.3787 
1 1 1 0  14 33 o 16 5.79776e+01 4.05698e+01 6.02404e+01 180.000 -1.45631e+00 -0.00000e+00 0.00000e+00 0.00000e+00 4.39328e+01 180.000 1.63076e+01 0.000   0.8969 
1 1 1 0  14 34 o 11 5.46349e+01 3.88349e+01 5.34497e-01 180.000 -1.38176e-02 -0.00000e+00 0.00000e+00 0.00000e+00 1.00348e+00 180.000 4.68984e-01 180.000 0.0138 
1 1 1 0  14 35 o 9  5.38109e+01 3.87188e+01 8.66947e+00 0.000   2.33223e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.68867e+01 0.000   8.21720e+00 0.000   0.2291 
1 1 1 0  14 36 o 5  4.42713e+01 3.25595e+01 1.77313e+01 180.000 -5.58868e-01 -0.00000e+00 0.00000e+00 0.00000e+00 2.96551e+01 180.000 1.19237e+01 180.000 0.5071 
1 1 1 0  14 37 o 6  4.54389e+01 3.34301e+01 1.21791e+01 180.000 -3.90978e-01 -0.00000e+00 0.00000e+00 0.00000e+00 2.41797e+01 180.000 1.20006e+01 180.000 0.3722 
1 1 1 0  15 1  o 14 2.86061e+02 2.16704e+01 3.13137e+02 270.000 3.12876e-07  -3.57889e+00 0.00000e+00 0.00000e+00 1.28511e+02 270.000 1.84626e+02 90.000  0.9984 
1 1 1 0  15 2  o 11 2.98474e+02 2.16086e+01 1.84642e+02 270.000 -1.33500e-16 -2.18022e+00 0.00000e+00 0.00000e+00 2.65588e+02 270.000 8.09459e+01 270.000 0.9748 
1 1 1 0  15 3  o 12 8.23459e+01 2.41550e+01 1.34729e+02 270.000 3.76156e-08  -4.30273e-01 0.00000e+00 0.00000e+00 8.29850e+01 90.000  2.17714e+02 90.000  0.4055 
1 1 1 0  15 4  f 0  5.61610e+02 2.84260e+01 3.44526e+02 270.000 -6.13762e-16 -1.00235e+01 0.00000e+00 0.00000e+00 5.27185e+02 270.000 1.82659e+02 270.000 1.0000 
1 1 1 0  15 8  o 9  4.85536e+01 2.14367e+01 1.13586e+00 90.000  -2.46046e-10 2.81443e-03  0.00000e+00 0.00000e+00 9.21171e-01 270.000 2.05703e+00 270.000 0.0028 
1 1 1 0  15 9  o 19 4.95877e+01 2.32969e+01 6.88384e+00 90.000  1.36612e-18  2.23104e-02  0.00000e+00 0.00000e+00 5.13855e+00 270.000 1.20224e+01 270.000 0.0223 
1 1 1 0  15 10 o 7  3.25501e+02 2.23481e+01 3.76400e+02 90.000  4.43037e-16  7.23534e+00  0.00000e+00 0.00000e+00 1.39647e+02 90.000  2.36753e+02 270.000 1.0000 
1 1 1 0  15 11 o 18 8.57797e+01 2.84717e+01 8.85565e+01 90.000  -4.72430e-08 5.40397e-01  0.00000e+00 0.00000e+00 2.11157e+01 270.000 1.09672e+02 270.000 0.4933 
1 1 1 0  15 12 o 19 9.05461e+01 3.10360e+01 2.63032e+02 270.000 -1.17865e-16 -1.92488e+00 0.00000e+00 0.00000e+00 1.23929e+02 90.000  3.86962e+02 90.000  0.9583 
1 1 1 0  15 13 o 2  1.47557e+02 2.84693e+01 8.76842e+01 90.000  6.97338e-17  1.13884e+00  0.00000e+00 0.00000e+00 1.06088e+02 90.000  1.84035e+01 90.000  0.8140 
1 1 1 0  15 14 o 6  1.33727e+02 3.08739e+01 1.61126e+02 270.000 1.65974e-07  -1.89853e+00 0.00000e+00 0.00000e+00 4.65461e+01 270.000 1.14580e+02 90.000  0.9561 
1 1 1 0  15 15 o 9  4.35170e+01 2.72992e+01 1.82762e+02 270.000 -5.24575e-17 -8.56696e-01 0.00000e+00 0.00000e+00 1.33309e+02 90.000  3.16071e+02 90.000  0.6946 
1 1 1 0  15 16 f 0  2.94355e+01 2.06886e+01 8.16298e+01 90.000  -2.40805e-08 2.75449e-01  0.00000e+00 0.00000e+00 6.85879e+01 270.000 1.50218e+02 270.000 0.2687 
1 1 1 0  15 18 o 17 1.52524e+02 4.06770e+01 9.02161e+01 270.000 1.43661e-07  -1.64329e+00 0.00000e+00 0.00000e+00 1.47208e+02 270.000 5.69915e+01 270.000 0.9279 
1 1 1 0  15 19 o 16 3.02832e+02 3.14692e+01 2.96105e+02 90.000  -9.08655e-07 1.03938e+01  0.00000e+00 0.00000e+00 2.16665e+02 90.000  7.94400e+01 270.000 1.0000 
1 1 1 0  15 20 o 7  3.01374e+02 3.36996e+01 1.79868e+02 90.000  -4.31836e-07 4.93963e+00  0.00000e+00 0.00000e+00 3.35425e+02 90.000  1.55557e+02 90.000  0.9999 
1 1 1 0  15 22 o 3  3.16976e+02 3.71785e+01 1.40071e+02 270.000 4.24903e-07  -4.86033e+00 0.00000e+00 0.00000e+00 4.13491e+02 270.000 2.73421e+02 270.000 0.9999 
1 1 1 0  15 23 o 13 8.78691e+01 4.79408e+01 2.72737e+01 270.000 2.69248e-08  -3.07983e-01 0.00000e+00 0.00000e+00 1.90761e+01 270.000 8.19756e+00 90.000  0.2986 
1 1 1 0  15 24 f 0  3.98752e+01 2.83121e+01 7.08901e+01 90.000  3.28602e-17  5.36648e-01  0.00000e+00 0.00000e+00 3.59308e+01 270.000 1.06821e+02 270.000 0.4904 
1 1 1 0  15 25 o 9  2.12803e+02 3.89925e+01 8.69099e+01 270.000 2.88950e-07  -3.30520e+00 0.00000e+00 0.00000e+00 2.97189e+02 270.000 2.10279e+02 270.000 0.9973 
1 1 1 0  15 26 o 14 5.79388e+01 3.75112e+01 1.26746e+01 90.000  -1.46492e-08 1.67567e-01  0.00000e+00 0.00000e+00 4.95892e+00 90.000  7.71569e+00 270.000 0.1660 
1 1 1 0  15 27 o 12 6.16133e+01 3.94399e+01 6.86420e-01 270.000 9.11751e-10  -1.04292e-02 0.00000e+00 0.00000e+00 5.07387e-01 270.000 1.79033e-01 90.000  0.0104 
1 1 1 0  15 28 o 9  1.02269e+02 5.40460e+01 1.00915e+02 270.000 -1.28356e-16 -2.09622e+00 0.00000e+00 0.00000e+00 8.60105e+01 270.000 1.49043e+01 90.000  0.9702 
1 1 1 0  15 29 o 17 4.93394e+01 3.44396e+01 3.27136e+01 270.000 4.75519e-08  -5.43930e-01 0.00000e+00 0.00000e+00 1.40522e+01 270.000 1.86614e+01 90.000  0.4960 
1 1 1 0  15 30 o 10 5.72386e+01 3.91438e+01 6.62659e+01 270.000 1.13186e-07  -1.29470e+00 0.00000e+00 0.00000e+00 2.92592e+01 270.000 3.70067e+01 90.000  0.8604 
1 1 1 0  15 31 o 7  6.36763e+01 4.26222e+01 4.79106e+01 90.000  6.56109e-17  1.07151e+00  0.00000e+00 0.00000e+00 5.11846e+01 90.000  3.27407e+00 90.000  0.7900 
1 1 1 0  15 32 o 16 6.74969e+01 4.53848e+01 6.34753e+01 90.000  -1.28896e-07 1.47440e+00  0.00000e+00 0.00000e+00 5.81595e+01 90.000  5.31579e+00 270.000 0.9004 
1 1 1 0  15 33 o 9  6.44935e+01 4.42807e+01 3.03867e+01 270.000 6.41668e-08  -7.33982e-01 0.00000e+00 0.00000e+00 5.16845e+01 270.000 2.12978e+01 270.000 0.6255 
1 1 1 0  15 34 o 14 4.84746e+01 3.49274e+01 8.57789e+00 90.000  1.45082e-17  2.36937e-01  0.00000e+00 0.00000e+00 1.47520e+01 90.000  6.17411e+00 90.000  0.2326 
1 1 1 0  15 35 o 13 4.63109e+01 3.38060e+01 2.65689e+00 270.000 6.80678e-09  -7.78605e-02 0.00000e+00 0.00000e+00 4.91962e+00 270.000 2.26272e+00 270.000 0.0777 
1 1 1 0  15 36 f 0  5.34828e+01 3.87527e+01 2.99860e+01 270.000 -5.22038e-17 -8.52553e-01 0.00000e+00 0.00000e+00 4.93907e+01 270.000 1.94048e+01 270.000 0.6924 
1 1 1 0  16 1  o 11 7.09579e+02 3.42189e+01 5.63063e+02 180.000 -2.07467e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.52446e+02 180.000 1.06165e+01 0.000   1.0000 
1 1 1 0  16 2  o 1  1.80093e+02 2.07238e+01 3.09197e+02 180.000 -2.95631e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.73925e+01 0.000   3.36590e+02 0.000   0.9946 
1 1 1 0  16 3  o 16 3.56618e+02 2.27626e+01 3.68293e+02 180.000 -6.85045e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.93467e+02 180.000 1.74826e+02 0.000   1.0000 
1 1 1 0  16 4  o 19 1.24944e+02 2.03775e+01 1.15286e+02 0.000   7.40080e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.76927e+00 0.000   1.06517e+02 180.000 0.6292 
1 1 1 0  16 8  o 8  1.50492e+02 1.92528e+01 3.72121e+00 0.000   3.35367e-02  0.00000e+00  0.00000e+00 0.00000e+00 4.33708e+00 0.000   6.15875e-01 0.000   0.0335 
1 1 1 0  16 9  o 17 1.32064e+02 2.05929e+01 1.10746e+02 0.000   1.08127e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.73882e+01 0.000   5.33583e+01 180.000 0.7937 
1 1 1 0  16 10 o 16 2.19093e+01 1.46217e+01 2.00449e+01 0.000   3.82172e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.86959e+01 180.000 3.87408e+01 180.000 0.0382 
1 1 1 0  16 11 o 3  8.62024e+01 2.88603e+01 8.81744e+01 180.000 -6.87661e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.85845e+00 0.000   9.30328e+01 0.000   0.5965 
1 1 1 0  16 12 o 8  4.67824e+01 2.67643e+01 1.36093e+02 0.000   4.65361e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.02969e+02 180.000 2.39062e+02 180.000 0.4344 
1 1 1 0  16 13 o 13 2.76184e+02 2.34436e+01 2.27452e+02 0.000   5.65560e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.25507e+02 0.000   1.94513e+00 180.000 1.0000 
1 1 1 0  16 14 o 12 2.64379e+02 2.38754e+01 2.24743e+02 180.000 -6.31040e+00 -0.00000e+00 0.00000e+00 0.00000e+00 2.11826e+02 180.000 1.29167e+01 0.000   1.0000 
1 1 1 0  16 15 f 0  1.22109e+02 3.25381e+01 7.75587e+01 180.000 -1.02413e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.91563e+01 180.000 1.59759e+00 180.000 0.7715 
1 1 1 0  16 16 o 17 3.13577e+02 2.50864e+01 1.30150e+02 180.000 -4.81499e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.95488e+02 180.000 2.65338e+02 180.000 0.9999 
1 1 1 0  16 19 o 16 7.67238e+01 4.39512e+01 4.69250e+01 180.000 -3.11600e-01 0.00000e+00  0.00000e+00 0.00000e+00 7.05187e+00 0.000   5.39769e+01 0.000   0.3019 
1 1 1 0  16 20 o 18 7.61172e+01 4.45315e+01 5.09251e+01 0.000   4.22434e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.87106e+00 0.000   4.90541e+01 180.000 0.3990 
1 1 1 0  16 21 o 5  5.25277e+01 3.58126e+01 6.29384e+00 180.000 -3.63855e-02 0.00000e+00  0.00000e+00 0.00000e+00 2.93812e+00 0.000   9.23195e+00 0.000   0.0364 
1 1 1 0  16 22 o 17 5.37299e+01 3.62046e+01 7.79320e+00 0.000   5.34519e-02  0.00000e+00  0.00000e+00 0.00000e+00 2.69831e+00 180.000 1.04915e+01 180.000 0.0534 
1 1 1 0  16 23 o 7  6.42543e+01 3.95192e+01 1.07758e+01 180.000 -1.17795e-01 -0.00000e+00 0.00000e+00 0.00000e+00 2.75506e+00 180.000 8.02077e+00 0.000   0.1173 
1 1 1 0  16 24 o 15 7.49542e+01 4.32216e+01 9.71082e+01 180.000 -1.20589e+00 -0.00000e+00 0.00000e+00 0.00000e+00 1.66959e+01 180.000 8.04122e+01 0.000   0.8354 
1 1 1 0  16 25 o 14 7.54090e+01 4.25233e+01 6.95041e+01 0.000   1.11496e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.23024e+01 0.000   2.72017e+01 180.000 0.8058 
1 1 1 0  16 26 o 17 6.29793e+01 3.89782e+01 6.28518e+00 180.000 -8.41750e-02 -0.00000e+00 0.00000e+00 0.00000e+00 3.57203e+00 180.000 2.71315e+00 0.000   0.0840 
1 1 1 0  16 27 o 5  9.05198e+01 4.76818e+01 8.85493e+01 180.000 -1.82502e+00 -0.00000e+00 0.00000e+00 0.00000e+00 7.37683e+01 180.000 1.47810e+01 0.000   0.9493 
1 1 1 0  16 28 o 2  7.46632e+01 4.47607e+01 2.62168e+01 180.000 -4.62066e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.55252e+01 180.000 9.30836e+00 180.000 0.4318 
1 1 1 0  16 30 o 5  7.64924e+01 4.77486e+01 1.05374e+01 180.000 -2.39295e-01 -0.00000e+00 0.00000e+00 0.00000e+00 2.48869e+01 180.000 1.43495e+01 180.000 0.2348 
1 1 1 0  16 31 o 15 5.21082e+01 3.65315e+01 2.31659e+01 0.000   5.66689e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.03606e+01 0.000   7.19470e+00 0.000   0.5129 
1 1 1 0  16 32 o 8  4.28678e+01 3.11664e+01 6.21718e+00 180.000 -1.54217e-01 -0.00000e+00 0.00000e+00 0.00000e+00 7.12873e+00 180.000 9.11553e-01 180.000 0.1530 
1 1 1 0  16 33 o 1  5.72778e+01 3.99525e+01 1.37305e+01 0.000   3.54274e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.65689e+01 0.000   1.28385e+01 0.000   0.3402 
1 1 1 0  16 34 o 1  5.64264e+01 4.00237e+01 3.62108e+01 180.000 -9.61631e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.22207e+01 180.000 1.60099e+01 180.000 0.7450 
1 1 1 0  16 35 f 0  4.45682e+01 3.27079e+01 9.47179e+00 180.000 -2.95914e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.79623e+01 180.000 8.49051e+00 180.000 0.2876 
1 1 1 0  16 36 o 13 5.03886e+01 3.66486e+01 2.02097e+01 0.000   6.08207e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.94008e+01 0.000   1.91911e+01 0.000   0.5429 
1 1 1 0  17 1  o 18 2.96792e+01 1.93922e+01 2.09924e+01 90.000  -3.70168e-09 4.23423e-02  0.00000e+00 0.00000e+00 1.89829e+01 270.000 3.99753e+01 270.000 0.0423 
1 1 1 0  17 2  o 16 2.38936e+02 2.10483e+01 2.47366e+02 90.000  -3.47297e-07 3.97262e+00  0.00000e+00 0.00000e+00 1.34945e+02 90.000  1.12421e+02 270.000 0.9993 
1 1 1 0  17 3  o 4  2.70279e+01 1.69031e+01 4.34757e+01 90.000  4.81769e-18  7.86788e-02  0.00000e+00 0.00000e+00 4.00734e+01 270.000 8.35491e+01 270.000 0.0785 
1 1 1 0  17 4  o 13 8.55637e+00 6.15012e+00 1.65363e+02 90.000  5.77957e-18  9.43876e-02  0.00000e+00 0.00000e+00 1.64070e+02 270.000 3.29433e+02 270.000 0.0941 
1 1 1 0  17 9  o 2  3.02419e+01 1.69118e+01 1.63599e+02 90.000  2.88825e-17  4.71688e-01  0.00000e+00 0.00000e+00 1.41897e+02 270.000 3.05495e+02 270.000 0.4396 
1 1 1 0  17 10 o 17 1.50267e+01 1.05718e+01 1.41708e+02 270.000 -1.00753e-17 -1.64542e-01 0.00000e+00 0.00000e+00 1.37688e+02 90.000  2.79397e+02 90.000  0.1631 
1 1 1 0  17 11 o 3  4.16450e+02 2.47536e+01 3.72279e+02 270.000 -8.71408e-16 -1.42312e+01 0.00000e+00 0.00000e+00 3.14502e+02 270.000 5.77771e+01 90.000  1.0000 
1 1 1 0  17 12 o 13 1.66848e+02 2.33827e+01 2.10903e+02 90.000  2.42323e-16  3.95744e+00  0.00000e+00 0.00000e+00 6.56502e+01 90.000  1.45253e+02 270.000 0.9993 
1 1 1 0  17 13 o 14 1.15158e+02 3.11859e+01 1.03487e+02 90.000  -1.05858e-07 1.21087e+00  0.00000e+00 0.00000e+00 5.73929e+01 90.000  4.60940e+01 270.000 0.8369 
1 1 1 0  17 14 o 19 4.80360e+02 2.77889e+01 2.92804e+02 270.000 1.39389e-06  -1.59442e+01 0.00000e+00 0.00000e+00 5.14498e+02 270.000 2.21695e+02 270.000 1.0000 
1 1 1 0  17 16 o 5  1.26414e+02 3.63139e+01 2.42754e+02 90.000  2.22550e-16  3.63452e+00  0.00000e+00 0.00000e+00 2.73611e+01 270.000 2.70115e+02 270.000 0.9986 
1 1 1 0  17 18 o 10 1.83563e+02 3.72958e+01 1.37090e+02 90.000  1.39687e-16  2.28127e+00  0.00000e+00 0.00000e+00 1.74949e+02 90.000  3.78597e+01 90.000  0.9793 
1 1 1 0  17 19 o 2  5.17015e+02 3.21284e+01 1.71712e+02 90.000  6.55774e-16  1.07096e+01  0.00000e+00 0.00000e+00 7.34110e+02 90.000  5.62398e+02 90.000  1.0000 
1 1 1 0  17 20 o 3  2.04959e+02 4.33056e+01 1.19198e+02 270.000 2.24056e-07  -2.56291e+00 0.00000e+00 0.00000e+00 2.39160e+02 270.000 1.19962e+02 270.000 0.9882 
1 1 1 0  17 21 o 9  7.66464e+01 4.46150e+01 5.08500e+01 270.000 4.07251e-08  -4.65841e-01 0.00000e+00 0.00000e+00 8.73208e+00 270.000 4.21179e+01 90.000  0.4348 
1 1 1 0  17 22 f 0  5.67805e+01 3.70329e+01 9.13817e+01 90.000  4.95101e-17  8.08562e-01  0.00000e+00 0.00000e+00 2.27534e+01 270.000 1.14135e+02 270.000 0.6688 
1 1 1 0  17 24 o 3  2.10079e+02 3.52533e+01 1.19044e+02 270.000 4.95332e-07  -5.66594e+00 0.00000e+00 0.00000e+00 2.69516e+02 270.000 1.50472e+02 270.000 1.0000 
1 1 1 0  17 25 o 17 7.31213e+01 4.24334e+01 1.11588e+02 90.000  -1.45012e-07 1.65875e+00  0.00000e+00 0.00000e+00 1.57633e+01 90.000  9.58244e+01 270.000 0.9300 
1 1 1 0  17 26 o 8  5.84926e+01 3.66147e+01 5.89712e+00 90.000  5.54527e-18  9.05611e-02  0.00000e+00 0.00000e+00 4.12353e+00 90.000  1.77359e+00 270.000 0.0903 
1 1 1 0  17 27 o 10 1.59549e+02 4.75010e+01 1.46380e+02 270.000 4.43850e-07  -5.07705e+00 0.00000e+00 0.00000e+00 1.60312e+02 270.000 1.39318e+01 270.000 0.9999 
1 1 1 0  17 28 o 14 7.01912e+01 4.30241e+01 5.34592e+01 90.000  6.67378e-17  1.08991e+00  0.00000e+00 0.00000e+00 5.55651e+01 90.000  2.10593e+00 90.000  0.7968 
1 1 1 0  17 30 o 13 5.55488e+01 3.82021e+01 5.81512e+01 270.000 -8.44910e-17 -1.37984e+00 0.00000e+00 0.00000e+00 4.00642e+01 270.000 1.80870e+01 90.000  0.8809 
1 1 1 0  17 31 o 1  4.54537e+01 3.27078e+01 7.59240e+01 90.000  1.13241e-16  1.84936e+00  0.00000e+00 0.00000e+00 1.22447e+01 90.000  6.36793e+01 270.000 0.9517 
1 1 1 0  17 32 o 15 5.25405e+01 3.72482e+01 4.31129e+01 270.000 9.41331e-08  -1.07676e+00 0.00000e+00 0.00000e+00 4.30592e+01 270.000 5.36783e-02 90.000  0.7920 
1 1 1 0  17 33 o 3  5.83528e+01 4.06829e+01 2.18836e+00 90.000  -5.00976e-09 5.73050e-02  0.00000e+00 0.00000e+00 4.84315e+00 90.000  2.65480e+00 90.000  0.0572 
1 1 1 0  17 34 o 2  4.72364e+01 3.43512e+01 3.05816e+01 90.000  5.40983e-17  8.83492e-01  0.00000e+00 0.00000e+00 4.10356e+01 90.000  1.04540e+01 90.000  0.7082 
1 1 1 0  17 35 o 16 3.94002e+01 2.91129e+01 2.86573e+01 270.000 8.28927e-08  -9.48182e-01 0.00000e+00 0.00000e+00 3.47710e+01 270.000 6.11365e+00 270.000 0.7390 
1 1 1 0  18 0  o 1  3.58209e+01 2.30842e+01 1.16385e+02 180.000 -1.58986e-01 -0.00000e+00 0.00000e+00 0.00000e+00 1.07181e+02 0.000   2.23567e+02 0.000   0.1577 
1 1 1 0  18 1  o 5  1.60254e+02 2.31369e+01 2.10159e+02 0.000   2.52102e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.77191e+01 0.000   1.62439e+02 180.000 0.9872 
1 1 1 0  18 2  o 10 6.65500e+01 2.78209e+01 2.13557e+02 0.000   1.04196e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.29021e+02 180.000 3.42578e+02 180.000 0.7787 
1 1 1 0  18 3  o 16 3.54722e+01 2.06321e+01 6.41177e+01 180.000 -1.68491e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.44466e+01 0.000   1.18564e+02 0.000   0.1669 
1 1 1 0  18 4  o 11 4.12101e+02 2.42267e+01 3.28146e+02 180.000 -9.77830e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.46171e+02 180.000 1.80243e+01 180.000 1.0000 
1 1 1 0  18 10 o 12 1.91398e+02 1.99249e+01 1.48449e+02 180.000 -3.28575e+00 -0.00000e+00 0.00000e+00 0.00000e+00 1.70544e+02 180.000 2.20947e+01 180.000 0.9972 
1 1 1 0  18 11 o 9  3.52946e+01 2.12552e+01 2.15837e+01 0.000   8.25748e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.66980e+01 180.000 3.82817e+01 180.000 0.0824 
1 1 1 0  18 13 o 16 1.73894e+02 2.55644e+01 1.61427e+02 180.000 -3.18382e+00 -0.00000e+00 0.00000e+00 0.00000e+00 1.33294e+02 180.000 2.81322e+01 0.000   0.9966 
1 1 1 0  18 14 o 2  3.21821e+01 2.20117e+01 1.55017e+01 0.000   7.01652e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.16416e+01 180.000 2.71434e+01 180.000 0.0701 
1 1 1 0  18 15 o 17 4.07219e+01 2.69702e+01 8.22864e+01 0.000   4.20405e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.43825e+01 180.000 1.36669e+02 180.000 0.3973 
1 1 1 0  18 16 o 15 3.38112e+02 2.72093e+01 3.00305e+02 180.000 -1.30963e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.87462e+02 180.000 1.28428e+01 0.000   1.0000 
1 1 1 0  18 17 o 10 1.88465e+02 3.34649e+01 2.33320e+02 0.000   4.07895e+00  0.00000e+00  0.00000e+00 0.00000e+00 9.68527e+01 0.000   1.36467e+02 180.000 0.9994 
1 1 1 0  18 19 o 14 2.78465e+02 3.09406e+01 1.74086e+02 180.000 -5.59054e+00 -0.00000e+00 0.00000e+00 0.00000e+00 3.22967e+02 180.000 1.48881e+02 180.000 1.0000 
1 1 1 0  18 20 o 12 5.19743e+02 3.27123e+01 1.84106e+02 180.000 -1.27718e+01 0.00000e+00  0.00000e+00 0.00000e+00 7.52817e+02 180.000 5.68711e+02 180.000 1.0000 
1 1 1 0  18 21 o 2  5.90316e+01 3.78700e+01 1.09021e+01 180.000 -1.00108e-01 -0.00000e+00 0.00000e+00 0.00000e+00 1.74295e-01 0.000   1.10764e+01 0.000   0.0998 
1 1 1 0  18 22 f 0  8.83859e+01 4.81302e+01 4.36819e+01 0.000   5.50981e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.78929e+01 0.000   5.78898e+00 180.000 0.5013 
1 1 1 0  18 23 o 10 9.36353e+01 4.45319e+01 3.48509e+01 180.000 -6.43898e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.41149e+01 180.000 2.92641e+01 180.000 0.5675 
1 1 1 0  18 24 o 5  1.54132e+02 4.26699e+01 1.13777e+02 0.000   3.64242e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.76282e+02 0.000   6.25048e+01 0.000   0.9986 
1 1 1 0  18 25 o 19 4.45283e+01 3.01525e+01 8.79649e+00 180.000 -1.16336e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.04259e+00 180.000 7.75390e+00 0.000   0.1158 
1 1 1 0  18 26 o 10 1.85868e+02 4.10108e+01 2.06928e+02 180.000 -1.02481e+01 -0.00000e+00 0.00000e+00 0.00000e+00 1.52281e+02 180.000 5.46474e+01 0.000   1.0000 
1 1 1 0  18 27 o 12 4.97092e+01 3.33021e+01 2.39613e+01 0.000   4.13792e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.41737e+01 0.000   9.78755e+00 180.000 0.3917 
1 1 1 0  18 28 o 13 3.54569e+01 2.56227e+01 4.18537e+01 0.000   7.20440e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.60583e+00 0.000   4.02478e+01 180.000 0.6172 
1 1 1 0  18 29 f 0  7.91321e+01 4.72491e+01 5.98334e+01 180.000 -1.44395e+00 -0.00000e+00 0.00000e+00 0.00000e+00 8.27737e+01 180.000 2.29403e+01 180.000 0.8945 
1 1 1 0  18 31 o 6  5.89261e+01 4.03680e+01 2.41116e+01 0.000   5.93322e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.10218e+01 0.000   1.69102e+01 0.000   0.5323 
1 1 1 0  18 32 o 18 6.35166e+01 4.31500e+01 5.30214e+00 180.000 -1.39008e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.32075e+01 180.000 7.90535e+00 180.000 0.1381 
1 1 1 0  18 33 o 13 4.97911e+01 3.57049e+01 3.76410e+00 180.000 -1.04048e-01 0.00000e+00  0.00000e+00 0.00000e+00 7.30713e+00 180.000 3.54303e+00 180.000 0.1037 
1 1 1 0  18 34 o 19 4.82295e+01 3.49219e+01 3.36783e+00 180.000 -1.00689e-01 0.00000e+00  0.00000e+00 0.00000e+00 7.18922e+00 180.000 3.82140e+00 180.000 0.1004 
1 1 1 0  18 35 o 6  4.98220e+01 3.60519e+01 2.21063e+01 0.000   6.67421e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.23947e+01 0.000   2.02884e+01 0.000   0.5833 
1 1 1 0  19 1  o 15 2.96439e+01 1.94306e+01 1.37034e+02 270.000 -2.38023e-17 -3.88721e-01 0.00000e+00 0.00000e+00 1.18785e+02 90.000  2.55819e+02 90.000  0.3703 
1 1 1 0  19 2  o 14 1.38723e+02 2.49671e+01 1.99901e+02 90.000  -2.26267e-07 2.58820e+00  0.00000e+00 0.00000e+00 2.83193e+01 90.000  1.71582e+02 270.000 0.9888 
1 1 1 0  19 3  o 2  1.66398e+02 2.19167e+01 7.18706e+01 90.000  6.84731e-17  1.11825e+00  0.00000e+00 0.00000e+00 1.51827e+02 90.000  7.99560e+01 90.000  0.8070 
1 1 1 0  19 4  o 1  1.22747e+02 2.34394e+01 2.97384e+02 270.000 -1.71137e-16 -2.79488e+00 0.00000e+00 0.00000e+00 9.40584e+01 90.000  3.91443e+02 90.000  0.9926 
1 1 1 0  19 10 o 5  1.64010e+02 1.95417e+01 9.57603e+01 270.000 -1.14047e-16 -1.86253e+00 0.00000e+00 0.00000e+00 1.70649e+02 270.000 7.48886e+01 270.000 0.9529 
1 1 1 0  19 11 o 8  3.37275e+01 2.01918e+01 7.13415e+01 90.000  -2.48242e-08 2.83956e-01  0.00000e+00 0.00000e+00 5.53568e+01 270.000 1.26698e+02 270.000 0.2766 
1 1 1 0  19 12 o 8  6.26192e+01 2.98947e+01 8.76042e+01 90.000  -5.56631e-08 6.36712e-01  0.00000e+00 0.00000e+00 2.68752e+01 270.000 1.14479e+02 270.000 0.5627 
1 1 1 0  19 13 o 12 3.70181e+01 2.38194e+01 6.95327e+01 90.000  2.16923e-17  3.54262e-01  0.00000e+00 0.00000e+00 4.76919e+01 270.000 1.17225e+02 270.000 0.3401 
1 1 1 0  19 14 o 13 3.71164e+01 2.50232e+01 5.00861e+01 90.000  -2.02983e-08 2.32185e-01  0.00000e+00 0.00000e+00 3.53007e+01 270.000 8.53868e+01 270.000 0.2281 
1 1 1 0  19 15 o 16 1.88504e+02 3.08155e+01 7.85083e+01 90.000  -1.62166e-07 1.85496e+00  0.00000e+00 0.00000e+00 2.37261e+02 90.000  1.58753e+02 90.000  0.9522 
1 1 1 0  19 16 o 16 7.42427e+01 4.00273e+01 5.71564e+01 270.000 3.61234e-08  -4.13203e-01 0.00000e+00 0.00000e+00 5.66292e+00 90.000  6.28193e+01 90.000  0.3912 
1 1 1 0  19 17 o 2  4.49888e+02 2.96117e+01 1.66444e+02 90.000  5.23653e-16  8.55190e+00  0.00000e+00 0.00000e+00 6.37879e+02 90.000  4.71435e+02 90.000  1.0000 
1 1 1 0  19 19 o 2  1.70808e+02 4.13172e+01 1.47216e+02 270.000 -1.91407e-16 -3.12591e+00 0.00000e+00 0.00000e+00 1.62559e+02 270.000 1.53423e+01 270.000 0.9962 
1 1 1 0  19 20 o 18 9.45740e+01 4.76933e+01 7.66061e+01 270.000 8.82767e-08  -1.00977e+00 0.00000e+00 0.00000e+00 5.65293e+01 270.000 2.00768e+01 90.000  0.7657 
1 1 1 0  19 21 o 17 8.28126e+01 4.54982e+01 8.78648e+01 90.000  -9.42056e-08 1.07759e+00  0.00000e+00 0.00000e+00 3.40229e+01 90.000  5.38419e+01 270.000 0.7923 
1 1 1 0  19 22 f 0  4.79826e+01 3.16925e+01 3.18554e+01 270.000 -2.26602e-17 -3.70069e-01 0.00000e+00 0.00000e+00 4.76892e-02 270.000 3.18077e+01 90.000  0.3541 
1 1 1 0  19 23 o 4  5.40902e+01 3.42392e+01 9.74563e+01 270.000 -7.73004e-17 -1.26241e+00 0.00000e+00 0.00000e+00 9.95206e+00 90.000  1.07408e+02 90.000  0.8517 
1 1 1 0  19 24 o 19 5.12617e+01 3.29365e+01 5.71891e+01 90.000  -7.17139e-08 8.20312e-01  0.00000e+00 0.00000e+00 9.33956e+00 90.000  4.78496e+01 270.000 0.6752 
1 1 1 0  19 25 o 6  7.48127e+01 4.12522e+01 4.04088e+01 270.000 -4.93042e-17 -8.05199e-01 0.00000e+00 0.00000e+00 5.66829e+01 270.000 1.62741e+01 270.000 0.6669 
1 1 1 0  19 26 o 8  9.65455e+01 4.69208e+01 7.13294e+01 270.000 1.35447e-07  -1.54934e+00 0.00000e+00 0.00000e+00 1.02544e+02 270.000 3.12149e+01 270.000 0.9137 
1 1 1 0  19 27 o 12 8.13306e+01 4.58902e+01 7.84793e+01 90.000  1.07824e-16  1.76089e+00  0.00000e+00 0.00000e+00 7.46635e+01 90.000  3.81583e+00 270.000 0.9426 
1 1 1 0  19 28 o 14 5.63437e+01 3.74449e+01 2.25200e+01 90.000  3.08988e-17  5.04616e-01  0.00000e+00 0.00000e+00 3.06328e+01 90.000  8.11285e+00 90.000  0.4657 
1 1 1 0  19 29 o 7  4.36702e+01 3.10462e+01 2.13360e+01 270.000 -3.23347e-17 -5.28066e-01 0.00000e+00 0.00000e+00 2.20872e+01 270.000 7.51155e-01 270.000 0.4839 
1 1 1 0  19 31 o 18 4.58672e+01 3.29021e+01 3.38195e+01 90.000  5.58764e-17  9.12531e-01  0.00000e+00 0.00000e+00 3.63535e+01 90.000  2.53399e+00 90.000  0.7223 
1 1 1 0  19 32 o 11 4.63533e+01 3.33299e+01 2.39452e+01 270.000 5.76750e-08  -6.59725e-01 0.00000e+00 0.00000e+00 3.37270e+01 270.000 9.78180e+00 270.000 0.5782 
1 1 1 0  19 33 o 16 6.93426e+01 4.66918e+01 2.53382e+01 90.000  4.04791e-17  6.61074e-01  0.00000e+00 0.00000e+00 6.24988e+01 90.000  3.71606e+01 90.000  0.5791 
1 1 1 0  19 34 o 9  4.22356e+01 3.10142e+01 3.59303e+01 270.000 1.01167e-07  -1.15722e+00 0.00000e+00 0.00000e+00 4.11316e+01 270.000 5.20126e+00 270.000 0.8201 
1 1 1 0  20 0  o 3  3.44273e+01 2.35658e+01 1.50238e+02 0.000   2.46980e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.36094e+02 180.000 2.86332e+02 180.000 0.2421 
1 1 1 0  20 1  o 17 7.90956e+01 3.61958e+01 9.48105e+01 180.000 -6.59829e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.71711e+01 0.000   1.11982e+02 0.000   0.5782 
1 1 1 0  20 2  o 18 2.31936e+02 2.24233e+01 2.10618e+02 180.000 -4.55112e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.83308e+02 180.000 2.73103e+01 0.000   0.9998 
1 1 1 0  20 3  o 16 4.44650e+01 2.46453e+01 9.04320e+01 180.000 -4.65790e-01 -0.00000e+00 0.00000e+00 0.00000e+00 5.75476e+01 0.000   1.47980e+02 0.000   0.4348 
1 1 1 0  20 4  o 1  2.31918e+01 1.54323e+01 5.21132e+01 180.000 -1.43620e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.64764e+01 0.000   9.85896e+01 0.000   0.1426 
1 1 1 0  20 5  o 11 1.57937e+01 1.07025e+01 2.25604e+01 180.000 -4.22524e-02 0.00000e+00  0.00000e+00 0.00000e+00 2.14214e+01 0.000   4.39817e+01 0.000   0.0422 
1 1 1 0  20 11 o 10 8.15692e+01 2.48415e+01 5.29643e+01 180.000 -5.98130e-01 -0.00000e+00 0.00000e+00 0.00000e+00 2.34929e+01 180.000 2.94714e+01 0.000   0.5357 
1 1 1 0  20 12 f 0  3.34169e+02 2.31411e+01 1.84241e+02 180.000 -7.95473e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.03846e+02 180.000 2.19605e+02 180.000 1.0000 
1 1 1 0  20 13 o 10 1.08835e+02 3.24152e+01 2.95581e+02 0.000   4.06454e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.02950e+02 180.000 3.98530e+02 180.000 0.9994 
1 1 1 0  20 14 o 19 5.00791e+01 3.00927e+01 1.07510e+01 180.000 -5.19257e-02 -0.00000e+00 0.00000e+00 0.00000e+00 6.11850e+00 0.000   1.68695e+01 0.000   0.0519 
1 1 1 0  20 15 o 7  1.43784e+02 3.88865e+01 3.17565e-01 0.000   5.38079e-03  0.00000e+00  0.00000e+00 0.00000e+00 1.07207e+00 0.000   7.54502e-01 0.000   0.0054 
1 1 1 0  20 16 o 18 1.15341e+02 4.43906e+01 1.67674e+02 0.000   1.97812e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.32823e+01 0.000   1.34392e+02 180.000 0.9624 
1 1 1 0  20 17 o 3  1.02854e+02 4.54760e+01 4.83232e+01 180.000 -5.21342e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.15584e+01 180.000 6.76477e+00 0.000   0.4787 
1 1 1 0  20 20 f 0  5.35938e+01 3.49212e+01 1.00085e+02 0.000   1.01173e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.29726e+01 180.000 1.23058e+02 180.000 0.7665 
1 1 1 0  20 21 o 3  3.67358e+01 2.55155e+01 4.57976e+01 0.000   4.45199e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.66762e+01 180.000 6.24738e+01 180.000 0.4179 
1 1 1 0  20 22 o 14 4.81775e+01 3.13738e+01 8.29159e+01 180.000 -1.00444e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.23916e+01 0.000   9.53076e+01 0.000   0.7635 
1 1 1 0  20 23 o 6  6.78295e+01 3.81822e+01 3.80378e+01 180.000 -6.58551e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.79134e+01 180.000 1.24434e-01 0.000   0.5774 
1 1 1 0  20 24 o 18 8.56986e+01 4.27349e+01 1.00806e+02 180.000 -2.23457e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.35592e+01 180.000 3.72468e+01 0.000   0.9773 
1 1 1 0  20 25 o 11 5.57463e+01 3.57675e+01 8.53049e+01 180.000 -1.35203e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.15554e+01 180.000 7.37495e+01 0.000   0.8745 
1 1 1 0  20 26 o 14 1.17039e+02 5.06149e+01 3.39223e+01 0.000   9.73350e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.42776e+02 0.000   1.08854e+02 0.000   0.7502 
1 1 1 0  20 27 o 4  7.38397e+01 4.37799e+01 6.65876e+01 0.000   1.55930e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.12605e+01 0.000   4.67295e+00 0.000   0.9153 
1 1 1 0  20 28 o 2  6.68801e+01 4.25062e+01 4.82684e+01 180.000 -1.18435e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.63683e+01 180.000 1.80999e+01 180.000 0.8288 
1 1 1 0  20 29 o 9  5.75773e+01 3.85366e+01 1.17776e+01 0.000   2.92881e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.26239e+01 0.000   1.08462e+01 0.000   0.2848 
1 1 1 0  20 31 o 1  6.22123e+01 4.21872e+01 2.38146e+01 0.000   6.17907e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.01339e+01 0.000   2.63193e+01 0.000   0.5497 
1 1 1 0  20 32 f 0  5.09902e+01 3.63616e+01 8.18821e+00 180.000 -2.30158e-01 -0.00000e+00 0.00000e+00 0.00000e+00 1.71509e+01 180.000 8.96265e+00 180.000 0.2262 
1 1 1 0  20 33 o 3  4.27564e+01 3.13269e+01 2.65344e+01 180.000 -8.36766e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.87918e+01 180.000 1.22574e+01 180.000 0.6841 
1 1 1 0  20 34 o 4  5.16871e+01 3.69848e+01 8.66321e+00 180.000 -2.54856e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.06271e+01 180.000 1.19638e+01 180.000 0.2495 
1 1 1 0  21 1  o 1  2.95642e+01 2.00569e+01 2.36345e+01 90.000  -7.43365e-09 8.50311e-02  0.00000e+00 0.00000e+00 1.92833e+01 270.000 4.29179e+01 270.000 0.0848 
1 1 1 0  21 2  o 19 3.71195e+01 2.28059e+01 9.24170e+01 270.000 3.58893e-08  -4.10526e-01 0.00000e+00 0.00000e+00 6.73503e+01 90.000  1.59767e+02 90.000  0.3889 
1 1 1 0  21 3  o 19 1.40844e+02 2.52543e+01 1.21961e+02 90.000  1.23461e-16  2.01626e+00  0.00000e+00 0.00000e+00 1.14371e+02 90.000  7.59014e+00 270.000 0.9652 
1 1 1 0  21 4  o 15 1.56912e+01 1.12878e+01 1.61097e+02 90.000  -2.70819e-08 3.09780e-01  0.00000e+00 0.00000e+00 1.52892e+02 270.000 3.13990e+02 270.000 0.3002 
1 1 1 0  21 5  o 12 1.00645e+02 2.48318e+01 3.62405e+01 90.000  -3.76812e-08 4.31023e-01  0.00000e+00 0.00000e+00 3.51174e+01 90.000  1.12306e+00 270.000 0.4062 
1 1 1 0  21 12 o 7  1.56544e+02 2.15531e+01 2.26960e+02 270.000 3.15862e-07  -3.61303e+00 0.00000e+00 0.00000e+00 5.42144e+01 270.000 1.72745e+02 90.000  0.9985 
1 1 1 0  21 13 o 11 9.93939e+01 3.31280e+01 1.27310e+02 270.000 -7.97044e-17 -1.30167e+00 0.00000e+00 0.00000e+00 2.78040e+01 270.000 9.95061e+01 90.000  0.8622 
1 1 1 0  21 14 o 19 1.91181e+02 2.72207e+01 6.91871e+01 90.000  -1.36244e-07 1.55845e+00  0.00000e+00 0.00000e+00 2.49680e+02 90.000  1.80493e+02 90.000  0.9152 
1 1 1 0  21 15 o 4  3.79322e+02 2.64160e+01 1.51517e+02 90.000  4.27634e-16  6.98380e+00  0.00000e+00 0.00000e+00 5.44864e+02 90.000  3.93347e+02 90.000  1.0000 
1 1 1 0  21 16 o 5  4.96127e+01 3.21899e+01 3.44319e+01 270.000 -1.44266e-17 -2.35603e-01 0.00000e+00 0.00000e+00 1.31958e+01 90.000  4.76277e+01 90.000  0.2313 
1 1 1 0  21 17 o 9  5.64276e+01 3.52806e+01 1.08001e+02 270.000 7.99851e-08  -9.14923e-01 0.00000e+00 0.00000e+00 3.18331e+01 90.000  1.39834e+02 90.000  0.7235 
1 1 1 0  21 18 o 2  1.70496e+02 4.03613e+01 1.63463e+02 90.000  2.92180e-16  4.77166e+00  0.00000e+00 0.00000e+00 1.57411e+02 90.000  6.05150e+00 270.000 0.9999 
1 1 1 0  21 21 o 13 3.84268e+01 2.66416e+01 1.02392e+02 90.000  6.51178e-17  1.06345e+00  0.00000e+00 0.00000e+00 4.37653e+01 270.000 1.46157e+02 270.000 0.7870 
1 1 1 0  21 22 f 0  9.34039e+01 4.22016e+01 9.50913e+01 270.000 -1.28632e-16 -2.10073e+00 0.00000e+00 0.00000e+00 8.25580e+01 270.000 1.25333e+01 90.000  0.9705 
1 1 1 0  21 23 o 7  3.95240e+01 2.72051e+01 6.84401e+01 90.000  5.94238e-17  9.70464e-01  0.00000e+00 0.00000e+00 9.76904e+00 270.000 7.82091e+01 270.000 0.7489 
1 1 1 0  21 24 o 13 8.00917e+01 4.26072e+01 6.24773e+01 90.000  7.57924e-17  1.23778e+00  0.00000e+00 0.00000e+00 7.32396e+01 90.000  1.07623e+01 90.000  0.8448 
1 1 1 0  21 25 o 17 1.00989e+02 4.73966e+01 7.23100e+01 270.000 -1.18787e-16 -1.93993e+00 0.00000e+00 0.00000e+00 1.24470e+02 270.000 5.21604e+01 270.000 0.9595 
1 1 1 0  21 26 o 14 4.69900e+01 3.20173e+01 1.95252e+01 270.000 3.58412e-08  -4.09975e-01 0.00000e+00 0.00000e+00 1.80219e+01 270.000 1.50335e+00 90.000  0.3885 
1 1 1 0  21 27 o 8  3.98789e+01 2.84612e+01 1.26931e+01 90.000  -2.61771e-08 2.99431e-01  0.00000e+00 0.00000e+00 1.14817e+01 90.000  1.21142e+00 270.000 0.2908 
1 1 1 0  21 28 o 6  5.14632e+01 3.53892e+01 6.58325e+00 270.000 -1.00178e-17 -1.63604e-01 0.00000e+00 0.00000e+00 1.10568e+01 270.000 4.47356e+00 270.000 0.1622 
1 1 1 0  21 29 o 16 5.68238e+01 3.83588e+01 8.28690e+00 90.000  -1.85538e-08 2.12231e-01  0.00000e+00 0.00000e+00 1.71926e+01 90.000  8.90569e+00 90.000  0.2091 
1 1 1 0  21 30 o 7  5.04457e+01 3.53983e+01 3.14348e+01 270.000 -5.30527e-17 -8.66417e-01 0.00000e+00 0.00000e+00 4.53734e+01 270.000 1.39386e+01 270.000 0.6995 
1 1 1 0  21 32 o 12 3.60681e+01 2.66378e+01 8.19288e+00 90.000  1.68774e-17  2.75628e-01  0.00000e+00 0.00000e+00 1.35835e+01 90.000  5.39060e+00 90.000  0.2689 
1 1 1 0  21 33 o 18 3.59320e+01 2.66147e+01 5.26522e+00 270.000 -1.14653e-17 -1.87243e-01 0.00000e+00 0.00000e+00 9.91638e+00 270.000 4.65116e+00 270.000 0.1851 
1 1 1 0  22 0  o 2  3.65860e+02 2.60434e+01 8.83569e+01 180.000 -2.04813e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.39731e+02 180.000 4.51374e+02 180.000 0.9673 
1 1 1 0  22 1  o 19 1.27544e+02 2.60776e+01 2.43495e+02 180.000 -3.78516e+00 -0.00000e+00 0.00000e+00 0.00000e+00 1.73030e+01 0.000   2.60798e+02 0.000   0.9990 
1 1 1 0  22 2  o 11 2.36365e+02 2.33671e+01 1.46830e+02 0.000   4.27538e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.72938e+02 0.000   1.26107e+02 0.000   0.9996 
1 1 1 0  22 3  o 9  6.37468e+01 2.81925e+01 8.52976e+01 0.000   7.63251e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.23851e+01 180.000 9.76827e+01 180.000 0.6430 
1 1 1 0  22 4  o 13 1.15950e+02 2.74585e+01 8.13389e+01 180.000 -1.31917e+00 0.00000e+00  0.00000e+00 0.00000e+00 9.77162e+01 180.000 1.63773e+01 180.000 0.8666 
1 1 1 0  22 12 o 17 2.20156e+02 2.01211e+01 1.69747e+02 0.000   5.00107e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.35403e+02 0.000   6.56559e+01 0.000   0.9999 
1 1 1 0  22 13 o 16 3.67010e+01 2.23518e+01 9.62402e+01 180.000 -4.45657e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.78053e+01 0.000   1.64045e+02 0.000   0.4183 
1 1 1 0  22 14 o 13 7.72933e+01 3.53144e+01 1.73280e+02 180.000 -1.54284e+00 -0.00000e+00 0.00000e+00 0.00000e+00 4.17452e+01 0.000   2.15025e+02 0.000   0.9126 
1 1 1 0  22 15 o 3  5.72678e+01 3.29647e+01 7.61046e+01 0.000   6.81539e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.23650e+01 180.000 8.84696e+01 180.000 0.5925 
1 1 1 0  22 16 o 17 4.68497e+01 3.01181e+01 3.56435e+01 0.000   2.88734e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.07229e+01 180.000 4.63664e+01 180.000 0.2810 
1 1 1 0  22 17 f 0  1.64984e+02 4.03205e+01 3.98765e+01 0.000   1.06085e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.07674e+02 0.000   1.67798e+02 0.000   0.7860 
1 1 1 0  22 18 f 0  4.12789e+01 2.84619e+01 5.47845e+01 0.000   4.77591e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.94617e+01 180.000 7.42462e+01 180.000 0.4443 
1 1 1 0  22 19 f 0  1.08403e+02 4.77575e+01 1.79619e+01 0.000   3.82688e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.89639e+01 0.000   4.10019e+01 0.000   0.3650 
1 1 1 0  22 21 f 0  5.20977e+01 3.26162e+01 1.13723e+02 180.000 -1.71236e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.68997e+01 0.000   1.30623e+02 0.000   0.9369 
1 1 1 0  22 22 o 18 5.17087e+01 3.25140e+01 7.18899e+00 180.000 -1.20001e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.19417e+00 180.000 1.99482e+00 0.000   0.1194 
1 1 1 0  22 23 o 16 5.53518e+01 3.47387e+01 2.46818e+01 0.000   3.98806e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.78562e+01 0.000   6.82566e+00 180.000 0.3789 
1 1 1 0  22 24 o 15 6.35500e+01 3.86374e+01 1.98165e+01 180.000 -4.19741e-01 -0.00000e+00 0.00000e+00 0.00000e+00 3.19238e+01 180.000 1.21073e+01 180.000 0.3967 
1 1 1 0  22 25 o 16 5.54073e+01 3.60467e+01 2.28730e+01 0.000   5.02823e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.05836e+01 0.000   7.71058e+00 0.000   0.4643 
1 1 1 0  22 26 o 9  9.40561e+01 4.88220e+01 1.40182e+01 180.000 -3.94226e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.02162e+01 180.000 4.61981e+01 180.000 0.3750 
1 1 1 0  22 27 o 18 4.33106e+01 3.05997e+01 4.43223e+01 180.000 -1.07071e+00 -0.00000e+00 0.00000e+00 0.00000e+00 2.86345e+01 180.000 1.56878e+01 0.000   0.7897 
1 1 1 0  22 28 o 3  5.79028e+01 3.86408e+01 2.74400e+01 180.000 -6.93110e-01 -0.00000e+00 0.00000e+00 0.00000e+00 4.76965e+01 180.000 2.02564e+01 180.000 0.6000 
1 1 1 0  22 29 o 1  4.67934e+01 3.30888e+01 1.88485e+01 0.000   5.37023e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.15349e+01 0.000   1.26864e+01 0.000   0.4907 
1 1 1 0  22 30 o 19 4.03675e+01 2.93624e+01 2.80898e+00 180.000 -8.23430e-02 0.00000e+00  0.00000e+00 0.00000e+00 4.57686e+00 180.000 1.76789e+00 180.000 0.0822 
1 1 1 0  22 32 o 11 4.50841e+01 3.27016e+01 3.14997e+01 180.000 -9.94743e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.71657e+01 180.000 1.56660e+01 180.000 0.7594 
1 1 1 0  23 1  o 15 4.19599e+01 2.67808e+01 1.47067e+01 270.000 -4.84371e-18 -7.91037e-02 0.00000e+00 0.00000e+00 8.68375e+00 90.000  2.33905e+01 90.000  0.0789 
1 1 1 0  23 2  o 10 7.56783e+01 3.67473e+01 7.97435e+01 90.000  4.39702e-17  7.18087e-01  0.00000e+00 0.00000e+00 5.05136e+00 90.000  7.46922e+01 270.000 0.6157 
1 1 1 0  23 3  o 16 3.40322e+01 2.24683e+01 1.10202e+02 270.000 4.26962e-08  -4.88388e-01 0.00000e+00 0.00000e+00 8.21166e+01 90.000  1.92319e+02 90.000  0.4529 
1 1 1 0  23 4  o 10 2.94207e+01 1.95153e+01 6.45582e+01 270.000 2.34487e-08  -2.68222e-01 0.00000e+00 0.00000e+00 5.04902e+01 90.000  1.15048e+02 90.000  0.2620 
1 1 1 0  23 5  f 0  8.31854e+01 2.93067e+01 1.86269e+02 90.000  -1.78434e-07 2.04105e+00  0.00000e+00 0.00000e+00 3.91383e+01 270.000 2.25407e+02 270.000 0.9668 
1 1 1 0  23 14 o 11 3.14633e+01 2.07914e+01 4.57027e+01 270.000 2.39415e-08  -2.73858e-01 0.00000e+00 0.00000e+00 2.96444e+01 90.000  7.53471e+01 90.000  0.2672 
1 1 1 0  23 15 o 13 4.90840e+01 2.99834e+01 3.43377e+01 270.000 -2.02774e-17 -3.31155e-01 0.00000e+00 0.00000e+00 4.15860e+00 90.000  3.84963e+01 90.000  0.3196 
1 1 1 0  23 16 o 7  5.30369e+01 3.24984e+01 7.17044e+01 90.000  -6.56095e-08 7.50485e-01  0.00000e+00 0.00000e+00 6.35182e+00 270.000 7.80562e+01 270.000 0.6354 
1 1 1 0  23 17 o 5  5.59559e+01 3.41573e+01 7.77199e+01 90.000  -9.05791e-08 1.03610e+00  0.00000e+00 0.00000e+00 7.22280e+00 90.000  7.04971e+01 270.000 0.7763 
1 1 1 0  23 18 o 10 5.14338e+01 3.33484e+01 8.31786e+01 270.000 9.43002e-08  -1.07867e+00 0.00000e+00 0.00000e+00 2.74836e+00 90.000  8.59269e+01 90.000  0.7927 
1 1 1 0  23 19 o 4  4.31601e+01 2.93104e+01 6.36177e+01 270.000 6.10733e-08  -6.98597e-01 0.00000e+00 0.00000e+00 1.17551e+01 90.000  7.53728e+01 90.000  0.6035 
1 1 1 0  23 21 o 7  6.92142e+01 3.86254e+01 2.83954e+01 270.000 -3.39810e-17 -5.54952e-01 0.00000e+00 0.00000e+00 4.25117e+01 270.000 1.41163e+01 270.000 0.5042 
1 1 1 0  23 22 o 16 5.23464e+01 3.30932e+01 9.32891e+00 270.000 1.51269e-08  -1.73032e-01 0.00000e+00 0.00000e+00 9.09114e+00 270.000 2.37771e-01 90.000  0.1713 
1 1 1 0  23 23 o 19 3.70517e+01 2.60234e+01 5.58423e+01 90.000  5.86719e-17  9.58185e-01  0.00000e+00 0.00000e+00 1.38182e+00 90.000  5.44604e+01 270.000 0.7435 
1 1 1 0  23 24 o 13 6.41708e+01 3.90809e+01 7.00010e+01 270.000 1.42047e-07  -1.62482e+00 0.00000e+00 0.00000e+00 5.48199e+01 270.000 1.51811e+01 90.000  0.9253 
1 1 1 0  23 26 o 13 3.65103e+01 2.61400e+01 2.05371e+01 90.000  3.01704e-17  4.92720e-01  0.00000e+00 0.00000e+00 1.53836e+01 90.000  5.15348e+00 270.000 0.4564 
1 1 1 0  23 27 o 2  4.31982e+01 3.04795e+01 3.16337e+00 90.000  -7.09236e-09 8.11271e-02  0.00000e+00 0.00000e+00 4.47664e+00 90.000  1.31327e+00 90.000  0.0809 
1 1 1 0  23 28 o 5  4.72700e+01 3.32786e+01 1.98443e+01 90.000  3.45519e-17  5.64275e-01  0.00000e+00 0.00000e+00 3.36818e+01 90.000  1.38376e+01 90.000  0.5111 
1 1 1 0  23 29 o 5  4.73492e+01 3.34749e+01 9.02161e+00 270.000 2.23510e-08  -2.55665e-01 0.00000e+00 0.00000e+00 1.76067e+01 270.000 8.58509e+00 270.000 0.2502 
1 1 1 0  23 30 o 11 4.38778e+01 3.16213e+01 1.15454e+01 270.000 -2.21062e-17 -3.61022e-01 0.00000e+00 0.00000e+00 2.30967e+01 270.000 1.15513e+01 270.000 0.3461 
1 1 1 0  23 31 o 13 4.72970e+01 3.39228e+01 4.19497e+01 90.000  7.76544e-17  1.26819e+00  0.00000e+00 0.00000e+00 5.15394e+01 90.000  9.58967e+00 90.000  0.8533 
1 1 1 0  24 1  f 0  7.58061e+01 3.52654e+01 8.62684e+01 180.000 -6.88997e-01 -0.00000e+00 0.00000e+00 0.00000e+00 1.83968e+00 0.000   8.81081e+01 0.000   0.5973 
1 1 1 0  24 2  o 10 6.16980e+01 3.59157e+01 1.93399e+02 0.000   1.24773e+00  0.00000e+00  0.00000e+00 0.00000e+00 9.58150e+01 180.000 2.89215e+02 180.000 0.8476 
1 1 1 0  24 3  o 18 4.27221e+01 2.66290e+01 2.34679e+01 0.000   1.10563e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.46789e+01 180.000 3.81469e+01 180.000 0.1101 
1 1 1 0  24 4  o 9  7.21241e+01 3.12914e+01 1.55054e+02 0.000   1.19148e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.28756e+01 180.000 1.97930e+02 180.000 0.8310 
1 1 1 0  24 5  o 6  5.78450e+01 2.68372e+01 1.52177e+01 0.000   1.16975e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.58263e+00 180.000 1.78004e+01 180.000 0.1164 
1 1 1 0  24 13 o 5  1.85174e+01 1.20963e+01 6.32017e+01 0.000   2.71362e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.36602e+01 180.000 1.16862e+02 180.000 0.2649 
1 1 1 0  24 14 o 12 4.70154e+01 2.53362e+01 4.36122e+01 180.000 -4.44963e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.14597e+00 0.000   4.87581e+01 0.000   0.4177 
1 1 1 0  24 15 f 0  7.50253e+01 3.40868e+01 6.32052e+01 180.000 -9.42003e-01 -0.00000e+00 0.00000e+00 0.00000e+00 4.57550e+01 180.000 1.74502e+01 0.000   0.7361 
1 1 1 0  24 16 o 15 5.31265e+01 3.15487e+01 9.15674e+00 180.000 -1.28044e-01 -0.00000e+00 0.00000e+00 0.00000e+00 4.29564e+00 180.000 4.86110e+00 0.000   0.1273 
1 1 1 0  24 17 o 3  4.65333e+01 3.05332e+01 5.84575e+01 180.000 -7.05418e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.75143e+00 0.000   6.02089e+01 0.000   0.6078 
1 1 1 0  24 18 o 5  5.98262e+01 3.56871e+01 4.67499e+00 180.000 -7.59151e-02 0.00000e+00  0.00000e+00 0.00000e+00 4.49414e+00 180.000 1.80845e-01 0.000   0.0758 
1 1 1 0  24 19 o 19 6.85794e+01 3.70239e+01 6.19062e+00 180.000 -1.22095e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.08205e+01 180.000 4.62989e+00 180.000 0.1215 
1 1 1 0  24 20 o 18 4.26403e+01 2.87611e+01 5.52126e+01 180.000 -7.53955e-01 0.00000e+00  0.00000e+00 0.00000e+00 8.36250e-01 180.000 5.43764e+01 0.000   0.6375 
1 1 1 0  24 21 o 13 4.48613e+01 3.00112e+01 9.91940e+00 0.000   1.69438e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.76649e+00 0.000   4.15292e+00 180.000 0.1678 
1 1 1 0  24 22 o 15 5.24227e+01 3.40724e+01 4.49568e+01 0.000   8.83224e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.32124e+01 0.000   1.17444e+01 180.000 0.7080 
1 1 1 0  24 23 o 13 5.37584e+01 3.49832e+01 1.07439e+01 180.000 -2.46950e-01 -0.00000e+00 0.00000e+00 0.00000e+00 1.69728e+01 180.000 6.22892e+00 180.000 0.2420 
1 1 1 0  24 24 o 6  6.54697e+01 3.93178e+01 2.25155e+01 180.000 -5.92995e-01 -0.00000e+00 0.00000e+00 0.00000e+00 5.25653e+01 180.000 3.00499e+01 180.000 0.5320 
1 1 1 0  24 25 o 2  2.89947e+01 2.12724e+01 4.53014e+01 180.000 -1.08030e+00 -0.00000e+00 0.00000e+00 0.00000e+00 4.89444e+00 180.000 4.04070e+01 0.000   0.7933 
1 1 1 0  24 26 o 11 3.88927e+01 2.77351e+01 1.78252e+01 180.000 -4.58376e-01 -0.00000e+00 0.00000e+00 0.00000e+00 1.90363e+01 180.000 1.21108e+00 180.000 0.4288 
1 1 1 0  24 27 f 0  5.10667e+01 3.50390e+01 4.44275e+00 0.000   1.25635e-01  0.00000e+00  0.00000e+00 0.00000e+00 9.85507e+00 0.000   5.41232e+00 0.000   0.1250 
1 1 1 0  24 28 f 0  5.87837e+01 3.94401e+01 3.92066e-01 0.000   1.06046e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.02391e+00 0.000   6.31839e-01 0.000   0.0106 
1 1 1 0  24 29 o 7  5.10068e+01 3.55991e+01 1.75210e+01 0.000   5.19702e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.86014e+01 0.000   2.10804e+01 0.000   0.4775 
1 1 1 0  24 30 o 2  3.22346e+01 2.39190e+01 6.61510e+00 0.000   2.37528e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.09641e+01 0.000   4.34899e+00 0.000   0.2332 
1 1 1 0  25 1  o 13 5.71860e+01 3.32176e+01 2.58121e+01 270.000 1.49076e-08  -1.70524e-01 0.00000e+00 0.00000e+00 7.32766e+00 90.000  3.31397e+01 90.000  0.1689 
1 1 1 0  25 2  o 9  3.16184e+01 2.20918e+01 1.18721e+02 270.000 -3.00024e-17 -4.89977e-01 0.00000e+00 0.00000e+00 9.12151e+01 90.000  2.09936e+02 90.000  0.4542 
1 1 1 0  25 3  o 10 3.11951e+01 2.17412e+01 8.63523e+01 90.000  2.14705e-17  3.50639e-01  0.00000e+00 0.00000e+00 6.61951e+01 270.000 1.52547e+02 270.000 0.3369 
1 1 1 0  25 4  o 9  4.97427e+01 2.83551e+01 1.49701e+01 90.000  5.66358e-18  9.24932e-02  0.00000e+00 0.00000e+00 6.15641e+00 270.000 2.11265e+01 270.000 0.0922 
1 1 1 0  25 5  f 0  2.41087e+01 1.68406e+01 1.24000e+02 270.000 3.49397e-08  -3.99663e-01 0.00000e+00 0.00000e+00 1.06376e+02 90.000  2.30376e+02 90.000  0.3797 
1 1 1 0  25 6  o 6  4.54933e+01 3.24637e+01 3.36742e+01 270.000 1.61371e-08  -1.84587e-01 0.00000e+00 0.00000e+00 1.76417e+01 90.000  5.13159e+01 90.000  0.1825 
1 1 1 0  25 7  o 3  1.13621e+02 5.58023e+01 3.15664e+02 90.000  2.42384e-16  3.95843e+00  0.00000e+00 0.00000e+00 9.57206e+01 270.000 4.11384e+02 270.000 0.9993 
1 1 1 0  25 14 o 7  7.23065e+01 2.54021e+01 2.02177e+01 270.000 3.47983e-08  -3.98047e-01 0.00000e+00 0.00000e+00 3.47686e+01 270.000 1.45509e+01 270.000 0.3783 
1 1 1 0  25 15 o 9  1.62633e+01 1.18202e+01 7.47021e+01 90.000  2.46815e-17  4.03079e-01  0.00000e+00 0.00000e+00 6.21019e+01 270.000 1.36804e+02 270.000 0.3826 
1 1 1 0  25 16 o 14 5.77948e+01 3.26133e+01 9.79378e+01 90.000  -1.44014e-07 1.64733e+00  0.00000e+00 0.00000e+00 1.15853e+01 90.000  8.63525e+01 270.000 0.9285 
1 1 1 0  25 17 o 17 9.69987e+01 3.90024e+01 5.03119e+01 270.000 1.09278e-07  -1.24999e+00 0.00000e+00 0.00000e+00 1.19028e+02 270.000 6.87163e+01 270.000 0.8483 
1 1 1 0  25 18 o 19 2.84970e+01 2.03959e+01 7.00332e+00 270.000 7.25787e-09  -8.30203e-02 0.00000e+00 0.00000e+00 2.10244e+00 90.000  9.10576e+00 90.000  0.0828 
1 1 1 0  25 19 o 6  3.21028e+01 2.24281e+01 1.22693e+01 270.000 1.30007e-08  -1.48710e-01 0.00000e+00 0.00000e+00 2.33732e+00 90.000  1.46067e+01 90.000  0.1476 
1 1 1 0  25 20 o 11 3.91372e+01 2.61256e+01 1.24418e+01 270.000 1.90461e-08  -2.17862e-01 0.00000e+00 0.00000e+00 5.32401e+00 270.000 7.11780e+00 90.000  0.2145 
1 1 1 0  25 22 o 16 3.32756e+01 2.37617e+01 1.61581e+01 270.000 -2.00901e-17 -3.28096e-01 0.00000e+00 0.00000e+00 6.63127e+00 270.000 9.52685e+00 90.000  0.3168 
1 1 1 0  25 23 o 16 5.24967e+01 3.42860e+01 5.15761e+00 270.000 -7.90078e-18 -1.29030e-01 0.00000e+00 0.00000e+00 9.57088e+00 270.000 4.41327e+00 270.000 0.1283 
1 1 1 0  25 24 o 2  3.25284e+01 2.36512e+01 6.38498e+00 270.000 1.36062e-08  -1.55637e-01 0.00000e+00 0.00000e+00 4.72654e+00 270.000 1.65845e+00 90.000  0.1544 
1 1 1 0  25 25 o 12 4.41766e+01 3.07161e+01 8.42187e+00 90.000  -1.89939e-08 2.17265e-01  0.00000e+00 0.00000e+00 1.27459e+01 90.000  4.32401e+00 90.000  0.2139 
1 1 1 0  25 26 o 15 6.00205e+01 3.90645e+01 7.28522e-01 90.000  1.24111e-18  2.02688e-02  0.00000e+00 0.00000e+00 2.03145e+00 90.000  1.30293e+00 90.000  0.0203 
1 1 1 0  25 27 o 11 3.65912e+01 2.64947e+01 1.01403e+01 90.000  -2.68287e-08 3.06884e-01  0.00000e+00 0.00000e+00 1.49007e+01 90.000  4.76038e+00 90.000  0.2976 
1 1 1 0  25 28 o 14 4.08296e+01 2.93721e+01 4.29505e+00 270.000 1.21470e-08  -1.38945e-01 0.00000e+00 0.00000e+00 8.84817e+00 270.000 4.55312e+00 270.000 0.1381 
1 1 1 0  25 29 o 18 5.43675e+01 3.73475e+01 2.17934e+00 90.000  -5.46174e-09 6.24750e-02  0.00000e+00 0.00000e+00 5.84464e+00 90.000  3.66530e+00 90.000  0.0624 
1 1 1 0  26 0  o 12 1.10488e+02 4.96225e+01 9.71214e+01 0.000   7.41765e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.97812e+01 0.000   5.73402e+01 180.000 0.6302 
1 1 1 0  26 1  o 17 7.75780e+01 4.37290e+01 2.51413e+02 0.000   2.46620e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.01030e+02 180.000 3.52443e+02 180.000 0.9857 
1 1 1 0  26 2  o 17 2.68041e+01 1.93455e+01 1.08685e+02 180.000 -5.29799e-01 0.00000e+00  0.00000e+00 0.00000e+00 8.30880e+01 0.000   1.91773e+02 0.000   0.4852 
1 1 1 0  26 3  o 4  2.79957e+01 2.01266e+01 1.67221e+02 180.000 -8.43163e-01 -0.00000e+00 0.00000e+00 0.00000e+00 1.29293e+02 0.000   2.96514e+02 0.000   0.6875 
1 1 1 0  26 4  o 13 2.81280e+01 1.97663e+01 4.60684e+01 0.000   2.32626e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.33795e+01 180.000 7.94479e+01 180.000 0.2285 
1 1 1 0  26 5  o 9  2.72481e+01 1.88845e+01 4.32868e+01 180.000 -2.35209e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.08350e+01 0.000   7.41218e+01 0.000   0.2310 
1 1 1 0  26 6  o 9  8.50168e+01 2.37646e+01 1.45633e+02 0.000   2.35135e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.00131e+01 0.000   1.25619e+02 180.000 0.9820 
1 1 1 0  26 7  o 14 4.89285e+01 3.25402e+01 1.07902e+02 0.000   1.03346e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.23914e+01 180.000 1.40293e+02 180.000 0.7753 
1 1 1 0  26 8  o 4  3.73460e+01 2.65251e+01 7.72936e+01 180.000 -5.62940e-01 -0.00000e+00 0.00000e+00 0.00000e+00 3.92249e+01 0.000   1.16518e+02 0.000   0.5102 
1 1 1 0  26 15 o 14 4.16334e+01 2.25095e+01 6.24528e+01 0.000   9.18801e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.86434e-01 0.000   6.20663e+01 180.000 0.7253 
1 1 1 0  26 16 o 17 7.24026e+01 3.26690e+01 3.79052e+01 180.000 -8.97867e-01 0.00000e+00  0.00000e+00 0.00000e+00 7.07037e+01 180.000 3.27985e+01 180.000 0.7153 
1 1 1 0  26 17 o 8  2.76692e+01 1.93266e+01 6.74590e+01 180.000 -7.13651e-01 -0.00000e+00 0.00000e+00 0.00000e+00 3.15923e+01 0.000   9.90514e+01 0.000   0.6130 
1 1 1 0  26 18 o 10 5.01003e+01 2.88644e+01 6.86498e+00 0.000   1.35681e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.54961e+00 0.000   6.84631e-01 0.000   0.1349 
1 1 1 0  26 19 o 8  6.84117e+01 3.42247e+01 5.66217e+01 180.000 -1.45237e+00 -0.00000e+00 0.00000e+00 0.00000e+00 7.54057e+01 180.000 1.87840e+01 180.000 0.8962 
1 1 1 0  26 20 o 14 4.12137e+01 2.73223e+01 2.54745e+01 180.000 -5.44828e-01 -0.00000e+00 0.00000e+00 0.00000e+00 1.90395e+01 180.000 6.43500e+00 0.000   0.4966 
1 1 1 0  26 21 o 14 4.02337e+01 2.71917e+01 4.29621e+01 0.000   9.81870e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.36875e+01 0.000   1.92746e+01 180.000 0.7539 
1 1 1 0  26 22 o 9  3.74654e+01 2.60709e+01 8.46491e+00 0.000   2.15181e-01  0.00000e+00  0.00000e+00 0.00000e+00 9.17191e+00 0.000   7.07006e-01 0.000   0.2119 
1 1 1 0  26 23 o 13 4.77907e+01 3.24222e+01 1.74438e+01 180.000 -4.51515e-01 -0.00000e+00 0.00000e+00 0.00000e+00 2.79899e+01 180.000 1.05461e+01 180.000 0.4231 
1 1 1 0  26 24 o 11 4.69384e+01 3.22133e+01 3.09984e+01 180.000 -8.14471e-01 -0.00000e+00 0.00000e+00 0.00000e+00 4.07188e+01 180.000 9.72031e+00 180.000 0.6720 
1 1 1 0  26 25 o 15 6.03504e+01 3.89662e+01 7.24642e+00 180.000 -2.01595e-01 -0.00000e+00 0.00000e+00 0.00000e+00 2.03843e+01 180.000 1.31379e+01 180.000 0.1989 
1 1 1 0  26 26 o 9  4.28907e+01 3.01768e+01 2.75289e+01 0.000   8.09094e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.93816e+01 0.000   1.18527e+01 0.000   0.6691 
1 1 1 0  26 27 o 14 3.99135e+01 2.86007e+01 9.55481e+00 180.000 -3.12626e-01 -0.00000e+00 0.00000e+00 0.00000e+00 1.90054e+01 180.000 9.45057e+00 180.000 0.3028 
1 1 1 0  26 28 o 17 5.41952e+01 3.71391e+01 3.61708e+00 180.000 -1.04522e-01 0.00000e+00  0.00000e+00 0.00000e+00 9.90565e+00 180.000 6.28856e+00 180.000 0.1041 
1 1 1 0  26 29 o 19 3.60490e+01 2.64368e+01 3.37455e+00 0.000   1.16997e-01  0.00000e+00  0.00000e+00 0.00000e+00 6.83038e+00 0.000   3.45583e+00 0.000   0.1165 
1 1 1 0  27 1  o 8  2.52357e+01 1.87079e+01 5.56231e+00 270.000 2.60235e-09  -2.97675e-02 0.00000e+00 0.00000e+00 4.04309e+00 90.000  9.60540e+00 90.000  0.0298 
1 1 1 0  27 2  o 1  5.53338e+01 3.33039e+01 1.15570e+02 90.000  7.12646e-17  1.16384e+00  0.00000e+00 0.00000e+00 2.34543e+01 270.000 1.39025e+02 270.000 0.8223 
1 1 1 0  27 3  o 15 3.63867e+01 2.50284e+01 5.50675e+01 90.000  -3.48656e-08 3.98815e-01  0.00000e+00 0.00000e+00 2.71179e+01 270.000 8.21854e+01 270.000 0.3789 
1 1 1 0  27 4  o 8  2.86066e+01 2.02676e+01 3.84668e+01 270.000 -1.39489e-17 -2.27803e-01 0.00000e+00 0.00000e+00 2.54579e+01 90.000  6.39247e+01 90.000  0.2239 
1 1 1 0  27 5  o 4  2.31831e+01 1.67150e+01 4.86877e+01 90.000  1.67172e-17  2.73012e-01  0.00000e+00 0.00000e+00 3.61167e+01 270.000 8.48045e+01 270.000 0.2664 
1 1 1 0  27 6  o 16 2.00964e+01 1.39073e+01 1.09028e+01 270.000 -3.28855e-18 -5.37061e-02 0.00000e+00 0.00000e+00 8.70210e+00 90.000  1.96049e+01 90.000  0.0537 
1 1 1 0  27 7  o 2  6.93337e+01 3.97346e+01 4.46243e-01 90.000  3.53238e-19  5.76882e-03  0.00000e+00 0.00000e+00 3.72743e-01 90.000  7.34994e-02 270.000 0.0058 
1 1 1 0  27 8  o 17 4.32743e+01 2.95344e+01 8.48541e+01 270.000 8.40429e-08  -9.61339e-01 0.00000e+00 0.00000e+00 1.86011e+01 90.000  1.03455e+02 90.000  0.7449 
1 1 1 0  27 9  o 7  8.38197e+01 4.30031e+01 3.78539e+01 270.000 6.00619e-08  -6.87028e-01 0.00000e+00 0.00000e+00 6.52790e+01 270.000 2.74250e+01 270.000 0.5961 
1 1 1 0  27 10 f 0  5.77082e+01 3.66009e+01 3.54721e+01 90.000  2.99830e-17  4.89660e-01  0.00000e+00 0.00000e+00 1.88626e+01 90.000  1.66095e+01 270.000 0.4539 
1 1 1 0  27 15 o 12 5.56643e+01 2.36363e+01 5.65544e+01 270.000 -6.91768e-17 -1.12974e+00 0.00000e+00 0.00000e+00 4.00699e+01 270.000 1.64845e+01 90.000  0.8109 
1 1 1 0  27 16 o 5  7.41076e+01 2.87096e+01 4.32570e+01 270.000 -7.82574e-17 -1.27804e+00 0.00000e+00 0.00000e+00 9.35908e+01 270.000 5.03337e+01 270.000 0.8560 
1 1 1 0  27 17 o 10 4.37121e+01 2.61598e+01 2.12923e+01 90.000  -3.65531e-08 4.18119e-01  0.00000e+00 0.00000e+00 1.63011e+01 90.000  4.99112e+00 270.000 0.3953 
1 1 1 0  27 18 o 12 3.69450e+01 2.40619e+01 1.02774e+02 90.000  -1.73294e-07 1.98226e+00  0.00000e+00 0.00000e+00 2.47127e+01 270.000 1.27487e+02 270.000 0.9628 
1 1 1 0  27 19 o 12 4.50425e+01 2.80891e+01 8.29049e+01 90.000  1.21929e-16  1.99126e+00  0.00000e+00 0.00000e+00 1.32233e+01 90.000  6.96816e+01 270.000 0.9634 
1 1 1 0  27 20 o 4  4.94844e+01 3.02868e+01 1.89449e+01 270.000 4.51295e-08  -5.16221e-01 0.00000e+00 0.00000e+00 3.36144e+01 270.000 1.46696e+01 270.000 0.4748 
1 1 1 0  27 21 o 8  4.91481e+01 3.12293e+01 5.12516e+01 270.000 1.19101e-07  -1.36235e+00 0.00000e+00 0.00000e+00 4.61703e+01 270.000 5.08133e+00 90.000  0.8769 
1 1 1 0  27 23 o 2  4.47633e+01 3.02444e+01 2.97713e+01 90.000  -7.45962e-08 8.53281e-01  0.00000e+00 0.00000e+00 4.18985e+01 90.000  1.21271e+01 90.000  0.6928 
1 1 1 0  27 24 f 0  3.81089e+01 2.69080e+01 1.41916e+01 270.000 -2.58146e-17 -4.21584e-01 0.00000e+00 0.00000e+00 2.13031e+01 270.000 7.11146e+00 270.000 0.3983 
1 1 1 0  27 25 o 11 4.29039e+01 3.01919e+01 1.81330e+01 90.000  -4.86333e-08 5.56300e-01  0.00000e+00 0.00000e+00 3.31904e+01 90.000  1.50574e+01 90.000  0.5052 
1 1 1 0  27 26 o 14 3.55465e+01 2.58797e+01 1.23868e+01 90.000  -3.65231e-08 4.17775e-01  0.00000e+00 0.00000e+00 2.12931e+01 90.000  8.90631e+00 90.000  0.3951 
1 1 1 0  27 27 o 11 4.74670e+01 3.30606e+01 1.48841e+01 270.000 -2.79289e-17 -4.56113e-01 0.00000e+00 0.00000e+00 3.43711e+01 270.000 1.94870e+01 270.000 0.4269 
1 1 1 0  28 0  o 18 4.27216e+01 2.91060e+01 6.83377e+01 180.000 -4.39121e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.15987e+01 0.000   9.99365e+01 0.000   0.4129 
1 1 1 0  28 1  o 7  5.00485e+01 3.08218e+01 3.45126e+01 0.000   4.45787e-01  0.00000e+00  0.00000e+00 0.00000e+00 9.11304e+00 0.000   2.53995e+01 180.000 0.4184 
1 1 1 0  28 2  o 17 3.23484e+01 2.25684e+01 4.27956e+01 0.000   4.04509e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.69126e+01 180.000 5.97082e+01 180.000 0.3838 
1 1 1 0  28 3  o 17 4.32683e+01 2.81653e+01 1.40973e+01 0.000   1.63544e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.43402e-01 0.000   1.35539e+01 180.000 0.1621 
1 1 1 0  28 4  o 9  2.62652e+01 1.88192e+01 3.89904e+01 0.000   3.36764e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.11632e+01 180.000 6.01536e+01 180.000 0.3246 
1 1 1 0  28 5  o 7  3.75897e+01 2.43734e+01 3.48025e+01 0.000   3.95237e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.19111e+00 180.000 3.99936e+01 180.000 0.3759 
1 1 1 0  28 6  o 7  4.83195e+01 2.53922e+01 3.49507e+01 0.000   4.92277e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.13587e+01 0.000   2.35919e+01 180.000 0.4560 
1 1 1 0  28 7  o 8  4.68701e+01 3.18002e+01 5.92479e+01 180.000 -7.22555e-01 -0.00000e+00 0.00000e+00 0.00000e+00 1.87625e+00 180.000 5.73717e+01 0.000   0.6185 
1 1 1 0  28 8  o 6  7.38849e+01 4.15473e+01 8.91802e-02 180.000 -1.39857e-03 -0.00000e+00 0.00000e+00 0.00000e+00 1.29529e-01 180.000 4.03485e-02 180.000 0.0014 
1 1 1 0  28 9  o 10 3.81005e+01 2.70451e+01 9.93167e+01 180.000 -1.24034e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.08372e+01 0.000   1.30154e+02 0.000   0.8456 
1 1 1 0  28 10 o 8  5.10058e+01 3.39792e+01 3.12571e+01 0.000   4.58739e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.54845e+01 0.000   1.57726e+01 180.000 0.4291 
1 1 1 0  28 11 o 15 4.28084e+01 3.00304e+01 1.95438e+02 0.000   2.84247e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.04143e+02 180.000 2.99580e+02 180.000 0.9932 
1 1 1 0  28 13 o 8  4.56626e+01 3.17895e+01 7.29356e+01 180.000 -1.01957e+00 -0.00000e+00 0.00000e+00 0.00000e+00 3.44872e+00 180.000 6.94869e+01 0.000   0.7697 
1 1 1 0  28 16 o 2  3.33870e+01 1.96526e+01 4.09082e+01 180.000 -8.08446e-01 -0.00000e+00 0.00000e+00 0.00000e+00 8.69209e+00 180.000 3.22161e+01 0.000   0.6687 
1 1 1 0  28 17 o 14 2.89143e+01 1.92310e+01 3.24173e+01 0.000   6.70220e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.48202e+00 0.000   2.69352e+01 180.000 0.5851 
1 1 1 0  28 18 o 13 3.15710e+01 2.09510e+01 1.59479e+01 0.000   3.53943e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.30157e+00 0.000   7.64630e+00 180.000 0.3399 
1 1 1 0  28 19 o 14 2.55757e+01 1.80719e+01 1.93760e+01 0.000   4.61740e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.79874e+00 0.000   1.35773e+01 180.000 0.4315 
1 1 1 0  28 20 o 2  3.82526e+01 2.53541e+01 1.69795e+00 180.000 -4.53910e-02 -0.00000e+00 0.00000e+00 0.00000e+00 2.29927e+00 180.000 6.01327e-01 180.000 0.0454 
1 1 1 0  28 21 o 6  3.72290e+01 2.53065e+01 2.45373e+01 180.000 -6.63857e-01 -0.00000e+00 0.00000e+00 0.00000e+00 2.58032e+01 180.000 1.26583e+00 180.000 0.5809 
1 1 1 0  28 22 o 3  2.55013e+01 1.85838e+01 2.24958e+01 0.000   7.03891e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.39172e+01 0.000   8.57862e+00 180.000 0.6068 
1 1 1 0  28 23 o 5  4.05873e+01 2.76741e+01 1.27777e+01 180.000 -3.84184e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.26075e+01 180.000 9.82977e+00 180.000 0.3663 
1 1 1 0  28 24 f 0  4.15817e+01 2.88328e+01 2.73603e+00 180.000 -8.63542e-02 0.00000e+00  0.00000e+00 0.00000e+00 5.88997e+00 180.000 3.15394e+00 180.000 0.0861 
1 1 1 0  28 25 o 14 3.51670e+01 2.52590e+01 8.74328e+00 180.000 -2.98254e-01 -0.00000e+00 0.00000e+00 0.00000e+00 1.60979e+01 180.000 7.35462e+00 180.000 0.2897 
1 1 1 0  28 26 o 17 3.52730e+01 2.55200e+01 2.09499e+01 180.000 -7.22708e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.29384e+01 180.000 1.19885e+01 180.000 0.6186 
1 1 1 0  29 1  o 11 4.29435e+01 2.75345e+01 8.42621e+01 90.000  6.04745e-17  9.87623e-01  0.00000e+00 0.00000e+00 1.45120e+01 270.000 9.87741e+01 270.000 0.7563 
1 1 1 0  29 2  o 5  3.10363e+01 2.15847e+01 1.45329e+01 270.000 -8.22979e-18 -1.34403e-01 0.00000e+00 0.00000e+00 5.62179e+00 90.000  2.01546e+01 90.000  0.1336 
1 1 1 0  29 3  o 3  2.39239e+01 1.73243e+01 8.61840e+01 270.000 -4.93922e-17 -8.06636e-01 0.00000e+00 0.00000e+00 5.18096e+01 90.000  1.37994e+02 90.000  0.6677 
1 1 1 0  29 4  o 9  5.20877e+01 3.01689e+01 1.86803e+00 90.000  -2.63838e-09 3.01796e-02  0.00000e+00 0.00000e+00 1.51952e+00 90.000  3.48505e-01 270.000 0.0302 
1 1 1 0  29 5  o 14 1.87902e+01 1.38155e+01 3.95854e+00 270.000 2.64130e-09  -3.02130e-02 0.00000e+00 0.00000e+00 2.73238e+00 90.000  6.69092e+00 90.000  0.0302 
1 1 1 0  29 6  o 14 1.81393e+01 1.30022e+01 2.85276e+01 90.000  -1.88734e-08 2.15887e-01  0.00000e+00 0.00000e+00 2.01729e+01 270.000 4.87004e+01 270.000 0.2126 
1 1 1 0  29 7  o 12 5.06864e+01 3.36353e+01 4.67241e-01 90.000  -6.53073e-10 7.47029e-03  0.00000e+00 0.00000e+00 3.55766e-01 90.000  1.11476e-01 270.000 0.0075 
1 1 1 0  29 8  o 17 4.62450e+01 3.15876e+01 1.73024e+01 90.000  -2.29617e-08 2.62651e-01  0.00000e+00 0.00000e+00 8.60596e+00 90.000  8.69646e+00 270.000 0.2568 
1 1 1 0  29 9  o 14 4.58405e+01 3.15917e+01 1.99457e+01 90.000  -2.69039e-08 3.07744e-01  0.00000e+00 0.00000e+00 1.00261e+01 90.000  9.91959e+00 270.000 0.2984 
1 1 1 0  29 10 o 3  4.91093e+01 3.35839e+01 1.31211e+01 270.000 -1.16862e-17 -1.90849e-01 0.00000e+00 0.00000e+00 7.26788e+00 270.000 5.85318e+00 90.000  0.1886 
1 1 1 0  29 11 o 6  7.44509e+01 4.39520e+01 4.51400e+01 270.000 7.06138e-08  -8.07728e-01 0.00000e+00 0.00000e+00 6.49967e+01 270.000 1.98567e+01 270.000 0.6683 
1 1 1 0  29 13 o 15 4.72496e+01 3.30303e+01 2.78505e+00 270.000 4.47366e-09  -5.11727e-02 0.00000e+00 0.00000e+00 2.62726e+00 270.000 1.57796e-01 90.000  0.0511 
1 1 1 0  29 14 o 9  5.15432e+01 3.58262e+01 2.68448e+01 270.000 4.49002e-08  -5.13599e-01 0.00000e+00 0.00000e+00 2.81194e+01 270.000 1.27456e+00 270.000 0.4727 
1 1 1 0  29 15 o 17 5.45629e+01 3.74109e+01 8.61934e+01 90.000  -1.60503e-07 1.83594e+00  0.00000e+00 0.00000e+00 3.16388e+01 90.000  5.45546e+01 270.000 0.9504 
1 1 1 0  29 16 o 14 5.15482e+01 3.62619e+01 6.28731e+01 90.000  -1.17153e-07 1.34007e+00  0.00000e+00 0.00000e+00 4.00302e+01 90.000  2.28429e+01 270.000 0.8717 
1 1 1 0  29 17 o 9  3.99525e+01 2.26433e+01 6.53219e+01 90.000  1.24718e-16  2.03680e+00  0.00000e+00 0.00000e+00 2.38504e+01 90.000  4.14715e+01 270.000 0.9665 
1 1 1 0  29 18 f 0  3.01279e+01 2.00452e+01 8.83258e-01 270.000 -1.42144e-18 -2.32139e-02 0.00000e+00 0.00000e+00 7.45814e-01 270.000 1.37445e-01 90.000  0.0232 
1 1 1 0  29 19 o 7  2.85579e+01 1.95185e+01 5.11024e+01 270.000 1.19600e-07  -1.36806e+00 0.00000e+00 0.00000e+00 7.87653e+00 270.000 4.32259e+01 90.000  0.8782 
1 1 1 0  29 20 o 9  3.20688e+01 2.18379e+01 1.76663e+01 270.000 4.68339e-08  -5.35717e-01 0.00000e+00 0.00000e+00 1.96305e+01 270.000 1.96422e+00 270.000 0.4897 
1 1 1 0  29 21 o 16 5.99211e+01 3.31855e+01 1.06064e+01 90.000  -3.18417e-08 3.64227e-01  0.00000e+00 0.00000e+00 3.95624e+01 90.000  2.89560e+01 90.000  0.3489 
1 1 1 0  29 22 o 1  5.28521e+01 3.22402e+01 1.77231e+01 90.000  3.49198e-17  5.70283e-01  0.00000e+00 0.00000e+00 4.83723e+01 90.000  3.06492e+01 90.000  0.5156 
1 1 1 0  29 24 o 7  4.90085e+01 3.21177e+01 1.66799e+01 90.000  -4.72123e-08 5.40046e-01  0.00000e+00 0.00000e+00 4.33045e+01 90.000  2.66246e+01 90.000  0.4930 
1 1 1 0  29 25 o 18 3.47004e+01 2.47971e+01 1.94676e+01 90.000  4.32761e-17  7.06752e-01  0.00000e+00 0.00000e+00 3.36156e+01 90.000  1.41480e+01 90.000  0.6086 
1 1 1 0  30 1  o 11 3.65365e+01 2.42875e+01 4.80759e+01 0.000   7.04915e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.11048e+00 0.000   4.69654e+01 180.000 0.6075 
1 1 1 0  30 2  o 14 3.18496e+01 2.19238e+01 8.36584e+00 180.000 -1.12219e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.72372e-01 0.000   8.83821e+00 0.000   0.1117 
1 1 1 0  30 3  f 0  4.94556e+01 2.84281e+01 3.27894e+01 0.000   5.90983e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.54810e+01 0.000   7.30835e+00 180.000 0.5306 
1 1 1 0  30 4  o 13 2.76920e+01 1.95824e+01 2.07015e+01 180.000 -2.51377e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.53471e+00 0.000   2.62362e+01 0.000   0.2462 
1 1 1 0  30 5  o 3  3.58818e+01 2.36275e+01 7.39527e+01 180.000 -9.76119e-01 -0.00000e+00 0.00000e+00 0.00000e+00 1.38423e+01 0.000   8.77950e+01 0.000   0.7514 
1 1 1 0  30 6  o 15 1.56730e+01 1.13572e+01 1.24483e+01 0.000   8.65939e-02  0.00000e+00  0.00000e+00 0.00000e+00 9.42155e+00 180.000 2.18699e+01 180.000 0.0864 
1 1 1 0  30 7  o 13 5.43767e+01 3.55866e+01 5.63767e+01 0.000   8.98983e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.09304e+01 0.000   2.54463e+01 180.000 0.7158 
1 1 1 0  30 8  o 4  6.85281e+01 4.14389e+01 5.94598e+00 180.000 -1.16731e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.19839e+01 180.000 6.03792e+00 180.000 0.1162 
1 1 1 0  30 9  f 0  6.00241e+01 3.88756e+01 6.06754e+01 0.000   1.16645e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.10477e+01 0.000   9.62774e+00 180.000 0.8231 
1 1 1 0  30 10 o 18 4.36325e+01 3.09843e+01 6.61974e+01 0.000   1.19344e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.62499e+01 0.000   4.99475e+01 180.000 0.8316 
1 1 1 0  30 12 o 11 5.26078e+01 3.61266e+01 5.31924e+01 180.000 -1.09458e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.33234e+01 180.000 9.86899e+00 0.000   0.7985 
1 1 1 0  30 13 f 0  5.37929e+01 3.69982e+01 2.39363e+01 180.000 -5.05881e-01 -0.00000e+00 0.00000e+00 0.00000e+00 3.41103e+01 180.000 1.01740e+01 180.000 0.4667 
1 1 1 0  30 14 o 13 5.77748e+01 3.93407e+01 4.12098e+01 0.000   9.31132e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.71168e+01 0.000   1.59070e+01 0.000   0.7311 
1 1 1 0  30 15 o 10 6.56655e+01 4.36599e+01 2.54754e+01 180.000 -5.73779e-01 -0.00000e+00 0.00000e+00 0.00000e+00 5.43048e+01 180.000 2.88293e+01 180.000 0.5181 
1 1 1 0  30 16 o 5  5.03363e+01 3.56140e+01 4.33002e+01 0.000   1.00563e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.75779e+01 0.000   4.27763e+00 0.000   0.7639 
1 1 1 0  30 17 o 13 5.73173e+01 3.98724e+01 1.55354e+01 0.000   3.52117e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.06659e+01 0.000   1.51306e+01 0.000   0.3383 
1 1 1 0  30 18 o 17 3.41704e+01 2.11927e+01 3.86481e+00 180.000 -1.18349e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.81254e+00 180.000 1.94772e+00 180.000 0.1178 
1 1 1 0  30 19 o 8  3.78401e+01 2.35768e+01 1.17087e+01 180.000 -4.12833e-01 -0.00000e+00 0.00000e+00 0.00000e+00 2.41839e+01 180.000 1.24751e+01 180.000 0.3909 
1 1 1 0  30 20 o 2  4.75081e+01 2.79536e+01 1.84075e+01 0.000   6.31629e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.66951e+01 0.000   2.82876e+01 0.000   0.5592 
1 1 1 0  30 21 o 7  2.01658e+01 1.47670e+01 2.37549e+01 0.000   8.29479e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.02096e+01 0.000   1.35453e+01 180.000 0.6802 
1 1 1 0  30 22 o 19 3.34358e+01 2.32647e+01 2.11137e+01 180.000 -7.68744e-01 -0.00000e+00 0.00000e+00 0.00000e+00 3.29695e+01 180.000 1.18558e+01 180.000 0.6462 
1 1 1 0  30 23 o 11 2.70692e+01 1.96356e+01 7.67034e+00 180.000 -2.96811e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.20935e+01 180.000 4.42311e+00 180.000 0.2884 
1 1 1 0  30 24 o 2  4.54100e+01 3.35701e+01 4.01556e-01 0.000   1.12312e-02  0.00000e+00  0.00000e+00 0.00000e+00 9.04969e-01 0.000   5.03413e-01 0.000   0.0112 
1 1 1 0  31 1  o 9  2.99539e+01 2.10607e+01 1.14021e+01 90.000  -1.45785e-08 1.66758e-01  0.00000e+00 0.00000e+00 7.15141e-02 270.000 1.14736e+01 270.000 0.1652 
1 1 1 0  31 2  o 14 4.40777e+01 2.77441e+01 5.58530e+01 270.000 8.87693e-08  -1.01540e+00 0.00000e+00 0.00000e+00 2.17025e+01 270.000 3.41505e+01 90.000  0.7680 
1 1 1 0  31 3  o 8  3.70569e+01 2.41926e+01 4.66873e+01 270.000 -5.13543e-17 -8.38679e-01 0.00000e+00 0.00000e+00 1.15520e+01 270.000 3.51353e+01 90.000  0.6851 
1 1 1 0  31 4  o 17 2.71271e+01 1.90014e+01 4.12179e+01 90.000  -5.39643e-08 6.17280e-01  0.00000e+00 0.00000e+00 6.97954e+00 270.000 4.81975e+01 270.000 0.5492 
1 1 1 0  31 5  o 2  2.67138e+01 1.83722e+01 3.23829e+01 90.000  -4.46004e-08 5.10169e-01  0.00000e+00 0.00000e+00 3.45978e+00 270.000 3.58426e+01 270.000 0.4701 
1 1 1 0  31 6  o 14 2.62946e+01 1.76561e+01 3.19175e+01 270.000 -3.06977e-17 -5.01332e-01 0.00000e+00 0.00000e+00 3.78902e+00 90.000  3.57065e+01 90.000  0.4632 
1 1 1 0  31 7  o 11 3.39717e+01 2.46608e+01 5.59606e+01 270.000 -6.09384e-17 -9.95199e-01 0.00000e+00 0.00000e+00 3.83279e+00 270.000 5.21278e+01 90.000  0.7596 
1 1 1 0  31 8  o 4  4.19708e+01 2.97042e+01 1.55534e+01 270.000 -1.93736e-17 -3.16395e-01 0.00000e+00 0.00000e+00 1.43436e+01 270.000 1.20978e+00 90.000  0.3062 
1 1 1 0  31 9  o 2  6.91140e+01 4.32562e+01 3.88356e+01 90.000  5.08726e-17  8.30813e-01  0.00000e+00 0.00000e+00 7.10978e+01 90.000  3.22622e+01 90.000  0.6809 
1 1 1 0  31 10 o 9  5.98997e+01 3.96766e+01 1.74317e+01 270.000 -2.28606e-17 -3.73341e-01 0.00000e+00 0.00000e+00 3.27492e+01 270.000 1.53175e+01 270.000 0.3569 
1 1 1 0  31 12 o 14 4.96629e+01 3.49891e+01 4.32893e+01 90.000  -8.86346e-08 1.01386e+00  0.00000e+00 0.00000e+00 4.71590e+01 90.000  3.86964e+00 90.000  0.7674 
1 1 1 0  31 13 o 10 5.40766e+01 3.77301e+01 7.15741e+00 270.000 1.40721e-08  -1.60966e-01 0.00000e+00 0.00000e+00 1.34549e+01 270.000 6.29746e+00 270.000 0.1596 
1 1 1 0  31 14 o 16 4.12377e+01 3.00309e+01 3.04348e+01 90.000  4.40204e-17  7.18908e-01  0.00000e+00 0.00000e+00 3.06744e+01 90.000  2.39566e-01 90.000  0.6162 
1 1 1 0  31 15 o 7  5.00012e+01 3.56766e+01 1.16208e+01 90.000  1.66011e-17  2.71117e-01  0.00000e+00 0.00000e+00 2.04359e+01 90.000  8.81516e+00 90.000  0.2647 
1 1 1 0  31 16 o 15 5.99331e+01 4.13646e+01 1.06268e+00 90.000  1.46799e-18  2.39740e-02  0.00000e+00 0.00000e+00 2.44454e+00 90.000  1.38186e+00 90.000  0.0240 
1 1 1 0  31 17 o 1  6.53011e+01 4.46406e+01 2.41875e+01 270.000 4.85247e-08  -5.55058e-01 0.00000e+00 0.00000e+00 5.68830e+01 270.000 3.26955e+01 270.000 0.5043 
1 1 1 0  31 18 o 6  5.49660e+01 3.89557e+01 3.32377e+00 90.000  -6.93057e-09 7.92765e-02  0.00000e+00 0.00000e+00 7.47604e+00 90.000  4.15227e+00 90.000  0.0791 
1 1 1 0  31 19 o 18 2.67187e+01 1.78891e+01 1.18263e+00 90.000  2.75119e-18  4.49303e-02  0.00000e+00 0.00000e+00 1.82483e+00 90.000  6.42197e-01 90.000  0.0449 
1 1 1 0  31 20 o 1  3.66995e+01 2.34926e+01 7.78385e+00 270.000 2.67071e-08  -3.05493e-01 0.00000e+00 0.00000e+00 1.97488e+01 270.000 1.19649e+01 270.000 0.2963 
1 1 1 0  31 21 o 16 5.14723e+01 2.98521e+01 1.53514e+00 90.000  3.54069e-18  5.78238e-02  0.00000e+00 0.00000e+00 6.06981e+00 90.000  4.53467e+00 90.000  0.0578 
1 1 1 0  31 22 o 2  2.94305e+01 2.07666e+01 5.91886e+00 270.000 -1.45064e-17 -2.36907e-01 0.00000e+00 0.00000e+00 1.17808e+01 270.000 5.86192e+00 270.000 0.2326 
1 1 1 0  32 0  o 11 3.55668e+01 2.51833e+01 7.95760e+01 0.000   1.01032e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.50992e+01 180.000 9.46752e+01 180.000 0.7659 
1 1 1 0  32 1  o 15 4.27440e+01 2.95207e+01 5.76717e+01 180.000 -1.19812e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.66346e+01 180.000 3.10371e+01 0.000   0.8331 
1 1 1 0  32 2  f 0  4.35809e+01 2.80770e+01 3.01059e+01 180.000 -6.69005e-01 -0.00000e+00 0.00000e+00 0.00000e+00 3.02303e+01 180.000 1.24388e-01 180.000 0.5843 
1 1 1 0  32 3  o 19 2.45125e+01 1.75995e+01 6.96001e+00 180.000 -1.22120e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.06358e-01 180.000 6.85365e+00 0.000   0.1215 
1 1 1 0  32 4  o 11 5.54779e+01 3.05862e+01 4.05442e+01 180.000 -1.10167e+00 -0.00000e+00 0.00000e+00 0.00000e+00 6.50761e+01 180.000 2.45319e+01 180.000 0.8011 
1 1 1 0  32 5  o 3  2.88598e+01 1.97285e+01 3.76714e+00 0.000   7.78018e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.57032e+00 0.000   2.19682e+00 180.000 0.0776 
1 1 1 0  32 6  o 10 3.11832e+01 1.99825e+01 1.64161e+01 0.000   3.80143e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.06085e+01 0.000   5.80767e+00 180.000 0.3628 
1 1 1 0  32 7  o 5  3.92732e+01 2.80573e+01 3.02535e+01 180.000 -6.53588e-01 -0.00000e+00 0.00000e+00 0.00000e+00 2.37752e+01 180.000 6.47825e+00 0.000   0.5741 
1 1 1 0  32 8  o 18 3.69028e+01 2.67579e+01 6.66106e+00 0.000   1.53849e-01  0.00000e+00  0.00000e+00 0.00000e+00 6.88913e+00 0.000   2.28063e-01 0.000   0.1526 
1 1 1 0  32 9  o 12 4.22347e+01 3.02693e+01 3.01820e+01 0.000   7.21467e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.28541e+01 0.000   2.67214e+00 0.000   0.6178 
1 1 1 0  32 10 o 3  4.41405e+01 3.16272e+01 2.27233e+01 0.000   5.25457e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.89107e+01 0.000   6.18748e+00 0.000   0.4819 
1 1 1 0  32 11 o 1  5.47826e+01 3.78757e+01 2.44156e+01 180.000 -5.57043e-01 -0.00000e+00 0.00000e+00 0.00000e+00 4.31997e+01 180.000 1.87841e+01 180.000 0.5058 
1 1 1 0  32 12 o 2  4.37480e+01 3.14046e+01 4.67061e+00 180.000 -1.11923e-01 -0.00000e+00 0.00000e+00 0.00000e+00 7.29758e+00 180.000 2.62698e+00 180.000 0.1115 
1 1 1 0  32 13 o 5  5.95373e+01 4.07669e+01 2.06065e+01 0.000   4.70239e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.38623e+01 0.000   2.32558e+01 0.000   0.4384 
1 1 1 0  32 14 o 5  3.91355e+01 2.87426e+01 2.23533e+01 180.000 -5.83871e-01 -0.00000e+00 0.00000e+00 0.00000e+00 2.87884e+01 180.000 6.43509e+00 180.000 0.5255 
1 1 1 0  32 15 o 16 6.31462e+01 4.30978e+01 5.97797e+00 180.000 -1.39070e-01 -0.00000e+00 0.00000e+00 0.00000e+00 1.58808e+01 180.000 9.90281e+00 180.000 0.1382 
1 1 1 0  32 16 o 8  4.22262e+01 3.08671e+01 1.55811e+01 0.000   4.06880e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.55522e+01 0.000   9.97106e+00 0.000   0.3858 
1 1 1 0  32 17 o 15 4.90725e+01 3.54353e+01 8.27701e+00 0.000   2.14226e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.80849e+01 0.000   9.80787e+00 0.000   0.2110 
1 1 1 0  32 18 o 18 5.36957e+01 3.86252e+01 1.64196e+00 180.000 -4.10342e-02 0.00000e+00  0.00000e+00 0.00000e+00 4.01410e+00 180.000 2.37214e+00 180.000 0.0410 
1 1 1 0  32 19 o 11 2.00753e+01 1.38541e+01 8.46747e+00 0.000   3.48048e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.94938e+00 0.000   4.81907e-01 0.000   0.3346 
1 1 1 0  32 20 f 0  2.97584e+01 1.96588e+01 2.09731e+00 0.000   8.76765e-02  0.00000e+00  0.00000e+00 0.00000e+00 4.71631e+00 0.000   2.61900e+00 0.000   0.0875 
1 1 1 0  33 1  o 11 4.00616e+01 2.81934e+01 3.36732e+01 270.000 -5.09085e-17 -8.31399e-01 0.00000e+00 0.00000e+00 3.32180e+01 270.000 4.55203e-01 90.000  0.6812 
1 1 1 0  33 2  o 15 2.73420e+01 1.97554e+01 5.94320e+01 270.000 1.25952e-07  -1.44073e+00 0.00000e+00 0.00000e+00 5.15269e-01 270.000 5.89168e+01 90.000  0.8938 
1 1 1 0  33 3  o 16 4.13922e+01 2.66453e+01 4.21329e+01 90.000  7.01435e-17  1.14553e+00  0.00000e+00 0.00000e+00 4.08476e+01 90.000  1.28531e+00 270.000 0.8163 
1 1 1 0  33 4  f 0  3.93298e+01 2.56206e+01 4.48155e+01 90.000  -1.03490e-07 1.18379e+00  0.00000e+00 0.00000e+00 3.53672e+01 90.000  9.44829e+00 270.000 0.8286 
1 1 1 0  33 5  o 18 4.97246e+01 2.84159e+01 5.42433e+01 270.000 1.40401e-07  -1.60601e+00 0.00000e+00 0.00000e+00 5.88787e+01 270.000 4.63537e+00 270.000 0.9226 
1 1 1 0  33 6  o 5  2.75995e+01 1.85019e+01 2.77322e+01 270.000 6.30463e-08  -7.21166e-01 0.00000e+00 0.00000e+00 1.44192e+01 270.000 1.33130e+01 90.000  0.6176 
1 1 1 0  33 7  o 15 5.14321e+01 3.53066e+01 3.25394e+01 90.000  -6.68810e-08 7.65030e-01  0.00000e+00 0.00000e+00 4.96369e+01 90.000  1.70975e+01 90.000  0.6440 
1 1 1 0  33 8  o 18 3.53351e+01 2.57764e+01 2.72151e+01 90.000  -5.87171e-08 6.71645e-01  0.00000e+00 0.00000e+00 2.43550e+01 90.000  2.86008e+00 270.000 0.5861 
1 1 1 0  33 9  o 12 6.08251e+01 4.05247e+01 1.76964e+01 270.000 3.56778e-08  -4.08106e-01 0.00000e+00 0.00000e+00 4.11543e+01 270.000 2.34578e+01 270.000 0.3869 
1 1 1 0  33 11 o 1  6.37916e+01 4.29921e+01 1.12137e+01 270.000 -1.56525e-17 -2.55625e-01 0.00000e+00 0.00000e+00 2.91081e+01 270.000 1.78944e+01 270.000 0.2502 
1 1 1 0  33 12 o 12 5.41092e+01 3.79303e+01 1.00357e+01 270.000 2.14916e-08  -2.45836e-01 0.00000e+00 0.00000e+00 2.31002e+01 270.000 1.30646e+01 270.000 0.2410 
1 1 1 0  33 13 o 17 4.07696e+01 2.97905e+01 1.68705e+01 90.000  2.74299e-17  4.47965e-01  0.00000e+00 0.00000e+00 2.69388e+01 90.000  1.00683e+01 90.000  0.4202 
1 1 1 0  33 14 o 16 5.74947e+01 4.04029e+01 1.74456e+01 90.000  2.49595e-17  4.07620e-01  0.00000e+00 0.00000e+00 3.97584e+01 90.000  2.23128e+01 90.000  0.3864 
1 1 1 0  33 15 o 9  4.62869e+01 3.37122e+01 4.05303e+00 90.000  6.49863e-18  1.06131e-01  0.00000e+00 0.00000e+00 8.63966e+00 90.000  4.58663e+00 90.000  0.1057 
1 1 1 0  33 16 o 1  3.84849e+01 2.85331e+01 1.30791e+01 270.000 3.40203e-08  -3.89147e-01 0.00000e+00 0.00000e+00 2.42031e+01 270.000 1.11240e+01 270.000 0.3706 
1 1 1 0  33 17 o 3  3.96470e+01 2.93297e+01 2.60105e+00 90.000  -6.66231e-09 7.62080e-02  0.00000e+00 0.00000e+00 5.34702e+00 90.000  2.74598e+00 90.000  0.0761 
1 1 1 0  33 18 o 13 3.99520e+01 2.96182e+01 9.60219e+00 270.000 -1.71593e-17 -2.80232e-01 0.00000e+00 0.00000e+00 1.94124e+01 270.000 9.81019e+00 270.000 0.2731 
1 1 1 0  33 19 o 16 4.26665e+01 3.14924e+01 7.08840e+00 270.000 -1.23213e-17 -2.01223e-01 0.00000e+00 0.00000e+00 1.56486e+01 270.000 8.56021e+00 270.000 0.1986 
1 1 1 0  34 0  o 11 5.64756e+01 3.63105e+01 1.78725e+01 0.000   3.57742e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.13531e+01 0.000   1.34806e+01 0.000   0.3432 
1 1 1 0  34 1  o 1  3.42330e+01 2.47527e+01 1.01655e+01 0.000   2.57381e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.17343e+01 0.000   1.56888e+00 0.000   0.2518 
1 1 1 0  34 2  o 17 3.45403e+01 2.39505e+01 1.64159e+01 180.000 -4.34949e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.95356e+01 180.000 3.11966e+00 180.000 0.4094 
1 1 1 0  34 3  o 14 3.86073e+01 2.57597e+01 6.00041e+01 180.000 -1.63136e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.10164e+01 180.000 2.89877e+01 0.000   0.9263 
1 1 1 0  34 4  o 9  2.18433e+01 1.59096e+01 2.14080e+01 180.000 -5.42814e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.16791e+00 180.000 1.52401e+01 0.000   0.4951 
1 1 1 0  34 5  o 9  4.87660e+01 2.91521e+01 2.78628e+01 0.000   8.35419e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.73034e+01 0.000   2.94407e+01 0.000   0.6834 
1 1 1 0  34 6  o 18 2.13953e+01 1.51632e+01 2.19265e+01 180.000 -6.25869e-01 0.00000e+00  0.00000e+00 0.00000e+00 8.51487e+00 180.000 1.34116e+01 0.000   0.5552 
1 1 1 0  34 7  o 10 3.86476e+01 2.79704e+01 1.79122e+01 180.000 -4.73269e-01 -0.00000e+00 0.00000e+00 0.00000e+00 2.58924e+01 180.000 7.98026e+00 180.000 0.4408 
1 1 1 0  34 8  o 6  6.92987e+01 4.44703e+01 4.20006e+01 0.000   9.94585e-01  0.00000e+00  0.00000e+00 0.00000e+00 9.38017e+01 0.000   5.18011e+01 0.000   0.7593 
1 1 1 0  34 9  o 10 6.75631e+01 4.41298e+01 4.27359e+01 0.000   9.89945e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.98887e+01 0.000   4.71528e+01 0.000   0.7573 
1 1 1 0  34 11 o 2  5.00179e+01 3.56524e+01 2.50485e+01 180.000 -6.20917e-01 -0.00000e+00 0.00000e+00 0.00000e+00 4.72094e+01 180.000 2.21610e+01 180.000 0.5518 
1 1 1 0  34 12 o 9  4.32337e+01 3.13873e+01 5.84619e+00 0.000   1.59363e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.21458e+01 0.000   6.29958e+00 0.000   0.1580 
1 1 1 0  34 13 o 18 6.66834e+01 4.52095e+01 2.33875e+01 0.000   5.18019e-01  0.00000e+00  0.00000e+00 0.00000e+00 6.07600e+01 0.000   3.73725e+01 0.000   0.4762 
1 1 1 0  34 14 o 11 4.96537e+01 3.57638e+01 5.01251e-01 180.000 -1.28451e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.20046e+00 180.000 6.99208e-01 180.000 0.0128 
1 1 1 0  34 15 o 14 5.58375e+01 3.97161e+01 7.11077e-01 180.000 -1.69928e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.83894e+00 180.000 1.12786e+00 180.000 0.0170 
1 1 1 0  34 16 o 1  3.96867e+01 2.93523e+01 1.27493e+01 0.000   3.78646e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.61176e+01 0.000   1.33683e+01 0.000   0.3615 
1 1 1 0  35 1  o 3  3.41901e+01 2.48089e+01 2.32949e+01 270.000 -4.07324e-17 -6.65210e-01 0.00000e+00 0.00000e+00 2.91290e+01 270.000 5.83413e+00 270.000 0.5818 
1 1 1 0  35 2  o 18 3.91224e+01 2.65618e+01 1.96178e+01 90.000  -5.09450e-08 5.82743e-01  0.00000e+00 0.00000e+00 3.45160e+01 90.000  1.48982e+01 90.000  0.5247 
1 1 1 0  35 3  o 1  3.77485e+01 2.55653e+01 4.42812e+01 90.000  8.18662e-17  1.33698e+00  0.00000e+00 0.00000e+00 4.25361e+01 90.000  1.74512e+00 270.000 0.8709 
1 1 1 0  35 4  f 0  3.33089e+01 2.30955e+01 3.32403e+01 270.000 -6.16900e-17 -1.00747e+00 0.00000e+00 0.00000e+00 3.41414e+01 270.000 9.01154e-01 270.000 0.7647 
1 1 1 0  35 5  o 18 3.29996e+01 2.24355e+01 1.35140e+01 90.000  -3.67153e-08 4.19974e-01  0.00000e+00 0.00000e+00 2.12130e+01 90.000  7.69902e+00 90.000  0.3969 
1 1 1 0  35 6  f 0  3.27660e+01 2.15383e+01 3.38039e+01 90.000  -1.00446e-07 1.14897e+00  0.00000e+00 0.00000e+00 3.74057e+01 90.000  3.60178e+00 90.000  0.8174 
1 1 1 0  35 7  o 16 5.15393e+01 3.59551e+01 2.68899e+01 270.000 5.84486e-08  -6.68574e-01 0.00000e+00 0.00000e+00 5.34032e+01 270.000 2.65132e+01 270.000 0.5840 
1 1 1 0  35 8  o 18 4.16185e+01 3.02288e+01 2.69469e+01 270.000 -4.55578e-17 -7.44016e-01 0.00000e+00 0.00000e+00 4.34322e+01 270.000 1.64852e+01 270.000 0.6316 
1 1 1 0  35 9  o 5  3.97478e+01 2.90588e+01 2.19718e+01 90.000  3.73447e-17  6.09885e-01  0.00000e+00 0.00000e+00 3.61781e+01 90.000  1.42063e+01 90.000  0.5440 
1 1 1 0  35 10 o 18 4.51116e+01 3.26536e+01 1.39918e+00 90.000  2.32469e-18  3.79651e-02  0.00000e+00 0.00000e+00 3.22618e+00 90.000  1.82701e+00 90.000  0.0379 
1 1 1 0  35 11 o 18 5.86703e+01 4.06693e+01 2.62049e-01 270.000 -3.80515e-19 -6.21428e-03 0.00000e+00 0.00000e+00 7.28292e-01 270.000 4.66243e-01 270.000 0.0062 
1 1 1 0  35 12 o 1  3.41116e+01 2.53702e+01 1.12648e+01 90.000  -3.07535e-08 3.51779e-01  0.00000e+00 0.00000e+00 2.02314e+01 90.000  8.96656e+00 90.000  0.3380 
1 1 1 0  35 13 o 14 3.91815e+01 2.88970e+01 8.39408e+00 90.000  1.49833e-17  2.44695e-01  0.00000e+00 0.00000e+00 1.74520e+01 90.000  9.05797e+00 90.000  0.2399 
1 1 1 0  35 14 o 9  4.56333e+01 3.33422e+01 6.89833e+00 270.000 1.61424e-08  -1.84647e-01 0.00000e+00 0.00000e+00 1.61650e+01 270.000 9.26669e+00 270.000 0.1826 
1 1 1 0  36 0  o 4  5.95427e+01 3.83156e+01 2.92637e+01 180.000 -6.72285e-01 -0.00000e+00 0.00000e+00 0.00000e+00 6.62909e+01 180.000 3.70272e+01 180.000 0.5865 
1 1 1 0  36 1  o 8  3.42585e+01 2.43795e+01 2.83653e+01 180.000 -8.79344e-01 -0.00000e+00 0.00000e+00 0.00000e+00 3.78424e+01 180.000 9.47709e+00 180.000 0.7061 
1 1 1 0  36 2  o 18 4.50199e+01 2.95094e+01 1.44607e+00 0.000   4.38524e-02  0.00000e+00  0.00000e+00 0.00000e+00 3.95807e+00 0.000   2.51201e+00 0.000   0.0438 
1 1 1 0  36 3  o 11 4.69302e+01 3.01744e+01 6.33731e+00 0.000   1.93011e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.82009e+01 0.000   1.18636e+01 0.000   0.1906 
1 1 1 0  36 4  o 9  2.79810e+01 2.00932e+01 1.75590e+01 0.000   6.35816e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.56481e+01 0.000   8.08905e+00 0.000   0.5620 
1 1 1 0  36 5  o 2  2.70651e+01 1.91302e+01 2.41624e+01 180.000 -9.05088e-01 -0.00000e+00 0.00000e+00 0.00000e+00 2.94055e+01 180.000 5.24302e+00 180.000 0.7188 
1 1 1 0  36 6  o 18 2.40166e+01 1.69772e+01 1.31427e+00 0.000   5.07848e-02  0.00000e+00  0.00000e+00 0.00000e+00 2.05073e+00 0.000   7.36460e-01 0.000   0.0507 
1 1 1 0  36 7  o 9  5.60044e+01 3.88223e+01 2.94397e+01 0.000   7.17970e-01  0.00000e+00  0.00000e+00 0.00000e+00 6.60799e+01 0.000   3.66402e+01 0.000   0.6157 
1 1 1 0  36 8  o 4  4.54234e+01 3.26344e+01 1.67422e+01 180.000 -4.49902e-01 -0.00000e+00 0.00000e+00 0.00000e+00 3.65403e+01 180.000 1.97981e+01 180.000 0.4218 
1 1 1 0  36 10 f 0  4.48862e+01 3.24627e+01 4.32692e+00 0.000   1.18242e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.04979e+01 0.000   6.17099e+00 0.000   0.1177 
1 1 1 0  36 11 o 16 4.03549e+01 2.95976e+01 2.48128e+01 0.000   7.15614e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.51098e+01 0.000   2.02970e+01 0.000   0.6142 
1 1 1 0  37 1  o 17 3.76299e+01 2.61742e+01 1.53886e+01 90.000  3.04600e-17  4.97450e-01  0.00000e+00 0.00000e+00 3.38806e+01 90.000  1.84920e+01 90.000  0.4601 
1 1 1 0  37 2  o 11 4.30614e+01 3.07712e+01 2.02904e+01 90.000  -5.06256e-08 5.79089e-01  0.00000e+00 0.00000e+00 4.37232e+01 90.000  2.34328e+01 90.000  0.5220 
1 1 1 0  37 3  o 19 4.69268e+01 3.04629e+01 1.17678e+01 270.000 3.25361e-08  -3.72170e-01 0.00000e+00 0.00000e+00 3.58526e+01 270.000 2.40848e+01 270.000 0.3559 
1 1 1 0  37 4  o 12 2.96774e+01 2.10799e+01 1.17841e+01 270.000 3.84244e-08  -4.39524e-01 0.00000e+00 0.00000e+00 2.32477e+01 270.000 1.14636e+01 270.000 0.4132 
1 1 1 0  37 5  o 9  2.76457e+01 1.94778e+01 9.92721e+00 90.000  -3.41139e-08 3.90217e-01  0.00000e+00 0.00000e+00 1.94799e+01 90.000  9.55267e+00 90.000  0.3715 
1 1 1 0  37 6  o 5  2.99799e+01 2.03368e+01 1.79306e+00 270.000 6.22992e-09  -7.12619e-02 0.00000e+00 0.00000e+00 4.32999e+00 270.000 2.53693e+00 270.000 0.0711 
1 1 1 1  0  9  o 7  1.35618e+03 4.06504e+01 7.49245e+02 90.000  -9.19388e-07 1.05166e+01  0.00000e+00 0.00000e+00 1.14365e+03 90.000  3.94408e+02 90.000  1.0000 
1 1 1 1  0  10 o 9  1.59294e+03 6.71470e+01 8.39916e+02 180.000 -1.46126e+01 -0.00000e+00 0.00000e+00 0.00000e+00 1.39412e+03 180.000 5.54205e+02 180.000 1.0000 
1 1 1 1  0  12 o 17 4.33854e+02 2.58171e+01 2.59824e+02 0.000   1.44175e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.90244e+02 0.000   3.04194e+01 0.000   0.8940 
1 1 1 1  0  13 f 0  6.62076e+02 3.27280e+01 4.73501e+02 270.000 -2.32443e-16 -3.79608e+00 0.00000e+00 0.00000e+00 4.70382e+02 270.000 3.11885e+00 90.000  0.9990 
1 1 1 1  0  15 o 13 2.13902e+02 2.52154e+01 5.29131e+01 270.000 2.91537e-08  -3.33479e-01 0.00000e+00 0.00000e+00 4.66665e+01 270.000 6.24658e+00 90.000  0.3216 
1 1 1 1  0  16 f 0  2.77324e+02 2.49926e+01 1.92371e+01 180.000 -2.00909e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.09629e+01 180.000 4.17258e+01 180.000 0.1982 
1 1 1 1  0  17 o 1  3.51576e+02 2.56200e+01 1.98229e+02 90.000  1.99716e-16  3.26161e+00  0.00000e+00 0.00000e+00 3.17396e+02 90.000  1.19168e+02 90.000  0.9971 
1 1 1 1  0  18 o 9  4.36761e+02 2.79340e+01 3.05580e+02 180.000 -6.29350e+00 -0.00000e+00 0.00000e+00 0.00000e+00 3.42554e+02 180.000 3.69745e+01 180.000 1.0000 
1 1 1 1  0  19 o 15 5.66592e+02 3.18782e+01 3.37493e+02 270.000 -6.32450e-16 -1.03287e+01 0.00000e+00 0.00000e+00 5.11192e+02 270.000 1.73699e+02 270.000 1.0000 
1 1 1 1  0  20 o 15 3.56521e+02 2.87787e+01 3.91609e+02 0.000   1.07942e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.47694e+02 0.000   2.43914e+02 180.000 1.0000 
1 1 1 1  0  21 o 14 9.12605e+02 4.57354e+01 4.08024e+02 270.000 -1.44915e-15 -2.36664e+01 0.00000e+00 0.00000e+00 9.86804e+02 270.000 5.78781e+02 270.000 1.0000 
1 1 1 1  0  22 o 10 4.07327e+01 2.85578e+01 5.50931e+01 180.000 -2.27227e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.10337e+01 0.000   9.61268e+01 0.000   0.2234 
1 1 1 1  0  24 o 17 6.42969e+01 4.13713e+01 2.88200e+01 0.000   2.12419e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.54144e+00 180.000 3.63615e+01 180.000 0.2093 
1 1 1 1  0  25 o 15 8.93649e+01 5.07774e+01 3.56644e+01 270.000 -1.99599e-17 -3.25970e-01 0.00000e+00 0.00000e+00 9.38843e+00 270.000 2.62760e+01 90.000  0.3149 
1 1 1 1  0  26 o 11 3.51168e+02 3.86903e+01 2.04059e+02 180.000 -6.52025e+00 -0.00000e+00 0.00000e+00 0.00000e+00 3.65433e+02 180.000 1.61374e+02 180.000 1.0000 
1 1 1 1  0  27 o 16 8.55284e+02 4.77587e+01 3.50745e+02 90.000  -2.53439e-06 2.89901e+01  0.00000e+00 0.00000e+00 1.05495e+03 90.000  7.04201e+02 90.000  1.0000 
1 1 1 1  0  28 o 5  1.33421e+02 5.57147e+01 2.05611e+01 180.000 -3.16065e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.74641e+01 180.000 2.69030e+01 180.000 0.3059 
1 1 1 1  0  29 o 12 8.52004e+01 4.75206e+01 5.80281e+01 270.000 -4.23456e-17 -6.91557e-01 0.00000e+00 0.00000e+00 2.82499e+01 270.000 2.97781e+01 90.000  0.5990 
1 1 1 1  0  30 o 6  1.31132e+02 5.03280e+01 1.28270e+02 180.000 -2.96433e+00 0.00000e+00  0.00000e+00 0.00000e+00 9.55532e+01 180.000 3.27163e+01 0.000   0.9947 
1 1 1 1  0  31 o 2  5.53358e+01 3.70116e+01 2.85462e+01 270.000 -2.06266e-17 -3.36857e-01 0.00000e+00 0.00000e+00 2.76022e+00 270.000 2.57860e+01 90.000  0.3247 
1 1 1 1  0  32 o 3  4.74257e+01 3.29048e+01 6.94489e+01 0.000   9.79971e-01  0.00000e+00  0.00000e+00 0.00000e+00 6.21837e+00 180.000 7.56673e+01 180.000 0.7531 
1 1 1 1  0  33 o 11 5.18856e+01 3.56409e+01 4.61517e+01 90.000  -5.75690e-08 6.58513e-01  0.00000e+00 0.00000e+00 7.76317e+00 90.000  3.83885e+01 270.000 0.5774 
1 1 1 1  0  35 o 4  9.53954e+01 5.58136e+01 6.87230e+01 90.000  9.96993e-17  1.62821e+00  0.00000e+00 0.00000e+00 9.57703e+01 90.000  2.70473e+01 90.000  0.9258 
1 1 1 1  0  36 o 4  4.90063e+01 3.52592e+01 1.55807e+00 180.000 -3.78805e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.96025e+00 180.000 4.02183e-01 180.000 0.0379 
1 1 1 1  0  37 o 2  5.73495e+01 4.05758e+01 4.71707e+01 270.000 1.07726e-07  -1.23224e+00 0.00000e+00 0.00000e+00 4.62291e+01 270.000 9.41590e-01 90.000  0.8432 
1 1 1 1  0  38 o 13 7.08965e+01 4.90193e+01 7.22600e+00 180.000 -1.80765e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.77274e+01 180.000 1.05014e+01 180.000 0.1788 
1 1 1 1  0  39 o 12 5.66208e+01 4.06741e+01 2.81792e+01 90.000  -7.09125e-08 8.11144e-01  0.00000e+00 0.00000e+00 4.79781e+01 90.000  1.97988e+01 90.000  0.6702 
1 1 1 1  0  40 o 13 4.88391e+01 3.57314e+01 1.28265e+01 0.000   4.09128e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.59411e+01 0.000   1.31146e+01 0.000   0.3877 
1 1 1 1  1  9  o 7  7.55471e+02 1.75592e+01 6.64288e+02 46.055  7.17255e+00  7.44170e+00  0.00000e+00 0.00000e+00 3.38317e+02 46.055  3.25972e+02 226.055 0.9503 
1 1 1 1  1  10 o 10 5.02921e+02 2.70427e+01 2.86377e+02 276.580 3.65417e-01  -3.16783e+00 0.00000e+00 0.00000e+00 2.94441e+02 276.580 8.06398e+00 276.580 0.8230 
1 1 1 1  1  11 o 5  8.73963e+02 3.97126e+01 5.43326e+02 268.193 -4.36757e-01 -1.38461e+01 0.00000e+00 0.00000e+00 6.44175e+02 268.193 1.00849e+02 268.193 0.9632 
1 1 1 1  1  12 o 18 1.28433e+03 3.88374e+01 9.15161e+02 88.178  9.29793e-01  2.92234e+01  0.00000e+00 0.00000e+00 8.75693e+02 88.178  3.94683e+01 268.178 0.9827 
1 1 1 1  1  13 o 4  3.21198e+02 2.35847e+01 2.53228e+02 206.905 -1.74576e+00 -8.85855e-01 0.00000e+00 0.00000e+00 6.35397e+01 206.905 1.89688e+02 26.905  0.6907 
1 1 1 1  1  14 f 0  4.58921e+02 1.87843e+01 3.39708e+02 347.054 8.40559e+00  -1.93222e+00 0.00000e+00 0.00000e+00 2.80520e+02 347.054 5.91876e+01 167.054 0.9401 
1 1 1 1  1  15 o 7  7.40983e+02 2.51256e+01 6.08565e+02 121.453 -1.36263e+01 2.22767e+01  0.00000e+00 0.00000e+00 4.43739e+02 121.453 1.64825e+02 301.453 0.9807 
1 1 1 1  1  16 o 19 2.93914e+02 1.71046e+01 1.89521e+02 270.782 5.70889e-02  -4.18450e+00 0.00000e+00 0.00000e+00 1.83801e+02 270.782 5.71976e+00 90.782  0.8703 
1 1 1 1  1  17 o 12 5.24968e+02 2.06885e+01 2.59056e+02 227.579 -9.13322e+00 -9.99467e+00 0.00000e+00 0.00000e+00 4.84442e+02 227.579 2.25386e+02 227.579 0.9623 
1 1 1 1  1  18 o 3  4.37634e+02 1.96127e+01 2.73559e+02 180.967 -1.12630e+01 -1.90095e-01 0.00000e+00 0.00000e+00 3.46673e+02 180.967 7.31147e+01 180.967 0.9545 
1 1 1 1  1  19 o 17 1.26383e+02 2.41353e+01 1.06480e+02 350.054 1.42007e+00  -2.49006e-01 0.00000e+00 0.00000e+00 3.64075e+00 350.054 1.02839e+02 170.054 0.5814 
1 1 1 1  1  20 o 3  2.01501e+02 2.17716e+01 1.12405e+02 83.260  4.07385e-01  3.44691e+00  0.00000e+00 0.00000e+00 1.43637e+02 83.260  3.12316e+01 83.260  0.8396 
1 1 1 1  1  21 o 1  2.09383e+02 2.32408e+01 1.34810e+02 3.613   3.75926e+00  2.37383e-01  0.00000e+00 0.00000e+00 1.38607e+02 3.613   3.79692e+00 3.613   0.8539 
1 1 1 1  1  22 o 11 4.59752e+02 3.24666e+01 2.93102e+02 195.597 -2.32856e+01 -6.50010e+00 0.00000e+00 0.00000e+00 4.02767e+02 195.597 1.09665e+02 195.597 0.9791 
1 1 1 1  1  23 o 13 2.20761e+02 3.66031e+01 1.41291e+02 198.593 -5.39796e+00 -1.81590e+00 0.00000e+00 0.00000e+00 1.71896e+02 198.593 3.06049e+01 198.593 0.9073 
1 1 1 1  1  24 o 7  1.51421e+02 3.42832e+01 1.06853e+02 273.472 2.12099e-01  -3.49601e+00 0.00000e+00 0.00000e+00 9.46839e+01 273.472 1.21692e+01 93.472  0.8412 
1 1 1 1  1  25 o 1  1.68548e+02 3.51232e+01 5.91660e+01 276.957 2.49095e-01  -2.04137e+00 0.00000e+00 0.00000e+00 1.31672e+02 276.957 7.25057e+01 276.957 0.7068 
1 1 1 1  1  26 o 3  1.74724e+02 3.71670e+01 9.79115e+01 32.581  2.39704e+00  1.53186e+00  0.00000e+00 0.00000e+00 1.28272e+02 32.581  3.03603e+01 32.581  0.7978 
1 1 1 1  1  27 o 17 2.62809e+02 3.08198e+01 1.55784e+02 84.161  8.29529e-01  8.11098e+00  0.00000e+00 0.00000e+00 2.48941e+02 84.161  9.31571e+01 84.161  0.9365 
1 1 1 1  1  28 o 10 1.13711e+02 3.64098e+01 6.82015e+01 185.816 -1.85731e+00 -1.89185e-01 0.00000e+00 0.00000e+00 5.97148e+01 185.816 8.48672e+00 5.816   0.6747 
1 1 1 1  1  29 o 17 1.19618e+02 3.44009e+01 4.21295e+01 1.503   1.39057e+00  3.64942e-02  0.00000e+00 0.00000e+00 7.28027e+01 1.503   3.06732e+01 1.503   0.5680 
1 1 1 1  1  30 o 8  6.82917e+01 2.95510e+01 9.24659e+01 25.185  2.28466e+00  1.07436e+00  0.00000e+00 0.00000e+00 2.45985e+00 205.185 9.49257e+01 205.185 0.7677 
1 1 1 1  1  31 o 17 8.37169e+01 3.29000e+01 8.01295e+01 56.320  1.38173e+00  2.07334e+00  0.00000e+00 0.00000e+00 3.13947e+01 56.320  4.87349e+01 236.320 0.7641 
1 1 1 1  1  32 o 14 9.64204e+01 3.56232e+01 6.31921e+01 43.824  1.89010e+00  1.81409e+00  0.00000e+00 0.00000e+00 6.95920e+01 43.824  6.39984e+00 43.824  0.7774 
1 1 1 1  1  33 o 13 8.93318e+01 3.56437e+01 1.03392e+02 273.103 2.36730e-01  -4.36612e+00 0.00000e+00 0.00000e+00 3.75941e+01 273.103 6.57979e+01 93.104  0.8765 
1 1 1 1  1  34 o 2  7.21719e+01 3.43814e+01 3.19785e+01 178.599 -1.24864e+00 3.05477e-02  0.00000e+00 0.00000e+00 3.77695e+01 178.599 5.79105e+00 178.599 0.5277 
1 1 1 1  1  35 o 1  6.80930e+01 3.37552e+01 4.70513e+01 81.944  2.92936e-01  2.06979e+00  0.00000e+00 0.00000e+00 4.33056e+01 81.944  3.74567e+00 261.944 0.7121 
1 1 1 1  1  36 o 6  6.98941e+01 3.31167e+01 2.89395e+01 120.103 -6.95366e-01 1.19944e+00  0.00000e+00 0.00000e+00 4.62161e+01 120.103 1.72765e+01 120.103 0.5668 
1 1 1 1  1  37 o 2  6.31709e+01 3.11463e+01 6.99740e+01 197.190 -3.40530e+00 -1.05350e+00 0.00000e+00 0.00000e+00 3.31050e+01 197.190 3.68691e+01 17.190  0.8444 
1 1 1 1  1  38 o 3  5.64685e+01 2.83715e+01 1.46798e+01 4.804   8.04114e-01  6.75734e-02  0.00000e+00 0.00000e+00 2.68928e+01 4.804   1.22130e+01 4.804   0.3738 
1 1 1 1  1  39 o 8  5.55853e+01 2.81559e+01 1.62093e+01 13.999  9.20851e-01  2.29578e-01  0.00000e+00 0.00000e+00 3.15650e+01 13.999  1.53556e+01 13.999  0.4280 
1 1 1 1  1  40 f 0  5.82094e+01 2.94815e+01 4.99280e+00 206.248 -2.60062e-01 -1.28240e-01 0.00000e+00 0.00000e+00 1.21144e+01 206.248 7.12163e+00 206.248 0.1435 
1 1 1 1  2  9  o 13 1.10378e+03 3.37312e+01 9.30103e+02 162.241 -1.91892e+01 6.14566e+00  0.00000e+00 0.00000e+00 5.74983e+02 162.241 3.55120e+02 342.241 0.9749 
1 1 1 1  2  10 o 14 3.55915e+02 2.31571e+01 4.29209e+02 186.310 -3.27346e+00 -3.61953e-01 0.00000e+00 0.00000e+00 1.42547e+01 6.310   4.43464e+02 6.310   0.8295 
1 1 1 1  2  11 o 15 1.43363e+03 6.13489e+01 1.20156e+03 285.077 1.22254e+01  -4.53805e+01 0.00000e+00 0.00000e+00 8.02387e+02 285.077 3.99170e+02 105.077 0.9893 
1 1 1 1  2  12 o 2  3.46181e+02 1.65280e+01 3.43414e+02 296.675 1.32964e+00  -2.64658e+00 0.00000e+00 0.00000e+00 5.36670e+01 296.675 2.89747e+02 116.675 0.8071 
1 1 1 1  2  13 o 12 1.15480e+03 3.54677e+01 9.06773e+02 3.540   4.45447e+01  2.75590e+00  0.00000e+00 0.00000e+00 7.26126e+02 3.540   1.80647e+02 183.540 0.9887 
1 1 1 1  2  14 o 11 1.03140e+03 3.23377e+01 6.50730e+02 105.770 -9.68238e+00 3.42844e+01  0.00000e+00 0.00000e+00 8.13394e+02 105.770 1.62664e+02 105.770 0.9859 
1 1 1 1  2  15 o 5  8.01999e+02 2.66318e+01 5.89086e+02 170.362 -2.65576e+01 4.51004e+00  0.00000e+00 0.00000e+00 5.52388e+02 170.362 3.66982e+01 350.362 0.9813 
1 1 1 1  2  16 f 0  4.68967e+02 1.93589e+01 3.00032e+02 91.703  -3.09364e-01 1.04072e+01  0.00000e+00 0.00000e+00 3.51726e+02 91.703  5.16937e+01 91.703  0.9507 
1 1 1 1  2  17 o 11 3.01623e+02 1.76109e+01 3.25244e+02 237.632 -5.22578e+00 -8.24476e+00 0.00000e+00 0.00000e+00 9.59393e+01 237.632 2.29305e+02 57.632  0.9473 
1 1 1 1  2  18 o 15 6.78332e+02 2.45013e+01 3.35206e+02 307.616 1.69985e+01  -2.20601e+01 0.00000e+00 0.00000e+00 6.55285e+02 307.616 3.20080e+02 307.616 0.9819 
1 1 1 1  2  19 o 14 1.84876e+02 2.11769e+01 4.37719e+02 29.624  7.56575e+00  4.30215e+00  0.00000e+00 0.00000e+00 1.76673e+02 209.624 6.14392e+02 209.624 0.9407 
1 1 1 1  2  20 o 13 5.39677e+02 2.25743e+01 3.09296e+02 153.350 -2.26323e+01 1.13583e+01  0.00000e+00 0.00000e+00 4.92486e+02 153.350 1.83190e+02 153.350 0.9801 
1 1 1 1  2  21 o 5  2.01576e+02 2.44020e+01 1.69104e+02 145.981 -4.71166e+00 3.18034e+00  0.00000e+00 0.00000e+00 1.10979e+02 145.981 5.81243e+01 325.981 0.9072 
1 1 1 1  2  22 o 10 3.41349e+02 3.23775e+01 2.08008e+02 17.529  1.21038e+01  3.82296e+00  0.00000e+00 0.00000e+00 2.99259e+02 17.529  9.12513e+01 17.529  0.9598 
1 1 1 1  2  23 o 5  2.70797e+02 3.42792e+01 1.83488e+02 136.393 -6.70180e+00 6.38364e+00  0.00000e+00 0.00000e+00 2.16979e+02 136.393 3.34907e+01 136.393 0.9443 
1 1 1 1  2  24 o 19 2.06209e+02 2.85364e+01 2.23713e+02 193.599 -1.03101e+01 -2.49409e+00 0.00000e+00 0.00000e+00 8.72619e+01 193.599 1.36451e+02 13.599  0.9516 
1 1 1 1  2  25 o 1  2.50652e+02 2.80710e+01 1.17770e+02 53.045  3.93827e+00  5.23484e+00  0.00000e+00 0.00000e+00 2.52267e+02 53.045  1.34497e+02 53.045  0.9201 
1 1 1 1  2  26 o 8  2.34375e+02 3.14330e+01 1.23282e+02 356.885 6.09455e+00  -3.31620e-01 0.00000e+00 0.00000e+00 2.24838e+02 356.885 1.01556e+02 356.885 0.9139 
1 1 1 1  2  27 o 3  1.38082e+02 4.20079e+01 1.92373e+01 27.479  4.13093e-01  2.14849e-01  0.00000e+00 0.00000e+00 3.23254e+01 27.479  1.30882e+01 27.479  0.2267 
1 1 1 1  2  28 o 10 1.60395e+02 3.23605e+01 1.06876e+02 241.789 -2.06182e+00 -3.84353e+00 0.00000e+00 0.00000e+00 1.27808e+02 241.789 2.09312e+01 241.789 0.8761 
1 1 1 1  2  29 o 9  6.33446e+01 2.86035e+01 9.09462e+01 253.085 -5.04837e-01 -1.66005e+00 0.00000e+00 0.00000e+00 2.12830e+01 73.085  1.12229e+02 73.085  0.6491 
1 1 1 1  2  30 o 8  7.33093e+01 3.05077e+01 7.36819e+01 81.191  3.23774e-01  2.08931e+00  0.00000e+00 0.00000e+00 1.65387e+01 81.191  5.71432e+01 261.191 0.7157 
1 1 1 1  2  31 o 15 1.59655e+02 3.12381e+01 4.59893e+01 44.626  2.00723e+00  1.98118e+00  0.00000e+00 0.00000e+00 1.75873e+02 44.626  1.29884e+02 44.626  0.7958 
1 1 1 1  2  32 o 8  6.89700e+01 3.05166e+01 6.21724e+01 172.468 -2.09465e+00 2.76966e-01  0.00000e+00 0.00000e+00 2.53791e+01 172.468 3.67933e+01 352.468 0.7155 
1 1 1 1  2  33 o 7  1.11933e+02 3.89259e+01 6.00452e+01 13.471  2.79810e+00  6.70250e-01  0.00000e+00 0.00000e+00 1.01555e+02 13.471  4.15099e+01 13.471  0.8005 
1 1 1 1  2  34 o 2  1.04230e+02 3.81642e+01 5.39943e+01 20.484  2.50815e+00  9.36965e-01  0.00000e+00 0.00000e+00 9.57052e+01 20.484  4.17109e+01 20.484  0.7830 
1 1 1 1  2  35 o 9  7.85820e+01 3.72956e+01 2.12908e+01 153.042 -8.42787e-01 4.28642e-01  0.00000e+00 0.00000e+00 4.13027e+01 153.042 2.00119e+01 153.042 0.4268 
1 1 1 1  2  36 o 2  7.61403e+01 3.54700e+01 2.00455e+01 207.198 -8.40987e-01 -4.32173e-01 0.00000e+00 0.00000e+00 4.16990e+01 207.198 2.16535e+01 207.198 0.4268 
1 1 1 1  2  37 o 6  6.28642e+01 3.09527e+01 2.06842e+01 84.403  1.03096e-01  1.05204e+00  0.00000e+00 0.00000e+00 3.60465e+01 84.403  1.53623e+01 84.403  0.4662 
1 1 1 1  2  38 o 16 6.36078e+01 3.13903e+01 2.76335e+01 122.296 -7.78375e-01 1.23145e+00  0.00000e+00 0.00000e+00 4.57980e+01 122.296 1.81645e+01 122.296 0.5853 
1 1 1 1  2  39 o 6  5.34395e+01 2.71364e+01 1.62732e+01 351.514 9.62083e-01  -1.43543e-01 0.00000e+00 0.00000e+00 3.06550e+01 351.514 1.43818e+01 351.514 0.4366 
1 1 1 1  2  40 o 8  5.69820e+01 2.88771e+01 1.35507e+01 322.783 6.35525e-01  -4.82679e-01 0.00000e+00 0.00000e+00 2.97386e+01 322.783 1.61879e+01 322.783 0.3703 
1 1 1 1  3  8  o 6  6.48129e+02 1.82869e+01 1.66260e+02 253.155 -5.38012e-01 -1.77695e+00 0.00000e+00 0.00000e+00 4.42656e+02 253.155 2.76396e+02 253.155 0.6728 
1 1 1 1  3  9  o 13 2.69948e+02 1.49683e+01 3.67111e+02 218.019 -1.46431e+00 -1.14483e+00 0.00000e+00 0.00000e+00 1.12259e+02 38.019  4.79370e+02 38.019  0.6732 
1 1 1 1  3  10 o 16 1.50661e+03 3.65798e+01 1.04682e+03 127.006 -1.92972e+01 2.56022e+01  0.00000e+00 0.00000e+00 1.04293e+03 127.006 3.89365e+00 307.006 0.9843 
1 1 1 1  3  11 o 9  6.30827e+02 2.19801e+01 4.91986e+02 167.870 -8.49780e+00 1.82649e+00  0.00000e+00 0.00000e+00 3.48603e+02 167.870 1.43383e+02 347.870 0.9406 
1 1 1 1  3  13 o 12 1.07641e+03 3.33986e+01 5.52365e+02 350.084 2.43981e+01  -4.26537e+00 0.00000e+00 0.00000e+00 9.59666e+02 350.084 4.07301e+02 350.084 0.9796 
1 1 1 1  3  14 o 2  5.20337e+02 2.00467e+01 4.28282e+02 99.222  -1.89811e+00 1.16912e+01  0.00000e+00 0.00000e+00 2.90503e+02 99.222  1.37778e+02 279.222 0.9568 
1 1 1 1  3  15 o 8  2.11565e+02 1.70560e+01 2.68305e+02 154.492 -3.54288e+00 1.69049e+00  0.00000e+00 0.00000e+00 3.51076e+00 334.492 2.71816e+02 334.492 0.8606 
1 1 1 1  3  16 o 15 3.50748e+02 1.75107e+01 2.30677e+02 174.466 -5.87749e+00 5.69472e-01  0.00000e+00 0.00000e+00 2.37604e+02 174.466 6.92670e+00 174.466 0.9109 
1 1 1 1  3  17 o 19 2.88782e+02 1.74752e+01 6.00881e+01 323.042 1.35956e+00  -1.02294e+00 0.00000e+00 0.00000e+00 2.13984e+02 323.042 1.53896e+02 323.042 0.6421 
1 1 1 1  3  18 o 19 6.22543e+02 2.32695e+01 4.33055e+02 333.824 2.94128e+01  -1.44576e+01 0.00000e+00 0.00000e+00 4.80949e+02 333.824 4.78944e+01 333.824 0.9846 
1 1 1 1  3  19 o 9  6.14722e+02 2.35327e+01 5.13704e+02 51.535  2.64415e+01  3.32829e+01  0.00000e+00 0.00000e+00 4.00554e+02 51.535  1.13150e+02 231.535 0.9882 
1 1 1 1  3  20 o 17 1.08856e+02 3.07984e+01 6.30814e+01 159.134 -1.02989e+00 3.92580e-01  0.00000e+00 0.00000e+00 1.65730e+01 159.134 4.65084e+01 339.134 0.4814 
1 1 1 1  3  21 o 18 2.66111e+02 2.24518e+01 2.08018e+02 240.322 -4.58505e+00 -8.04558e+00 0.00000e+00 0.00000e+00 1.77924e+02 240.322 3.00941e+01 60.322  0.9444 
1 1 1 1  3  22 o 13 2.67882e+02 2.35880e+01 1.31918e+02 46.763  4.60888e+00  4.90169e+00  0.00000e+00 0.00000e+00 2.51680e+02 46.763  1.19762e+02 46.763  0.9224 
1 1 1 1  3  23 o 14 2.66087e+02 2.41995e+01 1.23877e+02 3.892   6.65777e+00  4.52985e-01  0.00000e+00 0.00000e+00 2.61218e+02 3.892   1.37341e+02 3.892   0.9217 
1 1 1 1  3  24 o 5  1.46087e+02 4.40877e+01 6.94758e+00 199.031 -1.75073e-01 -6.03891e-02 0.00000e+00 0.00000e+00 1.44548e+01 199.031 7.50727e+00 199.031 0.0922 
1 1 1 1  3  25 o 9  2.65889e+02 2.84643e+01 1.01261e+02 138.971 -4.46663e+00 3.88682e+00  0.00000e+00 0.00000e+00 2.88453e+02 138.971 1.87192e+02 138.971 0.9111 
1 1 1 1  3  26 o 11 2.00637e+02 3.61051e+01 1.12306e+02 143.542 -3.61559e+00 2.67129e+00  0.00000e+00 0.00000e+00 1.75466e+02 143.542 6.31600e+01 143.542 0.8802 
1 1 1 1  3  27 o 14 2.18385e+02 3.58618e+01 1.52023e+02 215.217 -5.16280e+00 -3.64424e+00 0.00000e+00 0.00000e+00 1.78712e+02 215.217 2.66888e+01 215.217 0.9171 
1 1 1 1  3  28 o 11 1.47390e+02 3.41849e+01 5.71009e+01 304.059 1.16499e+00  -1.72336e+00 0.00000e+00 0.00000e+00 1.18257e+02 304.059 6.11562e+01 304.059 0.7105 
1 1 1 1  3  29 o 15 2.25996e+02 2.79163e+01 1.57497e+02 24.561  9.81678e+00  4.48638e+00  0.00000e+00 0.00000e+00 2.08172e+02 24.561  5.06740e+01 24.561  0.9525 
1 1 1 1  3  30 o 11 9.30148e+01 3.38855e+01 7.95630e+01 199.616 -2.53535e+00 -9.03605e-01 0.00000e+00 0.00000e+00 4.62242e+01 199.616 3.33389e+01 19.616  0.7843 
1 1 1 1  3  31 o 7  1.45154e+02 3.51422e+01 7.25480e+01 331.755 3.26999e+00  -1.75668e+00 0.00000e+00 0.00000e+00 1.43855e+02 331.755 7.13069e+01 331.755 0.8515 
1 1 1 1  3  32 o 19 6.92692e+01 3.07684e+01 5.02095e+01 357.294 1.74820e+00  -8.26147e-02 0.00000e+00 0.00000e+00 3.01567e+01 357.294 2.00528e+01 177.294 0.6522 
1 1 1 1  3  33 o 6  1.12562e+02 4.35487e+01 7.17231e+01 154.911 -2.72205e+00 1.27448e+00  0.00000e+00 0.00000e+00 9.32382e+01 154.911 2.15151e+01 154.911 0.8104 
1 1 1 1  3  34 o 3  7.24245e+01 3.28602e+01 5.49314e+01 75.340  5.72023e-01  2.18657e+00  0.00000e+00 0.00000e+00 4.31310e+01 75.340  1.18004e+01 255.340 0.7362 
1 1 1 1  3  35 o 4  7.49063e+01 3.62124e+01 3.13921e+01 5.033   1.37869e+00  1.21426e-01  0.00000e+00 0.00000e+00 4.79711e+01 5.033   1.65790e+01 5.033   0.5661 
1 1 1 1  3  36 o 18 7.45537e+01 3.49925e+01 7.28674e+01 207.017 -3.10350e+00 -1.58251e+00 0.00000e+00 0.00000e+00 4.64865e+01 207.017 2.63810e+01 27.017  0.8402 
1 1 1 1  3  37 o 19 7.60588e+01 3.62001e+01 1.23720e+01 238.399 -3.13126e-01 -5.08958e-01 0.00000e+00 0.00000e+00 2.98721e+01 238.399 1.75001e+01 238.399 0.2862 
1 1 1 1  3  38 o 13 5.74108e+01 2.89009e+01 4.81547e+01 14.608  2.52181e+00  6.57252e-01  0.00000e+00 0.00000e+00 3.99616e+01 14.608  8.19301e+00 194.608 0.7761 
1 1 1 1  3  39 o 4  5.44176e+01 2.76426e+01 2.90313e+00 298.312 8.10902e-02  -1.50523e-01 0.00000e+00 0.00000e+00 6.44372e+00 298.312 3.54059e+00 298.312 0.0852 
1 1 1 1  3  40 o 15 5.13924e+01 2.62563e+01 1.15707e+01 351.352 7.15859e-01  -1.08874e-01 0.00000e+00 0.00000e+00 2.43969e+01 351.352 1.28262e+01 351.352 0.3402 
1 1 1 1  4  8  f 0  9.15523e+02 2.33858e+01 7.78462e+02 190.754 -1.43781e+01 -2.73081e+00 0.00000e+00 0.00000e+00 4.60175e+02 190.754 3.18288e+02 10.754  0.9652 
1 1 1 1  4  9  o 13 6.91810e+02 2.31963e+01 2.76710e+02 122.434 -2.32396e+00 3.65721e+00  0.00000e+00 0.00000e+00 5.75636e+02 122.434 2.98925e+02 122.434 0.8752 
1 1 1 1  4  10 o 6  9.98126e+02 2.53299e+01 8.76362e+02 34.659  2.20837e+01  1.52679e+01  0.00000e+00 0.00000e+00 5.08920e+02 34.659  3.67442e+02 214.659 0.9812 
1 1 1 1  4  11 o 17 8.23957e+02 2.66347e+01 4.98723e+02 17.939  1.02627e+01  3.32254e+00  0.00000e+00 0.00000e+00 6.17230e+02 17.939  1.18507e+02 17.939  0.9525 
1 1 1 1  4  12 o 10 1.31419e+03 5.69781e+01 9.62308e+02 161.157 -2.87424e+01 9.80859e+00  0.00000e+00 0.00000e+00 8.86120e+02 161.157 7.61881e+01 341.157 0.9834 
1 1 1 1  4  13 o 5  3.48372e+02 1.68464e+01 2.24451e+02 204.316 -2.93220e+00 -1.32490e+00 0.00000e+00 0.00000e+00 1.89151e+02 204.316 3.53009e+01 24.316  0.8249 
1 1 1 1  4  14 o 8  6.22620e+02 2.22152e+01 4.09821e+02 36.233  1.25953e+01  9.22960e+00  0.00000e+00 0.00000e+00 4.63057e+02 36.233  5.32359e+01 36.233  0.9674 
1 1 1 1  4  15 o 11 4.22224e+02 2.57906e+01 1.73890e+02 258.220 -9.90370e-01 -4.74901e+00 0.00000e+00 0.00000e+00 3.74550e+02 258.220 2.00660e+02 258.220 0.8898 
1 1 1 1  4  16 o 12 7.99189e+02 2.68006e+01 4.76349e+02 301.381 1.89178e+01  -3.10155e+01 0.00000e+00 0.00000e+00 6.83149e+02 301.381 2.06800e+02 301.381 0.9861 
1 1 1 1  4  17 o 7  3.82708e+02 1.85464e+01 1.21208e+02 261.194 -6.80288e-01 -4.39133e+00 0.00000e+00 0.00000e+00 3.77655e+02 261.194 2.56447e+02 261.194 0.8787 
1 1 1 1  4  18 o 18 3.17172e+02 1.83236e+01 1.54750e+02 93.553  -3.70109e-01 5.96133e+00  0.00000e+00 0.00000e+00 2.78150e+02 93.553  1.23400e+02 93.553  0.9119 
1 1 1 1  4  19 o 12 4.16993e+02 1.99676e+01 2.77679e+02 105.788 -4.24246e+00 1.50050e+01  0.00000e+00 0.00000e+00 3.31730e+02 105.788 5.40507e+01 105.788 0.9674 
1 1 1 1  4  20 o 19 2.26674e+02 2.14156e+01 1.30078e+02 291.551 1.82433e+00  -4.61924e+00 0.00000e+00 0.00000e+00 1.78603e+02 291.551 4.85245e+01 291.551 0.8926 
1 1 1 1  4  21 o 6  2.78738e+02 3.24327e+01 1.72776e+02 33.602  6.19864e+00  4.11875e+00  0.00000e+00 0.00000e+00 2.26891e+02 33.602  5.41148e+01 33.602  0.9302 
1 1 1 1  4  22 o 7  1.14337e+02 3.37001e+01 1.33249e+02 182.138 -2.64397e+00 -9.86840e-02 0.00000e+00 0.00000e+00 5.72004e+00 182.138 1.27529e+02 2.138   0.7800 
1 1 1 1  4  23 o 8  3.30520e+02 2.31199e+01 2.88781e+02 265.056 -1.76888e+00 -2.04494e+01 0.00000e+00 0.00000e+00 2.19296e+02 265.056 6.94850e+01 85.056  0.9753 
1 1 1 1  4  24 o 2  4.00654e+02 3.52045e+01 3.14272e+02 16.272  2.43771e+01  7.11530e+00  0.00000e+00 0.00000e+00 3.12011e+02 16.272  2.26063e+00 196.272 0.9801 
1 1 1 1  4  25 f 0  1.40480e+02 3.92887e+01 6.42013e+01 66.644  5.53907e-01  1.28273e+00  0.00000e+00 0.00000e+00 6.50207e+01 66.644  8.19404e-01 66.644  0.5697 
1 1 1 1  4  26 o 7  3.67052e+02 2.70224e+01 1.38919e+02 207.048 -9.92832e+00 -5.06915e+00 0.00000e+00 0.00000e+00 4.33839e+02 207.048 2.94920e+02 207.048 0.9540 
1 1 1 1  4  27 o 11 1.83247e+02 3.94027e+01 1.21799e+02 90.375  -2.65477e-02 4.05549e+00  0.00000e+00 0.00000e+00 1.41138e+02 90.375  1.93390e+01 90.375  0.8656 
1 1 1 1  4  28 o 9  1.61923e+02 3.32916e+01 7.86285e+01 160.452 -3.25811e+00 1.15683e+00  0.00000e+00 0.00000e+00 1.49668e+02 160.452 7.10399e+01 160.452 0.8388 
1 1 1 1  4  29 o 15 2.51707e+02 2.49001e+01 1.02568e+02 116.915 -4.14063e+00 8.15635e+00  0.00000e+00 0.00000e+00 3.02430e+02 116.915 1.99861e+02 116.915 0.9436 
1 1 1 1  4  30 o 15 6.97263e+01 2.98506e+01 3.56745e+01 278.797 1.59232e-01  -1.02895e+00 0.00000e+00 0.00000e+00 1.99313e+01 278.797 1.57431e+01 98.797  0.4608 
1 1 1 1  4  31 f 0  9.95605e+01 3.45093e+01 6.85996e+01 277.857 3.85823e-01  -2.79572e+00 0.00000e+00 0.00000e+00 7.06695e+01 277.857 2.06988e+00 277.857 0.7959 
1 1 1 1  4  32 o 2  1.66075e+02 3.24872e+01 1.03933e+02 35.292  6.73820e+00  4.76958e+00  0.00000e+00 0.00000e+00 1.74028e+02 35.292  7.00959e+01 35.292  0.9373 
1 1 1 1  4  33 o 10 1.13231e+02 4.43474e+01 6.75390e+01 0.072   2.77225e+00  3.49031e-03  0.00000e+00 0.00000e+00 9.51645e+01 0.072   2.76255e+01 0.072   0.7916 
1 1 1 1  4  34 f 0  7.00864e+01 3.23839e+01 7.23361e+01 168.077 -3.05324e+00 6.44682e-01  0.00000e+00 0.00000e+00 3.35673e+01 168.077 3.87687e+01 348.077 0.8185 
1 1 1 1  4  35 o 9  7.26891e+01 3.36202e+01 2.36689e+01 148.912 -9.60252e-01 5.78988e-01  0.00000e+00 0.00000e+00 4.29268e+01 148.912 1.92579e+01 148.912 0.4877 
1 1 1 1  4  36 o 7  6.67478e+01 3.34012e+01 1.52411e+01 143.301 -5.58580e-01 4.16338e-01  0.00000e+00 0.00000e+00 2.67274e+01 143.301 1.14863e+01 143.301 0.3288 
1 1 1 1  4  37 o 17 6.18003e+01 3.05692e+01 1.14908e+01 78.553  1.21754e-01  6.01272e-01  0.00000e+00 0.00000e+00 2.38005e+01 78.553  1.23097e+01 78.553  0.2932 
1 1 1 1  4  38 o 2  5.62233e+01 2.83059e+01 4.67151e+01 337.592 2.46303e+00  -1.01558e+00 0.00000e+00 0.00000e+00 4.05350e+01 337.592 6.18011e+00 157.592 0.7817 
1 1 1 1  4  39 o 1  5.42125e+01 2.75878e+01 1.77516e+01 308.667 6.58465e-01  -8.22857e-01 0.00000e+00 0.00000e+00 3.32898e+01 308.667 1.55382e+01 308.667 0.4652 
1 1 1 1  5  7  o 18 1.34591e+03 2.83929e+01 1.02749e+03 178.341 -2.98572e+01 8.64561e-01  0.00000e+00 0.00000e+00 8.29095e+02 178.341 1.98395e+02 358.341 0.9831 
1 1 1 1  5  8  o 19 1.07038e+03 2.66504e+01 5.81992e+02 85.156  9.70300e-01  1.14504e+01  0.00000e+00 0.00000e+00 8.58412e+02 85.156  2.76421e+02 85.156  0.9554 
1 1 1 1  5  9  f 0  1.20169e+03 3.62543e+01 5.78008e+02 320.142 1.09331e+01  -9.12788e+00 0.00000e+00 0.00000e+00 1.06096e+03 320.142 4.82955e+02 320.142 0.9642 
1 1 1 1  5  10 o 18 9.20112e+02 2.92470e+01 6.11143e+02 247.886 -6.01236e+00 -1.47960e+01 0.00000e+00 0.00000e+00 6.54970e+02 247.886 4.38277e+01 247.886 0.9682 
1 1 1 1  5  11 o 1  1.41270e+03 4.22952e+01 1.02805e+03 57.754  1.87591e+01  2.97354e+01  0.00000e+00 0.00000e+00 9.61545e+02 57.754  6.65062e+01 237.754 0.9857 
1 1 1 1  5  13 o 18 3.03216e+02 2.29554e+01 1.18477e+02 252.656 -5.90007e-01 -1.88913e+00 0.00000e+00 0.00000e+00 1.85995e+02 252.656 6.75181e+01 252.656 0.6943 
1 1 1 1  5  14 o 18 3.26343e+02 1.68786e+01 3.43769e+02 278.501 9.85203e-01  -6.59146e+00 0.00000e+00 0.00000e+00 9.41607e+01 278.501 2.49608e+02 98.501  0.9216 
1 1 1 1  5  15 o 3  3.70716e+02 1.75219e+01 3.19369e+02 244.841 -3.84265e+00 -8.18141e+00 0.00000e+00 0.00000e+00 1.93373e+02 244.841 1.25996e+02 64.841  0.9429 
1 1 1 1  5  16 o 13 2.13645e+02 1.71759e+01 1.43861e+02 158.979 -2.74071e+00 1.05320e+00  0.00000e+00 0.00000e+00 1.10432e+02 158.979 3.34290e+01 338.979 0.8051 
1 1 1 1  5  17 o 11 3.33274e+02 1.79955e+01 2.47590e+02 190.015 -7.86834e+00 -1.38958e+00 0.00000e+00 0.00000e+00 2.16994e+02 190.015 3.05959e+01 10.015  0.9352 
1 1 1 1  5  18 o 15 5.21417e+02 2.99571e+01 3.66821e+02 81.597  2.99565e+00  2.02789e+01  0.00000e+00 0.00000e+00 3.97955e+02 81.597  3.11339e+01 81.597  0.9753 
1 1 1 1  5  19 o 9  9.07550e+01 2.81343e+01 9.74583e+01 8.070   1.32882e+00  1.88407e-01  0.00000e+00 0.00000e+00 2.10529e+01 188.070 1.18511e+02 188.070 0.5546 
1 1 1 1  5  20 o 3  1.84845e+02 2.37171e+01 1.35636e+02 271.272 7.62645e-02  -3.43365e+00 0.00000e+00 0.00000e+00 1.01711e+02 271.272 3.39243e+01 91.272  0.8376 
1 1 1 1  5  21 o 17 2.01358e+02 3.46655e+01 2.14367e+02 355.322 7.93868e+00  -6.49598e-01 0.00000e+00 0.00000e+00 7.72278e+01 355.322 1.37139e+02 175.322 0.9349 
1 1 1 1  5  22 o 4  1.90267e+02 2.68665e+01 7.52920e+01 244.680 -1.22958e+00 -2.59883e+00 0.00000e+00 0.00000e+00 1.63134e+02 244.680 8.78421e+01 244.680 0.8003 
1 1 1 1  5  24 o 6  8.74498e+01 3.55660e+01 3.99820e+01 110.361 -2.40516e-01 6.48090e-01  0.00000e+00 0.00000e+00 5.77655e+00 110.361 3.42054e+01 290.361 0.3265 
1 1 1 1  5  25 o 12 2.43862e+02 3.17450e+01 1.89127e+02 349.032 7.45149e+00  -1.44409e+00 0.00000e+00 0.00000e+00 1.79464e+02 349.032 9.66288e+00 169.032 0.9316 
1 1 1 1  5  26 o 9  1.69629e+02 3.89822e+01 5.25122e+01 228.573 -1.05154e+00 -1.19160e+00 0.00000e+00 0.00000e+00 1.19615e+02 228.573 6.71031e+01 228.573 0.6174 
1 1 1 1  5  27 o 8  6.83498e+01 3.17209e+01 5.67931e+01 311.085 5.90186e-01  -6.76910e-01 0.00000e+00 0.00000e+00 1.02191e+01 131.085 6.70122e+01 131.085 0.4091 
1 1 1 1  5  28 o 8  1.63648e+02 3.13244e+01 1.07275e+02 67.199  1.89098e+00  4.49833e+00  0.00000e+00 0.00000e+00 1.38842e+02 67.199  3.15668e+01 67.199  0.8905 
1 1 1 1  5  29 o 19 1.23416e+02 3.49278e+01 7.56827e+01 208.227 -2.45513e+00 -1.31790e+00 0.00000e+00 0.00000e+00 9.19695e+01 208.227 1.62868e+01 208.227 0.7929 
1 1 1 1  5  30 o 1  8.01924e+01 3.18992e+01 5.15183e+01 303.384 9.05405e-01  -1.37396e+00 0.00000e+00 0.00000e+00 3.63495e+01 303.384 1.51688e+01 123.384 0.6301 
1 1 1 1  5  31 o 10 1.21918e+02 3.57660e+01 1.46142e+02 22.203  6.57493e+00  2.68362e+00  0.00000e+00 0.00000e+00 5.33648e+01 22.203  9.27773e+01 202.203 0.9266 
1 1 1 1  5  32 o 4  1.07053e+02 4.19457e+01 1.88445e+01 225.510 -4.91699e-01 -5.00539e-01 0.00000e+00 0.00000e+00 4.47073e+01 225.510 2.58628e+01 225.510 0.3309 
1 1 1 1  5  33 o 17 8.05634e+01 3.44131e+01 5.76169e+01 138.130 -1.76473e+00 1.58175e+00  0.00000e+00 0.00000e+00 5.25959e+01 138.130 5.02100e+00 318.130 0.7501 
1 1 1 1  5  34 o 18 7.44098e+01 3.34778e+01 2.39950e+01 301.804 5.54218e-01  -8.93728e-01 0.00000e+00 0.00000e+00 4.01021e+01 301.804 1.61072e+01 301.804 0.4644 
1 1 1 1  5  35 o 14 1.06989e+02 4.16184e+01 3.59110e+01 249.610 -6.51000e-01 -1.75143e+00 0.00000e+00 0.00000e+00 1.00392e+02 249.610 6.44806e+01 249.610 0.6750 
1 1 1 1  5  36 o 13 7.94323e+01 3.88032e+01 2.25625e+01 154.082 -8.83261e-01 4.29225e-01  0.00000e+00 0.00000e+00 4.45960e+01 154.082 2.20335e+01 154.082 0.4400 
1 1 1 1  5  37 o 7  7.35118e+01 3.49877e+01 3.83688e+01 29.254  1.70212e+00  9.53409e-01  0.00000e+00 0.00000e+00 6.08479e+01 29.254  2.24791e+01 29.254  0.6896 
1 1 1 1  5  38 o 11 6.95963e+01 3.41944e+01 4.88549e+00 273.303 1.44391e-02  -2.50165e-01 0.00000e+00 0.00000e+00 1.23725e+01 273.303 7.48706e+00 273.303 0.1243 
1 1 1 1  5  39 o 4  5.30087e+01 2.70004e+01 2.78778e+01 242.493 -7.71800e-01 -1.48214e+00 0.00000e+00 0.00000e+00 4.06523e+01 242.493 1.27746e+01 242.493 0.6357 
1 1 1 1  6  6  o 18 1.93777e+03 3.98401e+01 1.00796e+03 87.476  1.84782e+00  4.19171e+01  0.00000e+00 0.00000e+00 1.68532e+03 87.476  6.77360e+02 87.476  0.9880 
1 1 1 1  6  7  o 12 9.40242e+02 2.38462e+01 5.32966e+02 147.185 -7.98512e+00 5.14909e+00  0.00000e+00 0.00000e+00 7.22161e+02 147.185 1.89195e+02 147.185 0.9458 
1 1 1 1  6  8  o 3  9.08665e+02 2.84444e+01 6.07503e+02 238.071 -6.26920e+00 -1.00605e+01 0.00000e+00 0.00000e+00 6.24267e+02 238.071 1.67643e+01 238.071 0.9568 
1 1 1 1  6  9  o 13 1.50191e+03 3.62527e+01 9.61526e+02 19.297  4.02084e+01  1.40784e+01  0.00000e+00 0.00000e+00 1.15018e+03 19.297  1.88649e+02 19.297  0.9882 
1 1 1 1  6  10 o 14 3.45422e+02 2.36756e+01 3.08279e+02 38.752  2.16795e+00  1.74010e+00  0.00000e+00 0.00000e+00 8.29835e+01 38.752  2.25295e+02 218.752 0.7923 
1 1 1 1  6  11 o 8  2.55114e+02 2.27561e+01 1.45240e+02 33.738  7.79855e-01  5.20849e-01  0.00000e+00 0.00000e+00 1.01919e+01 33.738  1.35048e+02 213.738 0.4239 
1 1 1 1  6  12 o 9  7.51128e+02 2.49970e+01 4.38102e+02 317.090 9.95636e+00  -9.25524e+00 0.00000e+00 0.00000e+00 6.06990e+02 317.090 1.68889e+02 317.090 0.9625 
1 1 1 1  6  13 o 11 1.76067e+03 7.68786e+01 1.22175e+03 225.474 -6.55054e+01 -6.65984e+01 0.00000e+00 0.00000e+00 1.32581e+03 225.474 1.04054e+02 225.474 0.9946 
1 1 1 1  6  14 o 15 4.90373e+02 1.94520e+01 2.67938e+02 115.599 -3.90354e+00 8.14756e+00  0.00000e+00 0.00000e+00 4.09300e+02 115.599 1.41362e+02 115.599 0.9429 
1 1 1 1  6  15 o 12 4.64884e+02 1.90684e+01 4.48860e+02 51.586  9.49025e+00  1.19675e+01  0.00000e+00 0.00000e+00 2.14194e+02 51.586  2.34666e+02 231.586 0.9667 
1 1 1 1  6  16 o 16 5.02620e+02 2.01009e+01 2.56103e+02 128.931 -7.96526e+00 9.86051e+00  0.00000e+00 0.00000e+00 4.61180e+02 128.931 2.05078e+02 128.931 0.9597 
1 1 1 1  6  17 o 19 3.37817e+02 1.80880e+01 1.63532e+02 57.279  3.76079e+00  5.85338e+00  0.00000e+00 0.00000e+00 3.05038e+02 57.279  1.41506e+02 57.279  0.9251 
1 1 1 1  6  18 o 15 1.43940e+02 2.98523e+01 9.02378e+01 172.849 -1.34762e+00 1.69072e-01  0.00000e+00 0.00000e+00 3.14952e+01 172.849 5.87427e+01 352.849 0.5591 
1 1 1 1  6  19 o 4  1.17169e+02 3.44868e+01 1.31701e+02 168.848 -2.15083e+00 4.24009e-01  0.00000e+00 0.00000e+00 1.64598e+00 348.848 1.33347e+02 348.848 0.7269 
1 1 1 1  6  20 o 11 2.43896e+02 3.00411e+01 1.34185e+02 355.190 4.23091e+00  -3.56021e-01 0.00000e+00 0.00000e+00 1.93895e+02 355.190 5.97098e+01 355.190 0.8724 
1 1 1 1  6  21 o 13 1.31017e+02 3.94010e+01 1.33614e+02 325.444 2.49399e+00  -1.71769e+00 0.00000e+00 0.00000e+00 3.21485e+01 325.444 1.01466e+02 145.444 0.8121 
1 1 1 1  6  22 o 2  9.07338e+01 3.68396e+01 1.10429e+02 269.333 -2.14852e-02 -1.84483e+00 0.00000e+00 0.00000e+00 1.45963e+01 89.333  1.25025e+02 89.333  0.6706 
1 1 1 1  6  23 o 4  1.41041e+02 3.37406e+01 9.19422e+01 34.480  2.35802e+00  1.61942e+00  0.00000e+00 0.00000e+00 8.76013e+01 34.480  4.34092e+00 214.480 0.7991 
1 1 1 1  6  24 o 4  2.18311e+02 2.94729e+01 1.72665e+02 40.040  6.01645e+00  5.05560e+00  0.00000e+00 0.00000e+00 1.56029e+02 40.040  1.66360e+01 220.040 0.9340 
1 1 1 1  6  25 o 10 2.50914e+02 4.17324e+01 1.50663e+02 173.220 -6.03812e+00 7.17880e-01  0.00000e+00 0.00000e+00 2.23450e+02 173.220 7.27874e+01 173.220 0.9136 
1 1 1 1  6  26 o 12 8.88457e+01 3.74416e+01 8.76071e+01 150.140 -1.21426e+00 6.97104e-01  0.00000e+00 0.00000e+00 3.82115e+00 330.140 9.14283e+01 330.140 0.5705 
1 1 1 1  6  27 f 0  7.62940e+01 3.39515e+01 1.08950e+01 113.249 -7.32217e-02 1.70434e-01  0.00000e+00 0.00000e+00 9.09570e-01 113.249 9.98543e+00 293.249 0.0924 
1 1 1 1  6  28 o 6  1.12237e+02 3.57130e+01 8.50383e+01 199.660 -2.59587e+00 -9.27434e-01 0.00000e+00 0.00000e+00 6.56352e+01 199.660 1.94031e+01 19.660  0.7902 
1 1 1 1  6  29 o 4  6.98614e+01 3.00577e+01 4.73757e+01 75.245  2.81122e-01  1.06738e+00  0.00000e+00 0.00000e+00 1.06505e+01 75.245  3.67251e+01 255.245 0.4820 
1 1 1 1  6  30 o 13 1.55785e+02 3.02333e+01 1.02826e+02 342.786 6.21370e+00  -1.92512e+00 0.00000e+00 0.00000e+00 1.47753e+02 342.786 4.49269e+01 342.786 0.9196 
1 1 1 1  6  31 o 17 1.34415e+02 3.38668e+01 1.06325e+02 4.635   6.00982e+00  4.87258e-01  0.00000e+00 0.00000e+00 1.11623e+02 4.635   5.29863e+00 4.635   0.9128 
1 1 1 1  6  32 o 10 6.14612e+01 2.96272e+01 4.68111e+01 201.819 -1.27521e+00 -5.10546e-01 0.00000e+00 0.00000e+00 1.56724e+01 201.819 3.11387e+01 21.819  0.5633 
1 1 1 1  6  33 o 17 1.64353e+02 3.60636e+01 1.32180e+02 209.969 -9.34120e+00 -5.38632e+00 0.00000e+00 0.00000e+00 1.55001e+02 209.969 2.28203e+01 209.969 0.9524 
1 1 1 1  6  34 o 15 1.06738e+02 4.00715e+01 5.97671e+01 63.640  1.35358e+00  2.73152e+00  0.00000e+00 0.00000e+00 1.02250e+02 63.640  4.24829e+01 63.640  0.8135 
1 1 1 1  6  35 o 13 6.89570e+01 3.26055e+01 1.14682e+01 331.960 4.81161e-01  -2.56265e-01 0.00000e+00 0.00000e+00 2.29547e+01 331.960 1.14865e+01 331.960 0.2629 
1 1 1 1  6  36 o 19 7.95048e+01 3.88051e+01 2.16832e+01 328.444 8.00818e-01  -4.91811e-01 0.00000e+00 0.00000e+00 4.35744e+01 328.444 2.18912e+01 328.444 0.4246 
1 1 1 1  6  37 o 14 5.93484e+01 2.94488e+01 4.33023e+01 13.704  2.24420e+00  5.47260e-01  0.00000e+00 0.00000e+00 4.34734e+01 13.704  1.71097e-01 13.704  0.7426 
1 1 1 1  6  38 o 18 5.28433e+01 2.68626e+01 4.19635e+01 209.200 -2.09865e+00 -1.17288e+00 0.00000e+00 0.00000e+00 3.79962e+01 209.200 3.96726e+00 29.200  0.7542 
1 1 1 1  6  39 o 11 5.17457e+01 2.64325e+01 2.28719e+01 171.807 -1.38543e+00 1.99473e-01  0.00000e+00 0.00000e+00 3.75045e+01 171.807 1.46327e+01 171.807 0.5703 
1 1 1 1  7  4  o 19 6.56408e+02 1.56324e+01 1.81280e+02 76.079  5.10548e-01  2.05987e+00  0.00000e+00 0.00000e+00 4.81918e+02 76.079  3.00639e+02 76.079  0.7169 
1 1 1 1  7  5  o 18 7.39468e+02 1.70550e+01 6.12053e+02 203.973 -8.68572e+00 -3.86227e+00 0.00000e+00 0.00000e+00 3.75956e+02 203.973 2.36097e+02 23.973  0.9458 
1 1 1 1  7  6  o 12 1.54395e+03 3.71051e+01 9.41757e+02 66.865  1.05424e+01  2.46745e+01  0.00000e+00 0.00000e+00 1.20415e+03 66.865  2.62398e+02 66.865  0.9812 
1 1 1 1  7  7  o 13 5.82080e+02 1.67331e+01 4.34531e+02 80.109  9.43697e-01  5.41212e+00  0.00000e+00 0.00000e+00 3.13052e+02 80.109  1.21479e+02 260.109 0.9037 
1 1 1 1  7  8  f 0  1.49422e+03 4.41586e+01 9.99354e+02 271.300 1.00394e+00  -4.42258e+01 0.00000e+00 0.00000e+00 1.10803e+03 271.300 1.08677e+02 271.300 0.9886 
1 1 1 1  7  9  o 8  9.98459e+02 2.52202e+01 6.24350e+02 339.085 1.56270e+01  -5.97210e+00 0.00000e+00 0.00000e+00 7.62713e+02 339.085 1.38364e+02 339.085 0.9696 
1 1 1 1  7  10 o 15 9.94484e+02 2.52509e+01 6.97990e+02 146.770 -1.52138e+01 9.96707e+00  0.00000e+00 0.00000e+00 6.93725e+02 146.770 4.26438e+00 326.770 0.9721 
1 1 1 1  7  11 o 19 5.13906e+02 1.95657e+01 4.22353e+02 225.786 -6.56989e+00 -6.75270e+00 0.00000e+00 0.00000e+00 2.80734e+02 225.786 1.41619e+02 45.786  0.9453 
1 1 1 1  7  12 o 6  4.81300e+02 1.90277e+01 4.38356e+02 253.177 -3.36585e+00 -1.11323e+01 0.00000e+00 0.00000e+00 2.31414e+02 253.177 2.06942e+02 73.177  0.9560 
1 1 1 1  7  13 o 10 5.73427e+02 3.04694e+01 3.95746e+02 82.320  1.75801e+00  1.30367e+01  0.00000e+00 0.00000e+00 4.11654e+02 82.320  1.59080e+01 82.320  0.9612 
1 1 1 1  7  14 o 3  2.62288e+02 1.61204e+01 1.96491e+02 125.256 -2.30065e+00 3.25457e+00  0.00000e+00 0.00000e+00 1.37339e+02 125.256 5.91514e+01 305.256 0.8630 
1 1 1 1  7  15 o 2  4.78555e+02 1.93973e+01 3.14978e+02 177.390 -1.45247e+01 6.62192e-01  0.00000e+00 0.00000e+00 3.71103e+02 177.390 5.61252e+01 177.390 0.9650 
1 1 1 1  7  16 o 15 4.40579e+02 1.91222e+01 3.42764e+02 59.014  7.65366e+00  1.27449e+01  0.00000e+00 0.00000e+00 2.94347e+02 59.014  4.84165e+01 239.014 0.9658 
1 1 1 1  7  17 f 0  4.47499e+02 1.95343e+01 2.26955e+02 33.935  1.02149e+01  6.87312e+00  0.00000e+00 0.00000e+00 4.20657e+02 33.935  1.93703e+02 33.935  0.9585 
1 1 1 1  7  18 o 9  1.98789e+02 2.71716e+01 2.32332e+02 319.602 4.60048e+00  -3.91500e+00 0.00000e+00 0.00000e+00 4.41253e+01 319.602 1.88207e+02 139.602 0.9130 
1 1 1 1  7  19 o 17 2.25809e+02 2.87116e+01 2.03953e+02 221.942 -5.55594e+00 -4.99235e+00 0.00000e+00 0.00000e+00 1.19079e+02 221.942 8.48735e+01 41.942  0.9304 
1 1 1 1  7  20 o 16 8.97737e+01 3.45548e+01 3.85178e+01 113.757 -2.13879e-01 4.85918e-01  0.00000e+00 0.00000e+00 2.76071e+00 293.757 4.12785e+01 293.757 0.2565 
1 1 1 1  7  21 o 14 1.73052e+02 3.64368e+01 8.16765e+01 258.206 -4.94804e-01 -2.36976e+00 0.00000e+00 0.00000e+00 1.23601e+02 258.206 4.19249e+01 258.206 0.7561 
1 1 1 1  7  22 o 9  2.69320e+02 3.21509e+01 1.68548e+02 138.891 -6.49856e+00 5.67093e+00  0.00000e+00 0.00000e+00 2.33001e+02 138.891 6.44533e+01 138.891 0.9401 
1 1 1 1  7  23 o 16 4.89640e+02 3.38170e+01 2.83599e+02 302.423 1.54763e+01  -2.43652e+01 0.00000e+00 0.00000e+00 4.88087e+02 302.423 2.04488e+02 302.423 0.9825 
1 1 1 1  7  24 o 8  2.59570e+02 3.97311e+01 1.08044e+02 51.615  3.39728e+00  4.28865e+00  0.00000e+00 0.00000e+00 2.72533e+02 51.615  1.64489e+02 51.615  0.9033 
1 1 1 1  7  25 o 18 3.61888e+02 3.72662e+01 1.05585e+02 131.950 -5.07501e+00 5.64622e+00  0.00000e+00 0.00000e+00 4.48452e+02 131.950 3.42867e+02 131.950 0.9316 
1 1 1 1  7  26 o 13 3.90319e+02 2.64805e+01 1.57917e+02 297.046 5.85808e+00  -1.14743e+01 0.00000e+00 0.00000e+00 4.66075e+02 297.046 3.08158e+02 297.046 0.9604 
1 1 1 1  7  27 o 8  2.47366e+02 2.65054e+01 1.53625e+02 49.702  6.81406e+00  8.03546e+00  0.00000e+00 0.00000e+00 2.43363e+02 49.702  8.97387e+01 49.702  0.9513 
1 1 1 1  7  28 o 5  1.36595e+02 3.45840e+01 2.97473e+01 338.678 1.04824e+00  -4.09156e-01 0.00000e+00 0.00000e+00 8.45158e+01 338.678 5.47684e+01 338.678 0.4890 
1 1 1 1  7  29 o 14 6.04084e+01 2.71395e+01 4.41580e+01 293.184 4.43895e-01  -1.03650e+00 0.00000e+00 0.00000e+00 7.18425e+00 293.184 3.69737e+01 113.184 0.4898 
1 1 1 1  7  30 o 7  1.12831e+02 3.40803e+01 2.69189e+01 135.177 -7.84814e-01 7.79975e-01  0.00000e+00 0.00000e+00 6.90414e+01 135.177 4.21225e+01 135.177 0.4828 
1 1 1 1  7  31 o 19 7.32287e+01 3.07808e+01 5.30746e+01 205.752 -1.72456e+00 -8.31918e-01 0.00000e+00 0.00000e+00 3.64211e+01 205.752 1.66535e+01 25.752  0.6833 
1 1 1 1  7  32 o 10 1.70129e+02 4.43891e+01 9.79481e+01 171.151 -5.45804e+00 8.49741e-01  0.00000e+00 0.00000e+00 1.81632e+02 171.151 8.36842e+01 171.151 0.9043 
1 1 1 1  7  33 o 12 1.37221e+02 3.88103e+01 5.42263e+01 328.399 2.85941e+00  -1.75920e+00 0.00000e+00 0.00000e+00 1.57009e+02 328.399 1.02782e+02 328.399 0.8333 
1 1 1 1  7  34 o 1  8.61920e+01 3.68064e+01 3.42152e+01 191.545 -1.58266e+00 -3.23289e-01 0.00000e+00 0.00000e+00 6.67352e+01 191.545 3.25200e+01 191.545 0.6234 
1 1 1 1  7  35 o 12 9.24898e+01 3.95120e+01 2.25200e+01 121.993 -5.70306e-01 9.12912e-01  0.00000e+00 0.00000e+00 6.10839e+01 121.993 3.85639e+01 121.993 0.4728 
1 1 1 1  7  36 o 15 5.43141e+01 2.71644e+01 1.16185e+01 19.043  5.56017e-01  1.91916e-01  0.00000e+00 0.00000e+00 1.82011e+01 19.043  6.58259e+00 19.043  0.2821 
1 1 1 1  7  37 o 19 6.57827e+01 3.31238e+01 1.61336e+01 349.004 7.71501e-01  -1.49907e-01 0.00000e+00 0.00000e+00 3.15263e+01 349.004 1.53926e+01 349.004 0.3654 
1 1 1 1  7  38 o 15 5.50894e+01 2.78840e+01 1.50342e+01 0.526   8.87324e-01  8.14013e-03  0.00000e+00 0.00000e+00 3.00492e+01 0.526   1.50150e+01 0.526   0.4051 
1 1 1 1  7  39 o 1  4.75686e+01 2.44368e+01 1.32484e+01 106.819 -2.51148e-01 8.30864e-01  0.00000e+00 0.00000e+00 2.57193e+01 106.819 1.24710e+01 106.819 0.3977 
1 1 1 1  8  0  o 2  4.50496e+02 1.76099e+01 3.50560e+02 90.000  -1.21744e-07 1.39259e+00  0.00000e+00 0.00000e+00 2.12784e+02 90.000  1.37776e+02 270.000 0.8837 
1 1 1 1  8  1  o 8  1.21368e+03 2.55691e+01 8.77486e+02 75.383  6.09013e+00  2.33515e+01  0.00000e+00 0.00000e+00 8.04345e+02 75.383  7.31406e+01 255.383 0.9791 
1 1 1 1  8  2  o 7  1.23652e+03 2.60482e+01 7.51549e+02 240.190 -1.00992e+01 -1.76271e+01 0.00000e+00 0.00000e+00 9.56237e+02 240.190 2.04688e+02 240.190 0.9751 
1 1 1 1  8  3  o 6  9.38089e+02 2.42675e+01 7.25776e+02 209.427 -1.22700e+01 -6.92139e+00 0.00000e+00 0.00000e+00 5.56518e+02 209.427 1.69258e+02 29.427  0.9638 
1 1 1 1  8  4  f 0  8.74918e+02 1.96093e+01 2.01337e+02 57.213  1.83905e+00  2.85506e+00  0.00000e+00 0.00000e+00 8.37192e+02 57.213  6.35855e+02 57.213  0.8355 
1 1 1 1  8  5  o 19 1.29563e+03 2.76930e+01 9.76051e+02 320.901 2.25304e+01  -1.83091e+01 0.00000e+00 0.00000e+00 8.36820e+02 320.901 1.39231e+02 140.901 0.9826 
1 1 1 1  8  6  o 3  8.03985e+02 2.10392e+01 6.12693e+02 99.763  -1.75203e+00 1.01825e+01  0.00000e+00 0.00000e+00 4.78273e+02 99.763  1.34419e+02 279.763 0.9503 
1 1 1 1  8  7  f 0  5.33465e+02 1.58970e+01 2.36825e+02 283.174 8.72947e-01  -3.72953e+00 0.00000e+00 0.00000e+00 4.17876e+02 283.174 1.81051e+02 283.174 0.8567 
1 1 1 1  8  8  o 19 4.20838e+02 1.70783e+01 2.79086e+02 313.031 2.16900e+00  -2.32341e+00 0.00000e+00 0.00000e+00 2.18588e+02 313.031 6.04978e+01 133.031 0.8224 
1 1 1 1  8  9  o 18 3.83904e+02 1.69387e+01 3.81226e+02 155.452 -3.55929e+00 1.62565e+00  0.00000e+00 0.00000e+00 9.56403e+01 155.452 2.85586e+02 335.452 0.8601 
1 1 1 1  8  10 o 17 3.76133e+02 1.36475e+01 2.58739e+02 183.844 -4.33756e+00 -2.91436e-01 0.00000e+00 0.00000e+00 2.19220e+02 183.844 3.95193e+01 3.844   0.8757 
1 1 1 1  8  11 o 15 9.02571e+02 2.87034e+01 5.12060e+02 150.073 -2.23017e+01 1.28380e+01  0.00000e+00 0.00000e+00 7.78813e+02 150.073 2.66753e+02 150.073 0.9804 
1 1 1 1  8  12 o 8  2.40892e+02 1.56916e+01 1.13537e+02 351.831 1.67188e+00  -2.40006e-01 0.00000e+00 0.00000e+00 1.12509e+02 351.831 1.02764e+00 171.831 0.6395 
1 1 1 1  8  13 o 12 9.67820e+02 3.07447e+01 5.59158e+02 53.678  2.11708e+01  2.87973e+01  0.00000e+00 0.00000e+00 8.49804e+02 53.678  2.90646e+02 53.678  0.9859 
1 1 1 1  8  14 o 13 6.04675e+02 3.17390e+01 3.87913e+02 103.824 -5.36887e+00 2.18193e+01  0.00000e+00 0.00000e+00 4.90823e+02 103.824 1.02910e+02 103.824 0.9775 
1 1 1 1  8  15 o 1  3.69938e+02 1.77019e+01 2.27323e+02 262.148 -1.14231e+00 -8.28291e+00 0.00000e+00 0.00000e+00 2.92433e+02 262.148 6.51096e+01 262.148 0.9381 
1 1 1 1  8  16 o 14 5.69572e+02 2.16899e+01 3.23559e+02 354.449 2.29755e+01  -2.23311e+00 0.00000e+00 0.00000e+00 5.17304e+02 354.449 1.93745e+02 354.449 0.9781 
1 1 1 1  8  17 o 17 4.52685e+02 2.74964e+01 3.88725e+02 258.041 -3.90014e+00 -1.84128e+01 0.00000e+00 0.00000e+00 2.81694e+02 258.041 1.07031e+02 78.041  0.9731 
1 1 1 1  8  18 o 17 2.08552e+02 2.73461e+01 1.15050e+02 125.974 -2.13378e+00 2.93975e+00  0.00000e+00 0.00000e+00 1.56419e+02 125.974 4.13693e+01 125.974 0.8477 
1 1 1 1  8  19 o 14 4.17375e+02 2.86066e+01 3.18835e+02 27.193  1.57535e+01  8.09371e+00  0.00000e+00 0.00000e+00 3.09507e+02 27.193  9.32718e+00 207.193 0.9713 
1 1 1 1  8  20 o 3  2.13887e+02 3.06782e+01 2.20807e+02 188.993 -8.94985e+00 -1.41643e+00 0.00000e+00 0.00000e+00 9.49150e+01 188.993 1.25892e+02 8.993   0.9431 
1 1 1 1  8  21 o 18 1.52421e+02 3.72955e+01 1.04670e+02 291.451 1.06300e+00  -2.70536e+00 0.00000e+00 0.00000e+00 8.88525e+01 291.451 1.58177e+01 111.451 0.8028 
1 1 1 1  8  22 f 0  1.27847e+02 3.91665e+01 1.15179e+02 105.408 -7.15742e-01 2.59708e+00  0.00000e+00 0.00000e+00 4.51712e+01 105.408 7.00079e+01 285.408 0.7845 
1 1 1 1  8  23 o 4  1.38689e+02 4.39442e+01 1.55549e+02 77.927  8.11977e-01  3.79613e+00  0.00000e+00 0.00000e+00 3.70439e+01 77.927  1.18505e+02 257.927 0.8588 
1 1 1 1  8  24 o 5  2.12208e+02 3.03852e+01 2.18627e+02 200.656 -7.30736e+00 -2.75485e+00 0.00000e+00 0.00000e+00 1.05532e+02 200.656 1.13095e+02 20.656  0.9336 
1 1 1 1  8  25 o 4  2.02635e+02 3.22637e+01 7.19284e+01 255.057 -7.81251e-01 -2.92737e+00 0.00000e+00 0.00000e+00 2.00698e+02 255.057 1.28770e+02 255.057 0.8122 
1 1 1 1  8  26 o 1  3.37362e+02 3.91518e+01 1.73965e+02 7.695   1.06467e+01  1.43851e+00  0.00000e+00 0.00000e+00 3.65103e+02 7.695   1.91138e+02 7.695   0.9523 
1 1 1 1  8  27 o 13 2.36026e+02 3.98673e+01 1.61402e+02 200.606 -8.75826e+00 -3.29312e+00 0.00000e+00 0.00000e+00 2.17884e+02 200.606 5.64814e+01 200.606 0.9449 
1 1 1 1  8  28 o 9  8.83866e+01 3.40690e+01 1.07931e+02 331.684 2.57218e+00  -1.38589e+00 0.00000e+00 0.00000e+00 1.46103e+01 331.684 9.33204e+01 151.684 0.8040 
1 1 1 1  8  29 o 9  1.07396e+02 3.33946e+01 7.91070e+01 3.640   3.29844e+00  2.09856e-01  0.00000e+00 0.00000e+00 7.68682e+01 3.640   2.23874e+00 183.640 0.8302 
1 1 1 1  8  30 o 6  7.24071e+01 3.05030e+01 4.28086e+01 154.396 -1.28298e+00 6.14812e-01  0.00000e+00 0.00000e+00 3.12974e+01 154.396 1.15112e+01 334.396 0.5764 
1 1 1 1  8  31 o 15 1.18001e+02 4.18878e+01 1.20350e+02 144.805 -4.27925e+00 3.01808e+00  0.00000e+00 0.00000e+00 7.08360e+01 144.805 4.95141e+01 324.805 0.8986 
1 1 1 1  8  32 o 17 1.18896e+02 3.70338e+01 5.03452e+01 167.371 -2.63846e+00 5.91147e-01  0.00000e+00 0.00000e+00 1.20736e+02 167.371 7.03905e+01 167.371 0.7855 
1 1 1 1  8  33 o 13 1.23193e+02 4.03419e+01 9.58086e+01 61.261  2.49879e+00  4.55684e+00  0.00000e+00 0.00000e+00 1.10146e+02 61.261  1.43373e+01 61.261  0.8978 
1 1 1 1  8  34 o 9  8.58513e+01 3.69097e+01 2.46349e+01 260.821 -1.92276e-01 -1.18992e+00 0.00000e+00 0.00000e+00 5.90104e+01 260.821 3.43755e+01 260.821 0.5144 
1 1 1 1  8  35 o 5  6.67043e+01 3.19577e+01 3.37022e+01 314.486 1.12796e+00  -1.14839e+00 0.00000e+00 0.00000e+00 4.62692e+01 314.486 1.25669e+01 314.486 0.6221 
1 1 1 1  8  36 o 10 6.82585e+01 3.27187e+01 3.16870e+01 348.365 1.57122e+00  -3.23526e-01 0.00000e+00 0.00000e+00 5.14586e+01 348.365 1.97716e+01 348.365 0.6209 
1 1 1 1  8  37 o 5  6.37109e+01 3.22807e+01 4.70878e+01 226.950 -1.60979e+00 -1.72328e+00 0.00000e+00 0.00000e+00 4.82320e+01 226.950 1.14420e+00 226.950 0.7487 
1 1 1 1  8  38 o 8  5.22786e+01 2.66052e+01 2.39050e+01 212.788 -1.20915e+00 -7.78888e-01 0.00000e+00 0.00000e+00 3.79016e+01 212.788 1.39966e+01 212.788 0.5805 
1 1 1 1  8  39 o 17 6.61361e+01 3.30770e+01 1.30335e+01 350.261 6.81285e-01  -1.16929e-01 0.00000e+00 0.00000e+00 3.18057e+01 350.261 1.87722e+01 350.261 0.3265 
1 1 1 1  9  0  o 7  1.21178e+03 3.62966e+01 6.80743e+02 270.000 -4.70111e-16 -7.67750e+00 0.00000e+00 0.00000e+00 1.04955e+03 270.000 3.68807e+02 270.000 1.0000 
1 1 1 1  9  1  o 7  2.15197e+02 9.61343e+00 4.60311e+02 212.722 -2.02514e+00 -1.30124e+00 0.00000e+00 0.00000e+00 2.28408e+02 32.722  6.88719e+02 32.722  0.7545 
1 1 1 1  9  2  o 13 1.83556e+02 9.45132e+00 2.42252e+02 41.998  7.80510e-01  7.02713e-01  0.00000e+00 0.00000e+00 1.20540e+02 221.997 3.62791e+02 221.997 0.4639 
1 1 1 1  9  3  o 13 1.23014e+03 3.01415e+01 7.20615e+02 89.949  1.74342e-02  1.97421e+01  0.00000e+00 0.00000e+00 9.94704e+02 89.949  2.74089e+02 89.949  0.9743 
1 1 1 1  9  4  o 13 6.88411e+02 1.88600e+01 3.54167e+02 208.266 -4.54409e+00 -2.44323e+00 0.00000e+00 0.00000e+00 5.31079e+02 208.266 1.76912e+02 208.266 0.8970 
1 1 1 1  9  5  f 0  5.84783e+02 1.66983e+01 1.88921e+02 265.028 -3.01119e-01 -3.46154e+00 0.00000e+00 0.00000e+00 5.16725e+02 265.028 3.27804e+02 265.028 0.8398 
1 1 1 1  9  6  o 13 9.80164e+02 2.46270e+01 6.83505e+02 6.628   1.91807e+01  2.22872e+00  0.00000e+00 0.00000e+00 6.91756e+02 6.628   8.25131e+00 6.628   0.9738 
1 1 1 1  9  7  o 8  8.73574e+02 2.74507e+01 3.40541e+02 200.798 -7.27254e+00 -2.76231e+00 0.00000e+00 0.00000e+00 8.38130e+02 200.798 4.97589e+02 200.798 0.9333 
1 1 1 1  9  8  o 18 6.67730e+02 1.84396e+01 6.13475e+02 158.330 -1.00583e+01 3.99661e+00  0.00000e+00 0.00000e+00 3.09574e+02 158.330 3.03901e+02 338.330 0.9526 
1 1 1 1  9  9  o 15 9.09838e+02 2.33750e+01 5.87171e+02 49.226  1.54209e+01  1.78820e+01  0.00000e+00 0.00000e+00 7.10402e+02 49.226  1.23231e+02 49.226  0.9786 
1 1 1 1  9  10 o 7  5.10134e+02 1.57906e+01 3.91591e+02 218.961 -8.94855e+00 -7.23622e+00 0.00000e+00 0.00000e+00 3.22196e+02 218.961 6.93957e+01 38.961  0.9555 
1 1 1 1  9  11 o 6  1.97697e+02 1.56316e+01 1.95683e+02 234.755 -1.40359e+00 -1.98642e+00 0.00000e+00 0.00000e+00 2.47546e+01 234.755 1.70929e+02 54.755  0.7574 
1 1 1 1  9  12 o 1  9.14937e+02 2.92279e+01 5.54533e+02 52.571  2.09269e+01  2.73421e+01  0.00000e+00 0.00000e+00 7.80391e+02 52.571  2.25859e+02 52.571  0.9854 
1 1 1 1  9  13 o 16 3.65584e+02 1.72976e+01 3.30252e+02 82.849  1.13075e+00  9.01284e+00  0.00000e+00 0.00000e+00 1.83568e+02 82.849  1.46684e+02 262.849 0.9432 
1 1 1 1  9  14 o 2  2.50858e+02 2.42189e+01 1.25916e+02 52.375  1.93628e+00  2.51206e+00  0.00000e+00 0.00000e+00 1.83412e+02 52.375  5.74957e+01 52.375  0.8219 
1 1 1 1  9  15 o 1  4.53471e+02 1.91490e+01 3.21702e+02 277.107 1.76262e+00  -1.41364e+01 0.00000e+00 0.00000e+00 3.39099e+02 277.107 1.73966e+01 277.107 0.9642 
1 1 1 1  9  16 o 14 6.14667e+02 2.27601e+01 5.30905e+02 264.462 -3.55302e+00 -3.66471e+01 0.00000e+00 0.00000e+00 3.92500e+02 264.462 1.38405e+02 84.462  0.9863 
1 1 1 1  9  17 o 9  2.71599e+02 2.48434e+01 2.41199e+02 176.588 -8.68378e+00 5.17776e-01  0.00000e+00 0.00000e+00 1.51170e+02 176.588 9.00286e+01 356.588 0.9406 
1 1 1 1  9  18 o 17 3.10595e+02 2.65356e+01 2.54885e+02 125.057 -7.53692e+00 1.07410e+01  0.00000e+00 0.00000e+00 2.07650e+02 125.057 4.72354e+01 305.057 0.9611 
1 1 1 1  9  19 o 19 2.63672e+02 2.79567e+01 3.10338e+02 357.374 1.33270e+01  -6.11211e-01 0.00000e+00 0.00000e+00 8.62702e+01 357.374 2.24068e+02 177.374 0.9618 
1 1 1 1  9  20 o 14 6.89171e+01 2.98245e+01 9.81920e+01 342.114 1.18568e+00  -3.82655e-01 0.00000e+00 0.00000e+00 4.08530e+01 162.114 1.39045e+02 162.114 0.5268 
1 1 1 1  9  21 o 10 2.34660e+02 3.04896e+01 2.45964e+02 136.115 -8.13715e+00 7.82657e+00  0.00000e+00 0.00000e+00 1.11530e+02 136.115 1.34434e+02 316.115 0.9546 
1 1 1 1  9  22 o 5  1.61937e+02 3.90499e+01 1.72480e+02 270.774 7.78123e-02  -5.75886e+00 0.00000e+00 0.00000e+00 6.48486e+01 270.774 1.07631e+02 90.774  0.9085 
1 1 1 1  9  23 o 2  1.63110e+02 4.48029e+01 1.32135e+02 13.140  3.88155e+00  9.06087e-01  0.00000e+00 0.00000e+00 9.75395e+01 13.140  3.45952e+01 193.139 0.8630 
1 1 1 1  9  24 o 2  3.83737e+02 3.59150e+01 1.56429e+02 173.739 -1.02465e+01 1.12410e+00  0.00000e+00 0.00000e+00 4.45602e+02 173.739 2.89173e+02 173.739 0.9502 
1 1 1 1  9  25 o 17 3.59075e+02 3.79472e+01 1.90558e+02 234.845 -7.08627e+00 -1.00622e+01 0.00000e+00 0.00000e+00 3.84760e+02 234.845 1.94202e+02 234.845 0.9585 
1 1 1 1  9  26 o 8  3.21443e+02 3.73495e+01 1.95081e+02 77.800  2.84700e+00  1.31676e+01  0.00000e+00 0.00000e+00 3.28605e+02 77.800  1.33524e+02 77.800  0.9621 
1 1 1 1  9  27 o 6  6.79870e+01 3.00523e+01 5.51129e+01 263.461 -1.36674e-01 -1.19232e+00 0.00000e+00 0.00000e+00 4.71836e+00 263.461 5.03946e+01 83.461  0.5128 
1 1 1 1  9  28 o 5  1.83398e+02 2.83184e+01 1.14635e+02 223.980 -5.24338e+00 -5.05997e+00 0.00000e+00 0.00000e+00 1.81699e+02 223.980 6.70634e+01 223.980 0.9286 
1 1 1 1  9  29 o 6  8.07207e+01 3.15859e+01 4.83466e+01 40.101  1.18568e+00  9.98473e-01  0.00000e+00 0.00000e+00 3.83264e+01 40.101  1.00202e+01 220.101 0.6083 
1 1 1 1  9  30 o 7  1.09680e+02 4.09491e+01 8.49185e+01 58.337  1.72659e+00  2.79965e+00  0.00000e+00 0.00000e+00 7.80472e+01 58.337  6.87126e+00 238.337 0.8293 
1 1 1 1  9  31 o 9  7.99790e+01 3.53332e+01 1.52050e+01 164.837 -4.85805e-01 1.31656e-01  0.00000e+00 0.00000e+00 2.03040e+01 164.837 5.09896e+00 164.837 0.2440 
1 1 1 1  9  32 o 15 7.49915e+01 3.24860e+01 3.10248e+01 328.001 1.07111e+00  -6.69283e-01 0.00000e+00 0.00000e+00 4.27074e+01 328.001 1.16826e+01 328.001 0.5319 
1 1 1 1  9  33 o 10 6.61535e+01 3.08424e+01 2.19113e+01 129.323 -5.95497e-01 7.26954e-01  0.00000e+00 0.00000e+00 3.08747e+01 129.323 8.96339e+00 129.323 0.4246 
1 1 1 1  9  34 o 16 7.28619e+01 3.39007e+01 4.29173e+01 137.389 -1.52077e+00 1.39894e+00  0.00000e+00 0.00000e+00 5.57247e+01 137.389 1.28074e+01 137.389 0.7084 
1 1 1 1  9  35 o 8  7.27093e+01 3.40251e+01 1.50369e+01 291.297 2.62361e-01  -6.73016e-01 0.00000e+00 0.00000e+00 3.29674e+01 291.297 1.79305e+01 291.297 0.3395 
1 1 1 1  9  36 o 16 6.58123e+01 3.18820e+01 1.32567e+01 329.416 6.00908e-01  -3.55147e-01 0.00000e+00 0.00000e+00 2.96561e+01 329.416 1.63995e+01 329.416 0.3293 
1 1 1 1  9  37 o 7  6.37747e+01 3.15721e+01 1.85382e+01 39.507  7.64811e-01  6.30624e-01  0.00000e+00 0.00000e+00 3.84732e+01 39.507  1.99351e+01 39.507  0.4433 
1 1 1 1  9  38 o 7  5.08198e+01 2.59826e+01 2.28760e+01 234.404 -8.00931e-01 -1.11891e+00 0.00000e+00 0.00000e+00 3.60249e+01 234.404 1.31489e+01 234.404 0.5640 
1 1 1 1  9  39 o 14 5.36768e+01 2.74193e+01 2.32197e+01 206.045 -1.24695e+00 -6.09407e-01 0.00000e+00 0.00000e+00 4.05738e+01 206.045 1.73541e+01 206.045 0.5672 
1 1 1 1  10 0  o 9  1.08721e+03 3.30342e+01 8.78436e+02 90.000  -1.34280e-06 1.53598e+01  0.00000e+00 0.00000e+00 6.89783e+02 90.000  1.88653e+02 270.000 1.0000 
1 1 1 1  10 1  o 10 7.20453e+02 1.67222e+01 5.10557e+02 226.117 -8.18805e+00 -8.51382e+00 0.00000e+00 0.00000e+00 4.83885e+02 226.117 2.66727e+01 46.117  0.9567 
1 1 1 1  10 2  o 14 5.52312e+02 1.39635e+01 5.09383e+02 247.038 -3.45084e+00 -8.14459e+00 0.00000e+00 0.00000e+00 2.41561e+02 247.038 2.67822e+02 67.038  0.9417 
1 1 1 1  10 3  o 16 4.30358e+02 1.41445e+01 3.68572e+02 64.826  2.04356e+00  4.34786e+00  0.00000e+00 0.00000e+00 1.84311e+02 64.826  1.84261e+02 244.826 0.8886 
1 1 1 1  10 4  o 6  2.89538e+02 2.17485e+01 1.94808e+02 19.854  1.52033e+00  5.48978e-01  0.00000e+00 0.00000e+00 6.66920e+01 19.854  1.28116e+02 199.854 0.6236 
1 1 1 1  10 5  o 18 7.33528e+02 1.96595e+01 6.07062e+02 269.244 -1.57618e-01 -1.19383e+01 0.00000e+00 0.00000e+00 4.12077e+02 269.244 1.94985e+02 89.244  0.9572 
1 1 1 1  10 6  o 14 3.48627e+02 1.59839e+01 1.73295e+02 96.094  -1.61041e-01 1.50835e+00  0.00000e+00 0.00000e+00 1.31325e+02 96.094  4.19697e+01 276.094 0.6003 
1 1 1 1  10 7  o 15 2.31752e+02 1.38569e+01 9.73938e+01 323.775 4.66334e-01  -3.41620e-01 0.00000e+00 0.00000e+00 3.44196e+00 143.775 1.00836e+02 143.775 0.2776 
1 1 1 1  10 8  o 17 1.62381e+02 1.13608e+01 3.33070e+01 180.498 -2.37466e-01 -2.06574e-03 0.00000e+00 0.00000e+00 5.24088e+00 0.498   3.85479e+01 0.498   0.1179 
1 1 1 1  10 9  o 7  7.34599e+02 1.98111e+01 4.81581e+02 88.196  6.32142e-01  2.00755e+01  0.00000e+00 0.00000e+00 5.72618e+02 88.196  9.10372e+01 88.196  0.9748 
1 1 1 1  10 10 o 9  6.89290e+02 1.90727e+01 4.02548e+02 50.895  1.09524e+01  1.34746e+01  0.00000e+00 0.00000e+00 5.87286e+02 50.895  1.84738e+02 50.895  0.9708 
1 1 1 1  10 11 o 7  1.92805e+02 1.56756e+01 1.82573e+02 334.414 2.24164e+00  -1.07333e+00 0.00000e+00 0.00000e+00 3.63101e+01 334.414 1.46263e+02 154.414 0.7634 
1 1 1 1  10 12 o 3  4.34042e+02 1.82419e+01 2.05651e+02 12.973  6.62802e+00  1.52696e+00  0.00000e+00 0.00000e+00 3.93748e+02 12.973  1.88097e+02 12.973  0.9232 
1 1 1 1  10 13 o 6  3.06794e+02 1.64247e+01 1.95908e+02 338.867 5.46939e+00  -2.11413e+00 0.00000e+00 0.00000e+00 2.24413e+02 338.867 2.85053e+01 338.867 0.9102 
1 1 1 1  10 14 o 6  2.02465e+02 2.54577e+01 1.28310e+02 137.941 -1.88710e+00 1.70265e+00  0.00000e+00 0.00000e+00 1.07789e+02 137.941 2.05202e+01 317.941 0.7695 
1 1 1 1  10 15 o 3  3.33896e+02 1.74966e+01 3.04207e+02 161.635 -1.20549e+01 4.00187e+00  0.00000e+00 0.00000e+00 1.85035e+02 161.635 1.19172e+02 341.635 0.9598 
1 1 1 1  10 16 o 6  5.42508e+02 2.12050e+01 3.62004e+02 193.163 -2.65509e+01 -6.20923e+00 0.00000e+00 0.00000e+00 4.57258e+02 193.163 9.52544e+01 193.163 0.9815 
1 1 1 1  10 17 o 11 2.41518e+02 1.86189e+01 1.43956e+02 53.430  3.27422e+00  4.41364e+00  0.00000e+00 0.00000e+00 1.94682e+02 53.430  5.07255e+01 53.430  0.9037 
1 1 1 1  10 18 o 5  9.69165e+01 3.27992e+01 2.61649e+02 12.373  3.20939e+00  7.04072e-01  0.00000e+00 0.00000e+00 1.35881e+02 192.373 3.97529e+02 192.373 0.8291 
1 1 1 1  10 19 o 8  1.58787e+02 3.22268e+01 1.08225e+02 268.045 -1.11110e-01 -3.25572e+00 0.00000e+00 0.00000e+00 9.93350e+01 268.045 8.88992e+00 88.045  0.8274 
1 1 1 1  10 20 o 12 2.34849e+02 2.86315e+01 9.70546e+01 155.503 -4.14191e+00 1.88731e+00  0.00000e+00 0.00000e+00 2.33372e+02 155.503 1.36318e+02 155.503 0.8818 
1 1 1 1  10 21 o 8  5.34086e+01 2.52953e+01 3.61952e+01 131.165 -2.70159e-01 3.08978e-01  0.00000e+00 0.00000e+00 1.88880e+01 311.165 5.50832e+01 311.165 0.2010 
1 1 1 1  10 22 o 9  1.52629e+02 4.11520e+01 5.05090e+01 133.545 -1.00336e+00 1.05565e+00  0.00000e+00 0.00000e+00 9.50443e+01 133.545 4.45353e+01 133.545 0.5852 
1 1 1 1  10 23 o 6  1.02070e+02 4.08371e+01 3.91398e+01 173.674 -6.12521e-01 6.79082e-02  0.00000e+00 0.00000e+00 1.03864e+01 173.674 2.87534e+01 353.674 0.2944 
1 1 1 1  10 24 o 1  8.20301e+01 3.46311e+01 1.92314e+01 129.904 -2.07214e-01 2.47792e-01  0.00000e+00 0.00000e+00 2.58277e+00 129.904 1.66487e+01 309.904 0.1594 
1 1 1 1  10 25 o 10 5.13269e+02 2.59012e+01 1.85377e+02 81.050  3.16980e+00  2.01273e+01  0.00000e+00 0.00000e+00 6.59819e+02 81.050  4.74442e+02 81.050  0.9751 
1 1 1 1  10 26 o 11 3.37134e+02 3.35223e+01 1.93838e+02 179.502 -1.65296e+01 1.43808e-01  0.00000e+00 0.00000e+00 3.65114e+02 179.502 1.71276e+02 179.502 0.9693 
1 1 1 1  10 27 o 2  1.52590e+02 3.35039e+01 8.94608e+01 339.526 3.61590e+00  -1.35003e+00 0.00000e+00 0.00000e+00 1.37472e+02 339.526 4.80115e+01 339.526 0.8579 
1 1 1 1  10 28 o 2  2.34695e+02 2.40397e+01 1.83823e+02 34.830  1.59844e+01  1.11220e+01  0.00000e+00 0.00000e+00 2.17976e+02 34.830  3.41531e+01 34.830  0.9740 
1 1 1 1  10 29 o 14 1.48981e+02 3.18159e+01 7.27362e+01 165.881 -4.03697e+00 1.01542e+00  0.00000e+00 0.00000e+00 1.58257e+02 165.881 8.55211e+01 165.881 0.8695 
1 1 1 1  10 30 o 13 1.29834e+02 3.60142e+01 8.01564e+01 188.796 -4.39488e+00 -6.80064e-01 0.00000e+00 0.00000e+00 1.26344e+02 188.796 4.61873e+01 188.796 0.8788 
1 1 1 1  10 31 o 6  7.20975e+01 3.14915e+01 3.87541e+01 90.085  -1.96171e-03 1.31805e+00  0.00000e+00 0.00000e+00 3.38416e+01 90.085  4.91249e+00 270.085 0.5478 
1 1 1 1  10 32 o 12 8.63880e+01 3.54639e+01 8.01234e+01 343.953 3.34806e+00  -9.63032e-01 0.00000e+00 0.00000e+00 5.54285e+01 343.953 2.46949e+01 163.953 0.8403 
1 1 1 1  10 33 o 3  9.70524e+01 4.22703e+01 6.32265e+01 325.184 2.20658e+00  -1.53450e+00 0.00000e+00 0.00000e+00 8.12044e+01 325.184 1.79778e+01 325.184 0.7840 
1 1 1 1  10 34 o 17 8.59092e+01 3.75361e+01 4.62498e+01 238.345 -1.16133e+00 -1.88366e+00 0.00000e+00 0.00000e+00 7.47956e+01 238.345 2.85458e+01 238.345 0.7298 
1 1 1 1  10 35 f 0  6.44736e+01 3.23369e+01 1.45950e+01 215.191 -5.49020e-01 -3.87157e-01 0.00000e+00 0.00000e+00 2.57172e+01 215.191 1.11222e+01 215.191 0.3183 
1 1 1 1  10 36 f 0  4.95369e+01 2.51280e+01 1.66167e+01 181.201 -9.28521e-01 -1.94605e-02 0.00000e+00 0.00000e+00 2.50504e+01 181.201 8.43362e+00 181.201 0.4206 
1 1 1 1  10 37 o 15 5.04881e+01 2.56957e+01 2.15636e+01 133.144 -8.57862e-01 9.15320e-01  0.00000e+00 0.00000e+00 3.28797e+01 133.144 1.13161e+01 133.144 0.5293 
1 1 1 1  10 38 o 6  5.90570e+01 3.03717e+01 3.20728e+01 42.922  1.27687e+00  1.18747e+00  0.00000e+00 0.00000e+00 4.77269e+01 42.922  1.56540e+01 42.922  0.6509 
1 1 1 1  11 0  o 11 8.64863e+02 2.72928e+01 6.12102e+02 270.000 -4.39154e-16 -7.17193e+00 0.00000e+00 0.00000e+00 6.49446e+02 270.000 3.73448e+01 270.000 1.0000 
1 1 1 1  11 1  o 5  1.01674e+03 2.19886e+01 8.53780e+02 106.534 -6.63612e+00 2.23546e+01  0.00000e+00 0.00000e+00 5.97523e+02 106.534 2.56257e+02 286.534 0.9783 
1 1 1 1  11 2  o 15 7.23991e+02 1.68166e+01 7.56281e+02 21.066  1.35189e+01  5.20734e+00  0.00000e+00 0.00000e+00 2.63685e+02 21.066  4.92596e+02 201.066 0.9648 
1 1 1 1  11 3  o 9  4.99190e+02 1.51273e+01 4.88597e+02 174.989 -6.23913e+00 5.47018e-01  0.00000e+00 0.00000e+00 1.80100e+02 174.989 3.08497e+02 354.989 0.9163 
1 1 1 1  11 4  o 17 4.23892e+02 1.71417e+01 4.02777e+02 192.787 -4.49489e+00 -1.02016e+00 0.00000e+00 0.00000e+00 1.45689e+02 192.787 2.57088e+02 12.787  0.8835 
1 1 1 1  11 5  o 1  4.83109e+02 1.83671e+01 1.57863e+02 132.044 -1.30974e+00 1.45238e+00  0.00000e+00 0.00000e+00 3.31712e+02 132.044 1.73849e+02 132.044 0.6904 
1 1 1 1  11 6  o 8  5.00420e+02 1.84687e+01 2.55498e+02 135.716 -4.08893e+00 3.98794e+00  0.00000e+00 0.00000e+00 4.13069e+02 135.716 1.57570e+02 135.716 0.9076 
1 1 1 1  11 7  o 19 1.05443e+02 1.13977e+01 1.56339e+02 192.382 -6.79541e-01 -1.49188e-01 0.00000e+00 0.00000e+00 1.05204e+02 12.382  2.61543e+02 12.382  0.3284 
1 1 1 1  11 8  o 15 3.44526e+02 1.30203e+01 1.44104e+02 41.452  2.07620e+00  1.83375e+00  0.00000e+00 0.00000e+00 2.60103e+02 41.452  1.15999e+02 41.452  0.7914 
1 1 1 1  11 9  o 6  5.16361e+02 1.57735e+01 4.00663e+02 293.985 5.20813e+00  -1.17059e+01 0.00000e+00 0.00000e+00 3.37443e+02 293.985 6.32199e+01 113.985 0.9601 
1 1 1 1  11 10 o 7  5.94138e+02 1.73009e+01 5.42088e+02 247.331 -8.68201e+00 -2.07863e+01 0.00000e+00 0.00000e+00 3.26739e+02 247.331 2.15349e+02 67.331  0.9775 
1 1 1 1  11 11 o 15 6.47975e+02 2.25929e+01 3.82552e+02 50.882  1.18087e+01  1.45211e+01  0.00000e+00 0.00000e+00 5.65515e+02 50.882  1.82962e+02 50.882  0.9729 
1 1 1 1  11 12 o 1  7.61171e+01 2.00510e+01 1.51491e+02 2.420   1.12118e+00  4.73777e-02  0.00000e+00 0.00000e+00 9.53039e+01 182.420 2.46795e+02 182.420 0.4880 
1 1 1 1  11 13 o 4  4.44494e+02 1.86415e+01 1.50496e+02 277.008 7.98708e-01  -6.49760e+00 0.00000e+00 0.00000e+00 4.72039e+02 277.008 3.21543e+02 277.008 0.9201 
1 1 1 1  11 14 o 18 1.81061e+02 1.69441e+01 7.59200e+01 240.741 -8.55636e-01 -1.52729e+00 0.00000e+00 0.00000e+00 1.05079e+02 240.741 2.91588e+01 240.741 0.6523 
1 1 1 1  11 15 o 13 4.46313e+02 2.86538e+01 2.47992e+02 101.518 -2.37124e+00 1.16362e+01  0.00000e+00 0.00000e+00 4.11356e+02 101.518 1.63364e+02 101.518 0.9569 
1 1 1 1  11 16 o 7  3.97352e+02 1.89594e+01 2.79374e+02 64.255  7.77771e+00  1.61287e+01  0.00000e+00 0.00000e+00 3.21364e+02 64.255  4.19898e+01 64.255  0.9717 
1 1 1 1  11 17 o 10 2.74702e+02 1.90566e+01 1.69167e+02 315.773 4.76364e+00  -4.63688e+00 0.00000e+00 0.00000e+00 2.27939e+02 315.773 5.87719e+01 315.773 0.9214 
1 1 1 1  11 18 o 19 1.10512e+02 2.81978e+01 9.02811e+01 234.143 -9.44915e-01 -1.30743e+00 0.00000e+00 0.00000e+00 1.86770e+01 234.143 7.16041e+01 54.143  0.6229 
1 1 1 1  11 19 o 2  3.87029e+02 2.75659e+01 1.92466e+02 131.693 -9.27344e+00 1.04109e+01  0.00000e+00 0.00000e+00 4.03281e+02 131.693 2.10815e+02 131.693 0.9634 
1 1 1 1  11 20 o 17 2.46926e+02 2.85031e+01 2.24771e+02 171.335 -1.09403e+01 1.66732e+00  0.00000e+00 0.00000e+00 1.55190e+02 171.335 6.95805e+01 351.335 0.9537 
1 1 1 1  11 21 o 10 2.72584e+02 2.98257e+01 2.58365e+02 300.792 8.33749e+00  -1.39906e+01 0.00000e+00 0.00000e+00 1.72150e+02 300.792 8.62144e+01 120.792 0.9688 
1 1 1 1  11 22 o 6  2.24145e+02 3.72546e+01 1.91084e+02 345.777 8.50486e+00  -2.15566e+00 0.00000e+00 0.00000e+00 1.56577e+02 345.777 3.45075e+01 165.777 0.9412 
1 1 1 1  11 23 o 2  4.20525e+02 2.40767e+01 3.09064e+02 142.897 -1.99689e+01 1.51037e+01  0.00000e+00 0.00000e+00 3.77738e+02 142.897 6.86741e+01 142.897 0.9798 
1 1 1 1  11 24 o 6  1.73372e+02 3.52621e+01 1.03280e+02 200.120 -3.14250e+00 -1.15122e+00 0.00000e+00 0.00000e+00 1.40218e+02 200.120 3.69381e+01 200.120 0.8327 
1 1 1 1  11 26 o 1  1.54765e+02 3.39353e+01 1.31649e+02 331.213 4.81675e+00  -2.64657e+00 0.00000e+00 0.00000e+00 1.10292e+02 331.213 2.13572e+01 151.213 0.9037 
1 1 1 1  11 27 o 6  6.94314e+01 3.18334e+01 8.87226e+01 240.965 -9.52261e-01 -1.71543e+00 0.00000e+00 0.00000e+00 4.56288e+00 60.965  9.32855e+01 60.965  0.6914 
1 1 1 1  11 28 o 7  1.73253e+02 2.85464e+01 1.46920e+02 108.714 -3.54007e+00 1.04504e+01  0.00000e+00 0.00000e+00 1.46740e+02 108.714 1.79835e-01 288.714 0.9535 
1 1 1 1  11 29 f 0  9.84012e+01 3.32263e+01 4.70630e+01 210.881 -1.70202e+00 -1.01788e+00 0.00000e+00 0.00000e+00 7.62593e+01 210.881 2.91963e+01 210.881 0.6950 
1 1 1 1  11 30 f 0  6.86091e+01 3.16269e+01 6.98336e+01 199.876 -2.21624e+00 -8.01235e-01 0.00000e+00 0.00000e+00 2.41546e+01 199.876 4.56790e+01 19.876  0.7485 
1 1 1 1  11 31 o 9  6.58509e+01 2.97400e+01 8.59301e+00 215.534 -2.60494e-01 -1.86044e-01 0.00000e+00 0.00000e+00 1.07502e+01 215.534 2.15724e+00 215.534 0.1580 
1 1 1 1  11 32 o 4  8.18728e+01 3.76509e+01 3.24592e+01 55.489  7.22431e-01  1.05071e+00  0.00000e+00 0.00000e+00 5.03248e+01 55.489  1.78656e+01 55.489  0.5354 
1 1 1 1  11 33 o 12 8.78593e+01 3.72621e+01 4.93668e+01 193.155 -2.35871e+00 -5.51279e-01 0.00000e+00 0.00000e+00 7.81854e+01 193.155 2.88186e+01 193.155 0.7563 
1 1 1 1  11 34 o 2  7.73140e+01 3.51722e+01 2.38497e+01 268.331 -3.32808e-02 -1.14202e+00 0.00000e+00 0.00000e+00 5.08092e+01 268.331 2.69595e+01 268.331 0.4946 
1 1 1 1  11 35 f 0  6.24470e+01 3.04252e+01 2.44896e+01 14.577  1.22018e+00  3.17311e-01  0.00000e+00 0.00000e+00 4.14106e+01 14.577  1.69210e+01 14.577  0.5312 
1 1 1 1  11 36 o 15 6.05462e+01 3.05589e+01 2.34250e+01 114.702 -4.92520e-01 1.07071e+00  0.00000e+00 0.00000e+00 3.85488e+01 114.702 1.51238e+01 114.702 0.5061 
1 1 1 1  11 37 o 10 5.49901e+01 2.77753e+01 3.87862e+00 213.531 -1.89073e-01 -1.25293e-01 0.00000e+00 0.00000e+00 8.88705e+00 213.531 5.00843e+00 213.531 0.1127 
1 1 1 1  11 38 o 18 5.28070e+01 2.73029e+01 1.23129e+01 193.169 -7.09976e-01 -1.66120e-01 0.00000e+00 0.00000e+00 2.56376e+01 193.169 1.33247e+01 193.169 0.3423 
1 1 1 1  12 0  o 17 2.36708e+02 1.43544e+01 1.37666e+02 270.000 -2.56308e-17 -4.18583e-01 0.00000e+00 0.00000e+00 6.59264e-01 270.000 1.37007e+02 90.000  0.3957 
1 1 1 1  12 1  o 18 1.14377e+03 2.44182e+01 7.88100e+02 236.637 -1.25497e+01 -1.90593e+01 0.00000e+00 0.00000e+00 8.63847e+02 236.637 7.57474e+01 236.637 0.9778 
1 1 1 1  12 2  o 2  6.99999e+02 1.89029e+01 4.38841e+02 54.240  4.49285e+00  6.23866e+00  0.00000e+00 0.00000e+00 5.26018e+02 54.240  8.71779e+01 54.240  0.9325 
1 1 1 1  12 3  o 16 5.34057e+02 1.57869e+01 2.68409e+02 9.690   6.38254e+00  1.08988e+00  0.00000e+00 0.00000e+00 4.58109e+02 9.690   1.89700e+02 9.690   0.9192 
1 1 1 1  12 4  o 10 2.11594e+02 2.11900e+01 2.92823e+02 14.053  2.60493e+00  6.52060e-01  0.00000e+00 0.00000e+00 4.69514e+01 194.053 3.39775e+02 194.053 0.7837 
1 1 1 1  12 5  o 5  7.84033e+02 2.54152e+01 2.60304e+02 52.334  5.14800e+00  6.66882e+00  0.00000e+00 0.00000e+00 8.33269e+02 52.334  5.72965e+02 52.334  0.9386 
1 1 1 1  12 6  o 9  5.52727e+02 1.96939e+01 4.88426e+02 87.423  6.79318e-01  1.50912e+01  0.00000e+00 0.00000e+00 3.07466e+02 87.423  1.80960e+02 267.423 0.9663 
1 1 1 1  12 7  o 6  4.20890e+02 1.40222e+01 2.34610e+02 22.882  5.80538e+00  2.45016e+00  0.00000e+00 0.00000e+00 3.42280e+02 22.882  1.07670e+02 22.882  0.9168 
1 1 1 1  12 8  o 8  1.80649e+02 1.35536e+01 3.28327e+02 139.865 -2.72984e+00 2.30162e+00  0.00000e+00 0.00000e+00 9.93282e+01 319.865 4.27656e+02 319.865 0.8447 
1 1 1 1  12 9  o 1  2.54301e+02 1.21150e+01 2.17040e+02 205.826 -3.42925e+00 -1.65967e+00 0.00000e+00 0.00000e+00 1.10955e+02 205.826 1.06085e+02 25.826  0.8558 
1 1 1 1  12 10 o 3  1.48563e+02 1.21722e+01 1.39558e+02 280.996 3.01090e-01  -1.54951e+00 0.00000e+00 0.00000e+00 1.20708e+00 100.996 1.40765e+02 100.996 0.6149 
1 1 1 1  12 12 o 5  1.47109e+02 1.64818e+01 1.52755e+02 53.275  1.37117e+00  1.83787e+00  0.00000e+00 0.00000e+00 1.40485e+01 53.275  1.38707e+02 233.275 0.7405 
1 1 1 1  12 13 f 0  4.47639e+02 1.87883e+01 4.10821e+02 133.821 -1.62167e+01 1.68982e+01  0.00000e+00 0.00000e+00 2.64083e+02 133.821 1.46738e+02 313.821 0.9784 
1 1 1 1  12 14 o 10 2.00437e+02 1.66141e+01 1.18097e+02 257.622 -5.76399e-01 -2.62643e+00 0.00000e+00 0.00000e+00 1.25731e+02 257.622 7.63384e+00 257.622 0.7841 
1 1 1 1  12 15 o 17 2.02422e+02 2.90101e+01 2.15970e+02 325.530 5.55345e+00  -3.81251e+00 0.00000e+00 0.00000e+00 7.58604e+01 325.530 1.40110e+02 145.530 0.9225 
1 1 1 1  12 16 o 11 7.51900e+01 2.61932e+01 5.25859e+01 91.630  -1.87658e-02 6.59537e-01  0.00000e+00 0.00000e+00 1.54966e+01 271.630 6.80825e+01 271.630 0.3132 
1 1 1 1  12 17 o 19 3.77782e+02 1.95485e+01 3.10703e+02 73.249  5.88584e+00  1.95557e+01  0.00000e+00 0.00000e+00 2.74449e+02 73.249  3.62534e+01 253.249 0.9752 
1 1 1 1  12 18 o 10 2.36642e+02 2.69920e+01 3.65364e+01 316.156 1.19558e+00  -1.14827e+00 0.00000e+00 0.00000e+00 2.03403e+02 316.156 1.66866e+02 316.156 0.6328 
1 1 1 1  12 19 o 13 1.13593e+02 2.95526e+01 3.05469e+01 353.290 6.94179e-01  -8.16668e-02 0.00000e+00 0.00000e+00 3.00353e+01 353.290 5.11602e-01 173.290 0.3297 
1 1 1 1  12 20 o 3  3.10828e+02 2.12517e+01 1.64909e+02 114.660 -5.51206e+00 1.20061e+01  0.00000e+00 0.00000e+00 3.23185e+02 114.660 1.58275e+02 114.660 0.9614 
1 1 1 1  12 21 o 1  1.83735e+02 2.87897e+01 1.07958e+02 94.560  -3.41113e-01 4.27677e+00  0.00000e+00 0.00000e+00 1.57012e+02 94.560  4.90539e+01 94.560  0.8738 
1 1 1 1  12 22 o 7  1.43019e+02 3.46585e+01 7.57089e+01 201.463 -1.65500e+00 -6.50702e-01 0.00000e+00 0.00000e+00 8.12466e+01 201.463 5.53773e+00 201.463 0.6578 
1 1 1 1  12 23 o 10 3.25390e+02 2.53120e+01 1.90599e+02 246.912 -5.53030e+00 -1.29729e+01 0.00000e+00 0.00000e+00 3.38624e+02 246.912 1.48025e+02 246.912 0.9639 
1 1 1 1  12 24 o 13 2.46824e+02 2.88304e+01 1.92354e+02 45.502  6.96756e+00  7.09062e+00  0.00000e+00 0.00000e+00 2.07308e+02 45.502  1.49547e+01 45.502  0.9483 
1 1 1 1  12 25 o 4  1.08493e+02 3.69131e+01 8.19133e+01 93.440  -1.28869e-01 2.14408e+00  0.00000e+00 0.00000e+00 5.32460e+01 93.440  2.86673e+01 273.440 0.7206 
1 1 1 1  12 26 o 13 1.33266e+02 3.47787e+01 1.47280e+02 300.650 2.78638e+00  -4.70217e+00 0.00000e+00 0.00000e+00 6.34886e+01 300.650 8.37909e+01 120.650 0.9032 
1 1 1 1  12 27 o 17 8.18156e+01 3.45933e+01 5.07842e+01 56.434  8.36550e-01  1.26075e+00  0.00000e+00 0.00000e+00 3.62383e+01 56.434  1.45459e+01 236.434 0.5993 
1 1 1 1  12 28 o 1  2.06026e+02 2.57628e+01 1.65606e+02 156.970 -1.41040e+01 5.99551e+00  0.00000e+00 0.00000e+00 1.92825e+02 156.970 2.72194e+01 156.970 0.9668 
1 1 1 1  12 29 o 16 7.94710e+01 3.19571e+01 4.33160e+01 76.742  3.50516e-01  1.48764e+00  0.00000e+00 0.00000e+00 4.41749e+01 76.742  8.58900e-01 76.742  0.6031 
1 1 1 1  12 30 o 10 7.70988e+01 3.47805e+01 6.26552e+01 38.999  1.57095e+00  1.27209e+00  0.00000e+00 0.00000e+00 3.75234e+01 38.999  2.51318e+01 218.999 0.7013 
1 1 1 1  12 31 o 4  8.40388e+01 3.45649e+01 5.94258e+01 346.872 2.45431e+00  -5.72409e-01 0.00000e+00 0.00000e+00 6.18861e+01 346.872 2.46032e+00 346.872 0.7672 
1 1 1 1  12 32 o 13 7.54790e+01 3.36801e+01 5.83650e+01 137.683 -1.96049e+00 1.78497e+00  0.00000e+00 0.00000e+00 5.42589e+01 137.683 4.10610e+00 317.683 0.7805 
1 1 1 1  12 33 o 16 4.45827e+01 2.25216e+01 4.69030e+01 199.575 -2.18281e+00 -7.76173e-01 0.00000e+00 0.00000e+00 1.75132e+01 199.575 2.93898e+01 19.575  0.7435 
1 1 1 1  12 34 o 9  7.30597e+01 3.40198e+01 1.83849e+01 10.899  8.64209e-01  1.66405e-01  0.00000e+00 0.00000e+00 3.97056e+01 10.899  2.13207e+01 10.899  0.4023 
1 1 1 1  12 35 o 12 6.62655e+01 3.18715e+01 5.22570e+01 38.659  2.14341e+00  1.71466e+00  0.00000e+00 0.00000e+00 5.29191e+01 38.659  6.62021e-01 38.659  0.7892 
1 1 1 1  12 36 o 5  7.02294e+01 3.40259e+01 2.85661e+01 239.733 -7.38109e-01 -1.26478e+00 0.00000e+00 0.00000e+00 5.58706e+01 239.733 2.73045e+01 239.733 0.5872 
1 1 1 1  12 37 o 15 5.57755e+01 2.81753e+01 9.75555e+00 227.983 -3.72956e-01 -4.13956e-01 0.00000e+00 0.00000e+00 2.14547e+01 227.983 1.16992e+01 227.983 0.2683 
1 1 1 1  12 38 o 4  4.64577e+01 2.38760e+01 1.80485e+01 10.291  1.15495e+00  2.09701e-01  0.00000e+00 0.00000e+00 3.17748e+01 10.291  1.37263e+01 10.291  0.5046 
1 1 1 1  13 0  f 0  1.13049e+03 3.44575e+01 1.07494e+03 90.000  -3.05914e-06 3.49924e+01  0.00000e+00 0.00000e+00 6.16828e+02 90.000  4.58108e+02 270.000 1.0000 
1 1 1 1  13 1  o 4  1.88714e+02 1.13183e+01 3.11245e+02 80.526  5.65619e-01  3.38940e+00  0.00000e+00 0.00000e+00 7.46120e+01 260.526 3.85857e+02 260.526 0.8377 
1 1 1 1  13 2  o 12 5.86466e+02 1.67595e+01 5.12064e+02 252.721 -5.11480e+00 -1.64430e+01 0.00000e+00 0.00000e+00 3.40554e+02 252.721 1.71510e+02 72.721  0.9705 
1 1 1 1  13 3  o 12 5.83886e+02 1.67188e+01 6.51570e+02 192.732 -2.08200e+01 -4.70420e+00 0.00000e+00 0.00000e+00 2.03423e+02 192.732 4.48148e+02 12.732  0.9763 
1 1 1 1  13 4  o 5  1.33541e+02 1.44157e+01 1.71421e+02 351.213 1.23580e+00  -1.91022e-01 0.00000e+00 0.00000e+00 6.54500e+01 171.213 2.36871e+02 171.213 0.5281 
1 1 1 1  13 5  o 18 3.09672e+02 1.53319e+01 3.30064e+02 336.274 5.88132e+00  -2.58484e+00 0.00000e+00 0.00000e+00 9.82701e+01 336.274 2.31794e+02 156.274 0.9185 
1 1 1 1  13 6  o 11 2.55442e+02 1.99975e+01 2.97937e+02 241.836 -2.60882e+00 -4.87272e+00 0.00000e+00 0.00000e+00 5.09064e+01 241.836 2.47030e+02 61.836  0.9043 
1 1 1 1  13 7  o 10 4.66835e+02 1.47800e+01 1.94258e+02 296.245 2.80557e+00  -5.69044e+00 0.00000e+00 0.00000e+00 4.54615e+02 296.245 2.60357e+02 296.245 0.9174 
1 1 1 1  13 8  o 12 2.71408e+02 1.21312e+01 1.41975e+02 0.766   3.02169e+00  4.04244e-02  0.00000e+00 0.00000e+00 1.93023e+02 0.766   5.10475e+01 0.766   0.8116 
1 1 1 1  13 9  o 16 3.13344e+02 1.60766e+01 1.34313e+02 25.843  3.85597e+00  1.86764e+00  0.00000e+00 0.00000e+00 2.83798e+02 25.843  1.49485e+02 25.843  0.8736 
1 1 1 1  13 10 o 6  1.55140e+02 1.22141e+01 7.82697e+01 162.240 -1.20710e+00 3.86639e-01  0.00000e+00 0.00000e+00 4.86806e+01 162.240 2.95891e+01 342.240 0.5332 
1 1 1 1  13 11 o 4  8.22570e+01 1.91963e+01 3.17911e+01 79.499  4.78075e-02  2.57921e-01  0.00000e+00 0.00000e+00 1.52875e+01 259.499 4.70785e+01 259.499 0.1300 
1 1 1 1  13 12 f 0  1.30037e+02 1.64788e+01 9.56673e+01 308.082 9.81640e-01  -1.25275e+00 0.00000e+00 0.00000e+00 2.90335e+01 308.082 6.66338e+01 128.082 0.6180 
1 1 1 1  13 13 o 1  1.53533e+02 1.74809e+01 5.31594e+01 88.743  2.03151e-02  9.26104e-01  0.00000e+00 0.00000e+00 4.74634e+01 88.743  5.69596e+00 268.743 0.4197 
1 1 1 1  13 14 o 2  4.67286e+02 1.96395e+01 1.98796e+02 79.349  2.81575e+00  1.49717e+01  0.00000e+00 0.00000e+00 5.11380e+02 79.349  3.12584e+02 79.349  0.9666 
1 1 1 1  13 15 o 7  7.90125e+01 2.53576e+01 1.09057e+02 309.714 9.32278e-01  -1.12238e+00 0.00000e+00 0.00000e+00 3.57412e+01 129.714 1.44798e+02 129.714 0.5859 
1 1 1 1  13 16 o 17 1.58665e+02 3.78001e+01 5.74309e+01 322.004 1.10278e+00  -8.61444e-01 0.00000e+00 0.00000e+00 8.69987e+01 322.004 2.95679e+01 322.004 0.5703 
1 1 1 1  13 17 o 10 2.37680e+02 1.98827e+01 1.68150e+02 78.718  1.64496e+00  8.24581e+00  0.00000e+00 0.00000e+00 1.90895e+02 78.718  2.27449e+01 78.718  0.9385 
1 1 1 1  13 18 o 10 8.75068e+01 3.13930e+01 2.71859e+01 183.405 -4.65266e-01 -2.76857e-02 0.00000e+00 0.00000e+00 5.06209e+00 183.405 2.21238e+01 3.405   0.2269 
1 1 1 1  13 19 o 1  6.08201e+01 2.64110e+01 1.06124e+02 279.887 2.36123e-01  -1.35480e+00 0.00000e+00 0.00000e+00 4.99243e+01 99.887  1.56048e+02 99.887  0.5637 
1 1 1 1  13 20 o 9  2.08286e+02 2.53881e+01 1.97097e+02 300.573 4.78907e+00  -8.10660e+00 0.00000e+00 0.00000e+00 1.28823e+02 300.573 6.82735e+01 120.573 0.9453 
1 1 1 1  13 21 o 7  2.09497e+02 2.77545e+01 1.39116e+02 41.502  4.96884e+00  4.39635e+00  0.00000e+00 0.00000e+00 1.83664e+02 41.502  4.45482e+01 41.502  0.9212 
1 1 1 1  13 22 o 12 6.10287e+01 2.84810e+01 4.09054e+01 163.371 -4.43693e-01 1.32517e-01  0.00000e+00 0.00000e+00 1.76335e+01 343.371 5.85389e+01 343.371 0.2255 
1 1 1 1  13 23 o 2  2.88750e+02 2.61055e+01 1.23326e+02 284.862 1.97347e+00  -7.43684e+00 0.00000e+00 0.00000e+00 3.37143e+02 284.862 2.13817e+02 284.862 0.9326 
1 1 1 1  13 24 o 16 1.76897e+02 4.77934e+01 1.46610e+02 48.701  3.18109e+00  3.62104e+00  0.00000e+00 0.00000e+00 1.25529e+02 48.701  2.10808e+01 228.701 0.8890 
1 1 1 1  13 25 f 0  9.07137e+01 3.42907e+01 8.30062e+01 273.696 1.46082e-01  -2.26147e+00 0.00000e+00 0.00000e+00 3.41194e+01 273.696 4.88867e+01 93.696  0.7370 
1 1 1 1  13 26 o 18 2.69386e+02 3.62773e+01 1.22350e+02 203.310 -8.91061e+00 -3.83928e+00 0.00000e+00 0.00000e+00 3.30359e+02 203.310 2.08009e+02 203.310 0.9470 
1 1 1 1  13 27 o 19 1.83636e+02 4.12292e+01 1.27355e+02 113.843 -3.05622e+00 6.91536e+00  0.00000e+00 0.00000e+00 1.80226e+02 113.843 5.28710e+01 113.843 0.9313 
1 1 1 1  13 28 o 6  7.33542e+01 3.08110e+01 2.72386e+01 353.627 9.07363e-01  -1.01345e-01 0.00000e+00 0.00000e+00 2.82381e+01 353.627 9.99443e-01 353.627 0.4147 
1 1 1 1  13 29 o 18 6.19248e+01 2.92612e+01 5.20955e+01 13.016  1.65915e+00  3.83538e-01  0.00000e+00 0.00000e+00 2.15036e+01 13.016  3.05918e+01 193.016 0.6424 
1 1 1 1  13 30 o 13 9.15707e+01 3.49119e+01 4.95591e+01 48.447  1.44977e+00  1.63562e+00  0.00000e+00 0.00000e+00 7.52785e+01 48.447  2.57194e+01 48.447  0.7260 
1 1 1 1  13 31 o 12 6.12995e+01 2.85757e+01 2.22307e+01 41.847  6.71010e-01  6.00939e-01  0.00000e+00 0.00000e+00 2.57087e+01 41.847  3.47804e+00 41.847  0.4101 
1 1 1 1  13 32 o 9  8.68372e+01 3.63206e+01 5.64862e+01 215.894 -2.18750e+00 -1.58316e+00 0.00000e+00 0.00000e+00 7.56032e+01 215.894 1.91170e+01 215.894 0.7851 
1 1 1 1  13 33 o 5  7.37836e+01 3.37494e+01 2.07476e+01 359.127 9.86288e-01  -1.50269e-02 0.00000e+00 0.00000e+00 4.34144e+01 359.127 2.26668e+01 359.127 0.4416 
1 1 1 1  13 34 o 13 6.69165e+01 3.17688e+01 1.94103e+01 55.045  5.49157e-01  7.85603e-01  0.00000e+00 0.00000e+00 3.84239e+01 55.045  1.90136e+01 55.045  0.4315 
1 1 1 1  13 35 o 8  5.40407e+01 2.71010e+01 3.30030e+01 141.155 -1.38932e+00 1.11886e+00  0.00000e+00 0.00000e+00 3.95677e+01 141.155 6.56470e+00 141.155 0.6589 
1 1 1 1  13 36 o 16 6.59713e+01 3.22945e+01 2.28084e+01 300.040 5.91038e-01  -1.02208e+00 0.00000e+00 0.00000e+00 4.65595e+01 300.040 2.37511e+01 300.040 0.5068 
1 1 1 1  13 37 o 12 5.52671e+01 2.79524e+01 2.95007e+01 283.220 3.91485e-01  -1.66646e+00 0.00000e+00 0.00000e+00 4.57588e+01 283.220 1.62581e+01 283.220 0.6443 
1 1 1 1  14 0  o 17 3.47748e+02 2.26079e+01 3.10570e+02 90.000  -2.91303e-07 3.33212e+00  0.00000e+00 0.00000e+00 2.16028e+02 90.000  9.45421e+01 270.000 0.9975 
1 1 1 1  14 1  f 0  6.61699e+01 1.40781e+01 1.10055e+02 84.283  4.47092e-02  4.46610e-01  0.00000e+00 0.00000e+00 8.80539e+01 264.283 1.98109e+02 264.283 0.2190 
1 1 1 1  14 2  o 11 7.36298e+02 1.97127e+01 5.22250e+02 35.210  1.89768e+01  1.33915e+01  0.00000e+00 0.00000e+00 5.72350e+02 35.210  5.01007e+01 35.210  0.9782 
1 1 1 1  14 3  o 2  2.43322e+02 1.16212e+01 9.47922e+01 47.568  1.13674e+00  1.24349e+00  0.00000e+00 0.00000e+00 1.41647e+02 47.568  4.68548e+01 47.568  0.6386 
1 1 1 1  14 4  o 8  4.41515e+02 1.76504e+01 3.39838e+02 136.131 -7.62936e+00 7.33394e+00  0.00000e+00 0.00000e+00 3.00538e+02 136.131 3.93002e+01 316.131 0.9515 
1 1 1 1  14 5  o 18 8.20425e+02 3.71932e+01 5.10029e+02 112.685 -1.21526e+01 2.90729e+01  0.00000e+00 0.00000e+00 7.23349e+02 112.685 2.13320e+02 112.685 0.9840 
1 1 1 1  14 6  o 15 5.00507e+01 1.47985e+01 1.15251e+02 296.107 1.97464e-01  -4.02941e-01 0.00000e+00 0.00000e+00 9.84659e+01 116.107 2.13717e+02 116.107 0.2189 
1 1 1 1  14 7  o 3  3.72282e+02 1.33178e+01 3.42229e+02 293.019 5.15083e+00  -1.21233e+01 0.00000e+00 0.00000e+00 2.07820e+02 293.019 1.34410e+02 113.019 0.9613 
1 1 1 1  14 8  o 13 3.81898e+02 1.36145e+01 2.99017e+02 152.855 -1.07949e+01 5.53484e+00  0.00000e+00 0.00000e+00 2.65371e+02 152.855 3.36461e+01 332.855 0.9579 
1 1 1 1  14 9  o 2  2.33363e+02 1.22157e+01 1.19038e+02 210.390 -2.43347e+00 -1.42715e+00 0.00000e+00 0.00000e+00 1.68734e+02 210.390 4.96960e+01 210.390 0.7958 
1 1 1 1  14 10 o 6  1.57992e+02 1.29484e+01 2.22375e+02 90.988  -6.05148e-02 3.50884e+00  0.00000e+00 0.00000e+00 1.53558e+01 270.988 2.37730e+02 270.988 0.8416 
1 1 1 1  14 11 o 18 4.47813e+01 1.73889e+01 2.03037e+02 315.582 8.17530e-01  -8.01084e-01 0.00000e+00 0.00000e+00 1.68322e+02 135.582 3.71359e+02 135.582 0.4953 
1 1 1 1  14 12 o 10 9.36376e+01 1.93251e+01 7.85126e+01 270.895 1.64707e-02  -1.05437e+00 0.00000e+00 0.00000e+00 9.90978e+00 90.895  8.84224e+01 90.895  0.4654 
1 1 1 1  14 13 o 2  3.01318e+02 1.69944e+01 1.83904e+02 119.716 -4.55180e+00 7.97483e+00  0.00000e+00 0.00000e+00 2.66671e+02 119.716 8.27670e+01 119.716 0.9439 
1 1 1 1  14 14 o 3  2.98643e+02 1.77618e+01 1.77517e+02 50.903  5.93351e+00  7.30201e+00  0.00000e+00 0.00000e+00 2.72775e+02 50.903  9.52582e+01 50.903  0.9453 
1 1 1 1  14 15 o 8  1.42055e+02 2.20719e+01 1.44565e+02 59.413  1.82411e+00  3.08602e+00  0.00000e+00 0.00000e+00 4.84056e+01 59.413  9.61592e+01 239.413 0.8454 
1 1 1 1  14 16 o 16 1.17426e+02 4.00769e+01 1.71704e+01 309.482 2.25192e-01  -2.73353e-01 0.00000e+00 0.00000e+00 1.59868e+01 309.482 1.18361e+00 129.482 0.1744 
1 1 1 1  14 17 o 14 1.01380e+02 3.10286e+01 5.80527e+01 295.370 5.00627e-01  -1.05576e+00 0.00000e+00 0.00000e+00 2.52020e+01 295.370 3.28506e+01 115.370 0.5029 
1 1 1 1  14 18 o 2  1.02388e+02 2.94895e+01 3.44818e+01 294.107 3.01809e-01  -6.74484e-01 0.00000e+00 0.00000e+00 2.39390e+01 294.107 1.05428e+01 114.107 0.3463 
1 1 1 1  14 19 o 2  3.92726e+02 3.44015e+01 2.30766e+02 143.166 -1.52785e+01 1.14440e+01  0.00000e+00 0.00000e+00 4.04946e+02 143.166 1.74180e+02 143.166 0.9734 
1 1 1 1  14 20 o 19 2.24106e+02 2.65442e+01 1.02426e+02 346.742 5.22914e+00  -1.23205e+00 0.00000e+00 0.00000e+00 2.36792e+02 346.742 1.34366e+02 346.742 0.9014 
1 1 1 1  14 21 o 9  2.07667e+02 2.86472e+01 1.29864e+02 270.477 4.22449e-02  -5.07758e+00 0.00000e+00 0.00000e+00 1.85555e+02 270.477 5.56910e+01 270.477 0.8952 
1 1 1 1  14 22 o 16 9.47197e+01 3.66751e+01 1.43164e+02 148.028 -2.14857e+00 1.34112e+00  0.00000e+00 0.00000e+00 1.83039e+01 328.028 1.61468e+02 328.028 0.7685 
1 1 1 1  14 23 o 5  1.61018e+02 3.75160e+01 1.53970e+02 57.502  2.52029e+00  3.95643e+00  0.00000e+00 0.00000e+00 9.34382e+01 57.502  6.05315e+01 237.502 0.8857 
1 1 1 1  14 24 o 10 1.87782e+02 4.08821e+01 1.18358e+02 170.581 -5.34895e+00 8.87296e-01  0.00000e+00 0.00000e+00 1.79099e+02 170.581 6.07404e+01 170.581 0.9023 
1 1 1 1  14 25 o 18 7.96655e+01 3.27622e+01 5.85336e+01 243.152 -6.06632e-01 -1.19841e+00 0.00000e+00 0.00000e+00 2.00386e+01 243.152 3.84950e+01 63.152  0.5549 
1 1 1 1  14 26 o 15 6.70236e+01 2.90453e+01 7.10256e+01 21.613  1.82068e+00  7.21352e-01  0.00000e+00 0.00000e+00 1.23327e+01 21.613  5.86929e+01 201.613 0.6908 
1 1 1 1  14 27 o 4  9.88755e+01 3.31665e+01 7.07848e+01 71.186  8.47418e-01  2.48730e+00  0.00000e+00 0.00000e+00 6.96073e+01 71.186  1.17748e+00 251.186 0.7782 
1 1 1 1  14 28 o 18 1.30557e+02 4.42755e+01 7.06113e+01 49.737  1.91011e+00  2.25527e+00  0.00000e+00 0.00000e+00 1.24222e+02 49.737  5.36108e+01 49.737  0.8066 
1 1 1 1  14 29 o 4  5.95382e+01 2.84369e+01 1.94288e+01 275.496 5.50496e-02  -5.72112e-01 0.00000e+00 0.00000e+00 1.14269e+01 275.496 8.00187e+00 95.496  0.2761 
1 1 1 1  14 30 o 7  7.77648e+01 3.30653e+01 4.24448e+01 58.039  9.25529e-01  1.48341e+00  0.00000e+00 0.00000e+00 5.41175e+01 58.039  1.16727e+01 58.039  0.6518 
1 1 1 1  14 31 o 6  8.56106e+01 3.53794e+01 2.06772e+01 60.188  4.77553e-01  8.33438e-01  0.00000e+00 0.00000e+00 5.09080e+01 60.188  3.02308e+01 60.188  0.4322 
1 1 1 1  14 32 o 3  6.40807e+01 3.02640e+01 5.07064e+01 245.115 -1.04866e+00 -2.26066e+00 0.00000e+00 0.00000e+00 4.55354e+01 245.115 5.17101e+00 65.115  0.7641 
1 1 1 1  14 33 o 8  6.50906e+01 3.10150e+01 2.57142e+01 106.652 -3.58569e-01 1.19878e+00  0.00000e+00 0.00000e+00 4.30001e+01 106.652 1.72859e+01 106.652 0.5284 
1 1 1 1  14 34 o 5  5.65560e+01 2.79395e+01 3.90518e+01 28.163  1.79784e+00  9.62501e-01  0.00000e+00 0.00000e+00 4.18674e+01 28.163  2.81558e+00 28.163  0.7041 
1 1 1 1  14 35 o 18 6.71635e+01 3.23423e+01 3.68754e+01 231.084 -1.19160e+00 -1.47595e+00 0.00000e+00 0.00000e+00 5.75718e+01 231.084 2.06964e+01 231.084 0.6801 
1 1 1 1  14 36 o 12 4.90588e+01 2.49741e+01 1.86729e+01 146.767 -9.54416e-01 6.25346e-01  0.00000e+00 0.00000e+00 3.23567e+01 146.767 1.36838e+01 146.767 0.4941 
1 1 1 1  14 37 f 0  5.67581e+01 2.86726e+01 3.18296e+01 15.630  1.75927e+00  4.92195e-01  0.00000e+00 0.00000e+00 4.93651e+01 15.630  1.75355e+01 15.630  0.6672 
1 1 1 1  15 0  o 13 5.67772e+02 2.88298e+01 4.36899e+02 90.000  5.92846e-16  9.68191e+00  0.00000e+00 0.00000e+00 4.38512e+02 90.000  1.61355e+00 90.000  1.0000 
1 1 1 1  15 1  o 7  7.04081e+02 2.33877e+01 6.12668e+02 291.830 1.23828e+01  -3.09130e+01 0.00000e+00 0.00000e+00 4.56752e+02 291.830 1.55916e+02 111.830 0.9849 
1 1 1 1  15 2  o 5  8.71458e+01 1.52777e+01 7.43205e+01 141.907 -3.97068e-01 3.11258e-01  0.00000e+00 0.00000e+00 4.14269e+01 321.907 1.15747e+02 321.907 0.2446 
1 1 1 1  15 3  o 8  2.46025e+02 2.07372e+01 2.22988e+02 33.765  3.45574e+00  2.31038e+00  0.00000e+00 0.00000e+00 1.07511e+02 33.765  1.15477e+02 213.765 0.8693 
1 1 1 1  15 4  o 11 8.37588e+02 2.18261e+01 5.83322e+02 314.319 3.46546e+01  -3.54888e+01 0.00000e+00 0.00000e+00 7.00184e+02 314.319 1.16862e+02 314.319 0.9899 
1 1 1 1  15 6  o 12 1.30014e+02 1.39225e+01 1.38366e+02 124.500 -1.07229e+00 1.56020e+00  0.00000e+00 0.00000e+00 9.26979e-01 304.500 1.39293e+02 304.500 0.6794 
1 1 1 1  15 7  o 2  3.33018e+02 2.18902e+01 2.48904e+02 32.084  6.97087e+00  4.37013e+00  0.00000e+00 0.00000e+00 2.38239e+02 32.084  1.06655e+01 212.084 0.9371 
1 1 1 1  15 8  o 1  4.98271e+01 1.26452e+01 2.84680e+01 242.364 -6.66560e-02 -1.27308e-01 0.00000e+00 0.00000e+00 2.28726e+01 62.364  5.13406e+01 62.364  0.0717 
1 1 1 1  15 9  o 1  2.56235e+02 2.14162e+01 1.87521e+02 222.430 -4.49380e+00 -4.10774e+00 0.00000e+00 0.00000e+00 1.80910e+02 222.430 6.61058e+00 42.430  0.9137 
1 1 1 1  15 10 o 3  9.70087e+01 1.74533e+01 1.16651e+02 221.776 -9.80069e-01 -8.75534e-01 0.00000e+00 0.00000e+00 3.27866e+01 41.776  1.49437e+02 41.776  0.5467 
1 1 1 1  15 11 o 13 2.33770e+02 1.60139e+01 2.35058e+02 11.154  7.71564e+00  1.52132e+00  0.00000e+00 0.00000e+00 1.12044e+02 11.154  1.23014e+02 191.154 0.9341 
1 1 1 1  15 12 o 17 6.49254e+01 2.13035e+01 6.37512e+01 345.140 6.42390e-01  -1.70451e-01 0.00000e+00 0.00000e+00 3.10298e+01 165.140 9.47809e+01 165.140 0.3152 
1 1 1 1  15 13 o 7  3.30834e+02 1.76581e+01 2.71043e+02 43.726  9.54792e+00  9.13238e+00  0.00000e+00 0.00000e+00 2.40699e+02 43.726  3.03440e+01 223.726 0.9614 
1 1 1 1  15 14 o 8  6.06981e+01 2.25055e+01 1.09747e+02 350.161 1.14122e+00  -1.97917e-01 0.00000e+00 0.00000e+00 6.06166e+01 170.161 1.70364e+02 170.161 0.4997 
1 1 1 1  15 15 o 18 2.21640e+02 1.86881e+01 1.40590e+02 286.608 1.90970e+00  -6.40269e+00 0.00000e+00 0.00000e+00 1.92807e+02 286.608 5.22166e+01 286.608 0.9218 
1 1 1 1  15 16 o 16 7.55182e+01 3.32360e+01 1.66542e+02 80.376  4.09725e-01  2.41618e+00  0.00000e+00 0.00000e+00 7.22082e+01 260.376 2.38750e+02 260.376 0.7595 
1 1 1 1  15 17 o 19 4.91270e+01 2.27964e+01 1.74536e+01 271.070 3.59494e-03  -1.92431e-01 0.00000e+00 0.00000e+00 9.64941e+00 91.070  2.71030e+01 91.070  0.0958 
1 1 1 1  15 18 o 2  1.86269e+02 2.47147e+01 1.36540e+02 233.403 -3.58377e+00 -4.82611e+00 0.00000e+00 0.00000e+00 1.47848e+02 233.403 1.13076e+01 233.403 0.9125 
1 1 1 1  15 19 f 0  2.16079e+02 2.53068e+01 1.55493e+02 246.588 -2.98888e+00 -6.90300e+00 0.00000e+00 0.00000e+00 1.84217e+02 246.588 2.87244e+01 246.588 0.9309 
1 1 1 1  15 20 o 10 3.88157e+02 3.60417e+01 2.03267e+02 4.900   1.27868e+01  1.09632e+00  0.00000e+00 0.00000e+00 4.32386e+02 4.900   2.29119e+02 4.900   0.9602 
1 1 1 1  15 21 f 0  2.30421e+02 4.54840e+01 9.70804e+01 348.312 3.70469e+00  -7.66379e-01 0.00000e+00 0.00000e+00 2.42261e+02 348.312 1.45180e+02 348.312 0.8546 
1 1 1 1  15 22 o 5  1.45308e+02 3.79998e+01 3.47121e+01 93.430  -5.74892e-02 9.59065e-01  0.00000e+00 0.00000e+00 7.47197e+01 93.430  4.00077e+01 93.430  0.4323 
1 1 1 1  15 23 f 0  2.56196e+02 3.74640e+01 1.79026e+02 95.754  -1.11297e+00 1.10449e+01  0.00000e+00 0.00000e+00 2.51520e+02 95.754  7.24949e+01 95.754  0.9538 
1 1 1 1  15 24 o 13 1.49030e+02 3.41354e+01 7.87253e+01 298.559 1.68478e+00  -3.09533e+00 0.00000e+00 0.00000e+00 1.45089e+02 298.559 6.63641e+01 298.559 0.8424 
1 1 1 1  15 25 o 7  1.15779e+02 3.30335e+01 4.94366e+01 263.356 -2.13080e-01 -1.82920e+00 0.00000e+00 0.00000e+00 9.05766e+01 263.356 4.11400e+01 263.356 0.6700 
1 1 1 1  15 26 o 13 1.09969e+02 3.34885e+01 3.10699e+01 142.385 -1.03814e+00 7.99892e-01  0.00000e+00 0.00000e+00 7.86524e+01 142.385 4.75826e+01 142.385 0.5457 
1 1 1 1  15 27 o 2  1.21321e+02 3.31098e+01 1.13236e+02 2.990   5.89190e+00  3.07797e-01  0.00000e+00 0.00000e+00 9.15133e+01 2.990   2.17229e+01 182.990 0.9108 
1 1 1 1  15 28 o 1  9.96272e+01 4.10878e+01 4.67962e+01 219.913 -1.33522e+00 -1.11694e+00 0.00000e+00 0.00000e+00 7.49276e+01 219.913 2.81314e+01 219.913 0.6503 
1 1 1 1  15 29 o 9  8.10538e+01 3.32048e+01 3.14037e+01 333.369 1.15333e+00  -5.78330e-01 0.00000e+00 0.00000e+00 5.19986e+01 333.369 2.05948e+01 333.369 0.5398 
1 1 1 1  15 30 o 11 6.58952e+01 3.03203e+01 3.76029e+01 162.227 -1.46113e+00 4.68371e-01  0.00000e+00 0.00000e+00 3.94634e+01 162.227 1.86043e+00 162.227 0.6045 
1 1 1 1  15 31 o 4  6.15406e+01 2.92843e+01 4.27237e+01 198.770 -1.81164e+00 -6.15690e-01 0.00000e+00 0.00000e+00 3.98583e+01 198.770 2.86543e+00 18.770  0.6830 
1 1 1 1  15 32 o 8  6.64172e+01 3.13203e+01 7.76829e+01 1.459   3.67495e+00  9.35717e-02  0.00000e+00 0.00000e+00 3.49804e+01 1.459   4.27026e+01 181.459 0.8498 
1 1 1 1  15 33 o 10 6.79505e+01 3.22613e+01 2.60078e+01 58.119  6.68934e-01  1.07550e+00  0.00000e+00 0.00000e+00 4.74695e+01 58.119  2.14617e+01 58.119  0.5329 
1 1 1 1  15 34 o 8  6.30157e+01 3.06835e+01 2.46027e+01 145.749 -1.05122e+00 7.15773e-01  0.00000e+00 0.00000e+00 4.48992e+01 145.749 2.02965e+01 145.749 0.5344 
1 1 1 1  15 35 o 7  5.89933e+01 2.93047e+01 4.23677e+01 323.309 1.83680e+00  -1.36867e+00 0.00000e+00 0.00000e+00 4.93250e+01 323.309 6.95732e+00 323.309 0.7402 
1 1 1 1  15 36 o 1  4.91205e+01 2.49905e+01 1.82461e+01 243.000 -5.06106e-01 -9.93278e-01 0.00000e+00 0.00000e+00 3.27459e+01 243.000 1.44999e+01 243.000 0.4856 
1 1 1 1  16 0  f 0  1.75057e+02 2.10051e+01 4.64093e+01 270.000 3.75922e-08  -4.30004e-01 0.00000e+00 0.00000e+00 6.48150e+01 270.000 1.84057e+01 270.000 0.4053 
1 1 1 1  16 1  o 19 5.98636e+02 2.10093e+01 4.67791e+02 354.786 2.89092e+01  -2.63783e+00 0.00000e+00 0.00000e+00 4.54513e+02 354.786 1.32779e+01 174.786 0.9826 
1 1 1 1  16 2  f 0  1.64394e+02 2.13937e+01 2.29031e+02 181.306 -3.86464e+00 -8.80965e-02 0.00000e+00 0.00000e+00 7.66841e+00 1.306   2.36699e+02 1.306   0.8582 
1 1 1 1  16 3  o 15 7.31829e+02 2.42575e+01 5.20741e+02 152.305 -3.38232e+01 1.77535e+01  0.00000e+00 0.00000e+00 6.13879e+02 152.305 9.31375e+01 152.305 0.9868 
1 1 1 1  16 4  o 12 3.34976e+02 1.29067e+01 3.01472e+02 72.879  3.13208e+00  1.01674e+01  0.00000e+00 0.00000e+00 2.00311e+02 72.879  1.01161e+02 252.879 0.9518 
1 1 1 1  16 6  o 16 8.14975e+01 1.67753e+01 1.43144e+02 187.875 -1.53550e+00 -2.12394e-01 0.00000e+00 0.00000e+00 6.47280e+01 7.875   2.07872e+02 7.875   0.6083 
1 1 1 1  16 7  o 15 1.15929e+02 1.58203e+01 1.54999e+02 142.885 -1.85091e+00 1.40059e+00  0.00000e+00 0.00000e+00 1.81069e+01 322.885 1.73106e+02 322.885 0.7441 
1 1 1 1  16 8  o 14 1.92266e+02 1.55316e+01 1.47791e+02 105.576 -8.98270e-01 3.22256e+00  0.00000e+00 0.00000e+00 1.07223e+02 105.576 4.05680e+01 285.576 0.8326 
1 1 1 1  16 9  o 14 8.55743e+01 1.50488e+01 1.36993e+01 234.660 -9.89675e-02 -1.39573e-01 0.00000e+00 0.00000e+00 2.02946e+00 54.660  1.57288e+01 54.660  0.0852 
1 1 1 1  16 10 o 6  6.28454e+01 1.78142e+01 9.30660e+01 169.476 -9.61835e-01 1.78684e-01  0.00000e+00 0.00000e+00 4.87507e+01 349.476 1.41817e+02 349.476 0.4386 
1 1 1 1  16 11 o 7  1.11858e+02 1.83895e+01 5.07168e+01 147.943 -8.71236e-01 5.45610e-01  0.00000e+00 0.00000e+00 3.17552e+01 147.943 1.89616e+01 327.943 0.4562 
1 1 1 1  16 12 o 11 4.10148e+02 1.86329e+01 3.55744e+02 60.759  1.03309e+01  1.84540e+01  0.00000e+00 0.00000e+00 2.94993e+02 60.759  6.07513e+01 240.759 0.9761 
1 1 1 1  16 13 o 17 1.37652e+02 1.93421e+01 1.84253e+02 267.074 -2.27618e-01 -4.45367e+00 0.00000e+00 0.00000e+00 1.36998e+01 267.074 1.70553e+02 87.074  0.8791 
1 1 1 1  16 14 o 16 3.11477e+02 2.33082e+01 2.73795e+02 287.698 5.22424e+00  -1.63714e+01 0.00000e+00 0.00000e+00 2.24036e+02 287.698 4.97584e+01 107.698 0.9705 
1 1 1 1  16 15 o 16 8.24615e+01 2.55282e+01 5.79893e+01 31.823  8.53184e-01  5.29460e-01  0.00000e+00 0.00000e+00 3.27935e+00 31.823  5.47099e+01 211.822 0.4478 
1 1 1 1  16 16 o 19 2.37507e+02 1.97052e+01 1.92156e+02 214.281 -8.70156e+00 -5.93162e+00 0.00000e+00 0.00000e+00 1.85618e+02 214.281 6.53759e+00 34.281  0.9513 
1 1 1 1  16 18 o 9  1.24211e+02 4.65059e+01 1.30132e+02 75.039  7.28263e-01  2.72539e+00  0.00000e+00 0.00000e+00 3.80112e+01 75.039  9.21207e+01 255.039 0.7958 
1 1 1 1  16 19 o 13 2.64390e+02 2.42519e+01 1.88288e+02 235.677 -5.11391e+00 -7.49014e+00 0.00000e+00 0.00000e+00 2.39841e+02 235.677 5.15529e+01 235.677 0.9431 
1 1 1 1  16 20 o 11 2.68124e+02 2.47833e+01 1.87285e+02 184.736 -1.16752e+01 -9.67229e-01 0.00000e+00 0.00000e+00 2.57307e+02 184.736 7.00218e+01 184.736 0.9563 
1 1 1 1  16 21 o 1  8.68592e+01 3.51314e+01 6.74712e+01 22.308  1.06532e+00  4.37101e-01  0.00000e+00 0.00000e+00 8.23377e+00 22.308  5.92374e+01 202.308 0.4975 
1 1 1 1  16 22 o 16 6.71621e+01 3.03397e+01 7.59431e+01 12.833  1.35680e+00  3.09083e-01  0.00000e+00 0.00000e+00 8.36327e+00 192.833 8.43064e+01 192.833 0.5682 
1 1 1 1  16 23 o 1  1.93880e+02 2.76426e+01 6.67730e+01 167.820 -4.30877e+00 9.29990e-01  0.00000e+00 0.00000e+00 2.37990e+02 167.820 1.71217e+02 167.820 0.8776 
1 1 1 1  16 24 o 13 1.72609e+02 2.93018e+01 1.08632e+02 42.073  4.70035e+00  4.24305e+00  0.00000e+00 0.00000e+00 1.78341e+02 42.073  6.97085e+01 42.073  0.9172 
1 1 1 1  16 25 o 7  1.17393e+02 3.24218e+01 5.54903e+01 14.029  2.53554e+00  6.33559e-01  0.00000e+00 0.00000e+00 1.11856e+02 14.029  5.63656e+01 14.029  0.7768 
1 1 1 1  16 26 o 11 6.71070e+01 2.88655e+01 6.81109e+01 253.271 -5.41951e-01 -1.80315e+00 0.00000e+00 0.00000e+00 1.64108e+01 253.271 5.17001e+01 73.271  0.6776 
1 1 1 1  16 27 o 4  5.05425e+01 2.40771e+01 6.11648e+01 121.055 -9.52126e-01 1.58119e+00  0.00000e+00 0.00000e+00 2.70060e+00 121.055 5.84642e+01 301.054 0.6707 
1 1 1 1  16 28 o 10 7.85991e+01 3.42017e+01 5.03125e+01 40.097  1.32531e+00  1.11588e+00  0.00000e+00 0.00000e+00 4.70659e+01 40.097  3.24667e+00 220.097 0.6486 
1 1 1 1  16 29 o 9  1.04634e+02 4.36866e+01 3.00838e+01 141.850 -9.41132e-01 7.39257e-01  0.00000e+00 0.00000e+00 7.36871e+01 141.850 4.36032e+01 141.850 0.5118 
1 1 1 1  16 30 o 3  6.77556e+01 3.10692e+01 3.18005e+01 169.095 -1.39896e+00 2.69532e-01  0.00000e+00 0.00000e+00 4.50897e+01 169.095 1.32892e+01 169.095 0.5770 
1 1 1 1  16 31 o 5  6.97918e+01 3.23059e+01 9.19491e+00 144.782 -3.63760e-01 2.56779e-01  0.00000e+00 0.00000e+00 2.10955e+01 144.782 1.19006e+01 144.782 0.2173 
1 1 1 1  16 32 o 1  6.51196e+01 3.09994e+01 1.69738e+01 68.154  3.05375e-01  7.61707e-01  0.00000e+00 0.00000e+00 3.31455e+01 68.154  1.61717e+01 68.154  0.3793 
1 1 1 1  16 33 o 14 1.00521e+02 4.10749e+01 4.56786e+01 323.246 1.86430e+00  -1.39232e+00 0.00000e+00 0.00000e+00 1.08763e+02 323.246 6.30840e+01 323.246 0.7448 
1 1 1 1  16 34 o 8  6.74694e+01 3.25571e+01 2.28026e+01 237.028 -6.28165e-01 -9.68312e-01 0.00000e+00 0.00000e+00 4.77444e+01 237.028 2.49418e+01 237.028 0.4984 
1 1 1 1  16 35 o 19 4.73531e+01 2.41495e+01 3.93756e+01 131.671 -1.61684e+00 1.81653e+00  0.00000e+00 0.00000e+00 3.71906e+01 131.671 2.18501e+00 311.671 0.7574 
1 1 1 1  16 36 o 1  4.55860e+01 2.33575e+01 2.62966e+01 329.669 1.48067e+00  -8.66293e-01 0.00000e+00 0.00000e+00 3.76161e+01 329.669 1.13195e+01 329.669 0.6451 
1 1 1 1  17 0  o 1  3.45964e+02 2.31174e+01 2.87052e+02 270.000 5.79167e-07  -6.62490e+00 0.00000e+00 0.00000e+00 2.64881e+02 270.000 2.21711e+01 90.000  1.0000 
1 1 1 1  17 1  o 12 2.87962e+02 1.52177e+01 1.93493e+01 281.857 1.52946e-01  -7.28505e-01 0.00000e+00 0.00000e+00 1.40833e+02 281.857 1.21483e+02 281.857 0.3486 
1 1 1 1  17 2  o 11 1.74465e+02 1.44579e+01 1.59780e+02 45.183  2.61203e+00  2.62873e+00  0.00000e+00 0.00000e+00 7.73686e+01 45.183  8.24115e+01 225.183 0.8512 
1 1 1 1  17 3  o 19 2.78199e+02 1.50793e+01 1.80168e+02 328.118 5.57924e+00  -3.47037e+00 0.00000e+00 0.00000e+00 2.29256e+02 328.118 4.90879e+01 328.118 0.9204 
1 1 1 1  17 5  o 11 2.20563e+02 2.31601e+01 1.39766e+02 96.862  -4.25915e-01 3.53943e+00  0.00000e+00 0.00000e+00 1.59247e+02 96.862  1.94805e+01 96.862  0.8444 
1 1 1 1  17 6  o 19 6.26188e+01 1.66840e+01 7.36308e+01 106.635 -1.95818e-01 6.55415e-01  0.00000e+00 0.00000e+00 4.10227e+01 286.635 1.14653e+02 286.635 0.3235 
1 1 1 1  17 7  f 0  2.78118e+02 2.52681e+01 2.54071e+02 355.426 9.75657e+00  -7.80463e-01 0.00000e+00 0.00000e+00 1.71535e+02 355.426 8.25354e+01 175.426 0.9474 
1 1 1 1  17 8  o 17 1.25566e+02 1.70317e+01 3.87340e+01 151.305 -7.18655e-01 3.93369e-01  0.00000e+00 0.00000e+00 3.83650e+01 151.305 3.69061e-01 331.305 0.3787 
1 1 1 1  17 9  o 9  8.31761e+01 2.31462e+01 6.28346e+01 135.669 -6.65240e-01 6.49889e-01  0.00000e+00 0.00000e+00 5.81206e+00 315.669 6.86466e+01 315.669 0.4210 
1 1 1 1  17 10 o 11 1.96973e+02 3.29578e+01 2.03694e+02 38.522  4.25288e+00  3.38562e+00  0.00000e+00 0.00000e+00 8.71842e+01 38.522  1.16509e+02 218.522 0.9026 
1 1 1 1  17 11 o 10 5.26341e+01 1.83247e+01 9.16984e+01 225.605 -6.11344e-01 -6.24399e-01 0.00000e+00 0.00000e+00 5.70773e+01 45.605  1.48776e+02 45.605  0.3999 
1 1 1 1  17 12 o 19 8.12532e+01 2.12326e+01 9.94350e+01 242.294 -8.10768e-01 -1.54386e+00 0.00000e+00 0.00000e+00 1.19421e+01 62.294  1.11377e+02 62.294  0.6509 
1 1 1 1  17 13 o 10 4.45254e+02 1.97183e+01 2.71744e+02 341.489 2.35059e+01  -7.87007e+00 0.00000e+00 0.00000e+00 4.54411e+02 341.489 1.82667e+02 341.489 0.9796 
1 1 1 1  17 14 o 14 7.66165e+01 2.53704e+01 4.53825e+01 215.379 -6.08026e-01 -4.31772e-01 0.00000e+00 0.00000e+00 5.44587e-01 35.379  4.59271e+01 35.379  0.3491 
1 1 1 1  17 15 o 19 9.99553e+01 3.91989e+01 1.33895e+02 149.409 -2.16842e+00 1.28193e+00  0.00000e+00 0.00000e+00 4.43744e+00 329.409 1.38332e+02 329.409 0.7670 
1 1 1 1  17 16 o 17 6.57794e+01 2.67054e+01 1.12008e+02 275.812 1.73660e-01  -1.70600e+00 0.00000e+00 0.00000e+00 3.98147e+01 95.812  1.51822e+02 95.812  0.6449 
1 1 1 1  17 17 o 11 1.43019e+02 4.72069e+01 8.11562e+01 163.600 -2.02653e+00 5.96450e-01  0.00000e+00 0.00000e+00 9.44151e+01 163.600 1.32589e+01 163.600 0.7154 
1 1 1 1  17 18 o 17 2.28173e+02 2.36940e+01 1.00886e+02 166.651 -4.12031e+00 9.77688e-01  0.00000e+00 0.00000e+00 2.43551e+02 166.651 1.42665e+02 166.651 0.8720 
1 1 1 1  17 20 o 10 1.55143e+02 3.50267e+01 6.66328e+01 345.377 1.98174e+00  -5.17048e-01 0.00000e+00 0.00000e+00 1.26520e+02 345.377 5.98874e+01 345.377 0.7055 
1 1 1 1  17 21 o 8  1.50806e+02 3.58000e+01 1.32997e+02 139.642 -3.42753e+00 2.91276e+00  0.00000e+00 0.00000e+00 1.03698e+02 139.642 2.92983e+01 319.642 0.8803 
1 1 1 1  17 22 o 11 1.61675e+02 3.01398e+01 6.59124e+01 48.013  2.34461e+00  2.60513e+00  0.00000e+00 0.00000e+00 1.79269e+02 48.013  1.13356e+02 48.013  0.8414 
1 1 1 1  17 23 o 10 1.33070e+02 4.37235e+01 1.33060e+02 315.530 3.24531e+00  -3.18577e+00 0.00000e+00 0.00000e+00 8.08345e+01 315.530 5.22256e+01 135.530 0.8817 
1 1 1 1  17 24 o 13 9.45043e+01 3.23991e+01 6.03621e+01 212.447 -1.84398e+00 -1.17235e+00 0.00000e+00 0.00000e+00 6.61975e+01 212.447 5.83546e+00 212.447 0.7259 
1 1 1 1  17 25 o 4  8.65960e+01 3.25605e+01 5.81907e+01 245.453 -8.00155e-01 -1.75194e+00 0.00000e+00 0.00000e+00 5.26369e+01 245.453 5.55382e+00 65.453  0.6852 
1 1 1 1  17 26 o 6  1.07082e+02 3.30363e+01 9.39867e+01 13.259  4.24350e+00  9.99915e-01  0.00000e+00 0.00000e+00 8.34892e+01 13.259  1.04975e+01 193.259 0.8761 
1 1 1 1  17 27 o 14 6.33219e+01 2.84142e+01 5.47416e+01 147.054 -1.45700e+00 9.44250e-01  0.00000e+00 0.00000e+00 2.40941e+01 147.054 3.06475e+01 327.054 0.6493 
1 1 1 1  17 28 f 0  7.15677e+01 3.24183e+01 1.84398e+01 146.051 -5.93218e-01 3.99364e-01  0.00000e+00 0.00000e+00 2.83784e+01 146.051 9.93857e+00 146.051 0.3365 
1 1 1 1  17 29 o 17 7.24344e+01 3.50211e+01 1.08578e+02 357.595 4.30835e+00  -1.80977e-01 0.00000e+00 0.00000e+00 1.63572e+01 357.595 9.22207e+01 177.595 0.8745 
1 1 1 1  17 30 o 16 7.80633e+01 3.41721e+01 4.27001e+01 184.303 -2.06548e+00 -1.55426e-01 0.00000e+00 0.00000e+00 6.81167e+01 184.303 2.54166e+01 184.303 0.7091 
1 1 1 1  17 31 o 16 4.82236e+01 2.41510e+01 1.28844e+01 343.764 6.07049e-01  -1.76778e-01 0.00000e+00 0.00000e+00 1.66543e+01 343.764 3.76996e+00 343.764 0.3013 
1 1 1 1  17 32 o 14 7.87819e+01 3.57672e+01 9.95474e+00 40.000  3.62716e-01  3.04360e-01  0.00000e+00 0.00000e+00 2.75271e+01 40.000  1.75724e+01 40.000  0.2304 
1 1 1 1  17 33 o 6  5.59866e+01 2.77906e+01 2.88781e+01 154.268 -1.37608e+00 6.63220e-01  0.00000e+00 0.00000e+00 4.19871e+01 154.268 1.31091e+01 154.268 0.6029 
1 1 1 1  17 34 f 0  6.35218e+01 3.11289e+01 4.05023e+01 323.734 1.69839e+00  -1.24606e+00 0.00000e+00 0.00000e+00 5.64121e+01 323.734 1.59098e+01 323.734 0.7145 
1 1 1 1  17 35 o 19 5.25659e+01 2.63724e+01 1.39969e+01 255.494 -2.09768e-01 -8.10786e-01 0.00000e+00 0.00000e+00 3.00738e+01 255.494 1.60770e+01 255.494 0.3859 
1 1 1 1  18 0  o 9  1.10206e+02 2.77879e+01 8.53315e+01 270.000 6.01236e-08  -6.87734e-01 0.00000e+00 0.00000e+00 2.15229e+01 270.000 6.38086e+01 90.000  0.5965 
1 1 1 1  18 1  o 3  6.62520e+01 1.81051e+01 1.13717e+02 237.339 -5.97568e-01 -9.32204e-01 0.00000e+00 0.00000e+00 6.16788e+01 57.339  1.75396e+02 57.339  0.4831 
1 1 1 1  18 6  o 15 2.71716e+02 2.59884e+01 2.23674e+02 283.872 2.58051e+00  -1.04493e+01 0.00000e+00 0.00000e+00 2.00764e+02 283.872 2.29097e+01 103.872 0.9523 
1 1 1 1  18 7  o 9  9.62899e+01 3.33164e+01 7.61536e+01 219.480 -9.22377e-01 -7.59797e-01 0.00000e+00 0.00000e+00 4.85480e+00 219.480 7.12988e+01 39.480  0.5112 
1 1 1 1  18 8  o 17 1.40811e+02 1.69345e+01 1.75503e+02 104.920 -9.46062e-01 3.55050e+00  0.00000e+00 0.00000e+00 2.21405e+01 104.920 1.53363e+02 284.920 0.8497 
1 1 1 1  18 9  o 17 8.67075e+01 3.46205e+01 2.10636e+02 5.555   2.93202e+00  2.85168e-01  0.00000e+00 0.00000e+00 9.47123e+01 185.555 3.05348e+02 185.555 0.8059 
1 1 1 1  18 10 o 5  1.44100e+02 3.70742e+01 9.20774e+01 185.837 -2.46992e+00 -2.52481e-01 0.00000e+00 0.00000e+00 9.12236e+01 185.837 8.53845e-01 5.837   0.7631 
1 1 1 1  18 11 o 19 1.01191e+02 1.90834e+01 6.36690e+01 272.963 6.98196e-02  -1.34886e+00 0.00000e+00 0.00000e+00 3.07813e+01 272.963 3.28877e+01 92.963  0.5570 
1 1 1 1  18 12 o 10 1.61554e+02 4.21274e+01 1.55399e+02 323.400 3.57878e+00  -2.65789e+00 0.00000e+00 0.00000e+00 8.39744e+01 323.400 7.14249e+01 143.399 0.8791 
1 1 1 1  18 13 o 10 4.79691e+01 2.01506e+01 2.23812e+01 290.127 8.18886e-02  -2.23439e-01 0.00000e+00 0.00000e+00 1.27679e+01 110.127 3.51491e+01 110.127 0.1182 
1 1 1 1  18 14 o 2  3.63547e+02 1.92108e+01 2.53768e+02 143.456 -2.00789e+01 1.48817e+01  0.00000e+00 0.00000e+00 3.54533e+02 143.456 1.00764e+02 143.456 0.9798 
1 1 1 1  18 15 o 2  6.46478e+01 2.53797e+01 9.10697e+01 178.155 -1.38262e+00 4.45301e-02  0.00000e+00 0.00000e+00 2.81293e+01 358.155 1.19199e+02 358.155 0.5659 
1 1 1 1  18 16 o 9  1.66150e+02 2.66756e+01 1.63446e+02 353.200 6.42031e+00  -7.65545e-01 0.00000e+00 0.00000e+00 1.01301e+02 353.200 6.21450e+01 173.200 0.9190 
1 1 1 1  18 17 o 17 9.45666e+01 3.03778e+01 1.15854e+02 149.826 -1.80129e+00 1.04727e+00  0.00000e+00 0.00000e+00 1.70167e+00 149.826 1.14152e+02 329.826 0.7110 
1 1 1 1  18 18 o 11 2.48718e+02 3.06849e+01 2.77011e+02 246.119 -6.15496e+00 -1.39018e+01 0.00000e+00 0.00000e+00 1.46991e+02 246.119 1.30020e+02 66.119  0.9665 
1 1 1 1  18 19 o 1  1.52917e+02 3.27390e+01 7.26975e+01 316.028 1.63591e+00  -1.57823e+00 0.00000e+00 0.00000e+00 1.28187e+02 316.028 5.54895e+01 316.028 0.7379 
1 1 1 1  18 20 o 8  1.62740e+02 3.26077e+01 9.25181e+01 26.770  3.16881e+00  1.59858e+00  0.00000e+00 0.00000e+00 1.54322e+02 26.770  6.18040e+01 26.770  0.8436 
1 1 1 1  18 21 o 4  1.80155e+02 2.85948e+01 7.69299e+01 126.837 -2.50191e+00 3.33990e+00  0.00000e+00 0.00000e+00 2.07748e+02 126.837 1.30818e+02 126.837 0.8699 
1 1 1 1  18 22 o 8  8.03860e+01 3.24744e+01 4.18974e+01 149.657 -9.39621e-01 5.50010e-01  0.00000e+00 0.00000e+00 2.85116e+01 149.657 1.33858e+01 329.657 0.4770 
1 1 1 1  18 23 o 4  9.11995e+01 3.31739e+01 5.97264e+01 13.512  2.00403e+00  4.81551e-01  0.00000e+00 0.00000e+00 6.01262e+01 13.512  3.99877e-01 13.512  0.7076 
1 1 1 1  18 24 o 11 1.46672e+02 3.19167e+01 3.36217e+01 103.123 -4.44968e-01 1.90868e+00  0.00000e+00 0.00000e+00 1.56886e+02 103.123 1.23264e+02 103.123 0.6911 
1 1 1 1  18 25 o 4  1.12577e+02 3.30265e+01 1.02398e+02 288.265 1.57428e+00  -4.77006e+00 0.00000e+00 0.00000e+00 8.90964e+01 288.265 1.33012e+01 108.265 0.8939 
1 1 1 1  18 26 o 18 7.75626e+01 3.10424e+01 3.58708e+01 49.624  9.01776e-01  1.06049e+00  0.00000e+00 0.00000e+00 4.90906e+01 49.624  1.32198e+01 49.624  0.5683 
1 1 1 1  18 27 o 17 1.14123e+02 3.83302e+01 7.17726e+01 118.697 -1.68360e+00 3.07548e+00  0.00000e+00 0.00000e+00 1.15807e+02 118.697 4.40346e+01 118.697 0.8414 
1 1 1 1  18 28 f 0  7.00175e+01 3.09420e+01 6.19670e+01 229.588 -1.69860e+00 -1.99500e+00 0.00000e+00 0.00000e+00 4.58551e+01 229.588 1.61119e+01 49.588  0.7775 
1 1 1 1  18 29 o 15 6.06306e+01 2.87509e+01 3.43901e+01 18.529  1.46636e+00  4.91473e-01  0.00000e+00 0.00000e+00 3.96133e+01 18.529  5.22311e+00 18.529  0.6074 
1 1 1 1  18 30 f 0  6.55413e+01 3.09476e+01 3.96623e+01 54.766  1.07937e+00  1.52819e+00  0.00000e+00 0.00000e+00 5.06200e+01 54.766  1.09577e+01 54.766  0.6754 
1 1 1 1  18 31 o 6  6.60578e+01 3.11779e+01 4.05190e+01 176.136 -1.96405e+00 1.32650e-01  0.00000e+00 0.00000e+00 5.42302e+01 176.136 1.37111e+01 176.136 0.6925 
1 1 1 1  18 32 o 16 6.14017e+01 2.97919e+01 2.52745e+01 293.514 5.31834e-01  -1.22234e+00 0.00000e+00 0.00000e+00 4.60566e+01 293.514 2.07820e+01 293.514 0.5521 
1 1 1 1  18 33 o 19 5.47914e+01 2.69972e+01 1.84963e+01 155.811 -9.66626e-01 4.34198e-01  0.00000e+00 0.00000e+00 3.62532e+01 155.811 1.77569e+01 155.811 0.4671 
1 1 1 1  18 34 o 9  4.75401e+01 2.40371e+01 2.65281e+01 162.450 -1.56024e+00 4.93453e-01  0.00000e+00 0.00000e+00 3.84321e+01 162.450 1.19040e+01 162.450 0.6281 
1 1 1 1  18 35 o 11 5.38226e+01 2.69550e+01 2.42277e+01 340.966 1.35787e+00  -4.68457e-01 0.00000e+00 0.00000e+00 4.48799e+01 340.966 2.06522e+01 340.966 0.5800 
1 1 1 1  19 0  o 15 4.85665e+01 2.77060e+01 3.43513e+01 270.000 1.34269e-08  -1.53586e-01 0.00000e+00 0.00000e+00 2.20820e+01 90.000  5.64333e+01 90.000  0.1524 
1 1 1 1  19 1  o 17 1.42707e+02 1.60043e+01 6.99939e+01 109.378 -6.21180e-01 1.76610e+00  0.00000e+00 0.00000e+00 8.98837e+01 109.378 1.98898e+01 109.378 0.6756 
1 1 1 1  19 2  o 14 1.12686e+02 1.68950e+01 1.36200e+02 195.650 -2.74214e+00 -7.68193e-01 0.00000e+00 0.00000e+00 1.30356e+01 195.650 1.23165e+02 15.650  0.7981 
1 1 1 1  19 4  o 12 1.66582e+02 2.76712e+01 1.66906e+02 137.541 -2.92838e+00 2.67953e+00  0.00000e+00 0.00000e+00 7.21951e+01 137.541 9.47112e+01 317.541 0.8623 
1 1 1 1  19 5  o 9  1.37686e+02 3.22668e+01 1.36353e+02 104.166 -6.25801e-01 2.47932e+00  0.00000e+00 0.00000e+00 4.07588e+01 104.166 9.55942e+01 284.166 0.7711 
1 1 1 1  19 6  o 4  4.89056e+01 1.55588e+01 9.57248e+01 336.517 8.04064e-01  -3.49326e-01 0.00000e+00 0.00000e+00 6.29182e+01 156.517 1.58643e+02 156.517 0.4010 
1 1 1 1  19 7  o 17 9.68184e+01 3.46540e+01 1.31583e+02 170.977 -2.46198e+00 3.90938e-01  0.00000e+00 0.00000e+00 7.39878e+00 350.977 1.38982e+02 350.977 0.7642 
1 1 1 1  19 8  o 14 9.53104e+01 3.55960e+01 1.57890e+02 179.988 -2.85323e+00 5.88904e-04  0.00000e+00 0.00000e+00 2.96678e+01 359.988 1.87558e+02 359.988 0.7985 
1 1 1 1  19 9  o 19 2.21843e+02 3.25414e+01 1.35400e+02 340.958 5.31800e+00  -1.83553e+00 0.00000e+00 0.00000e+00 2.04720e+02 340.958 6.93195e+01 340.958 0.9061 
1 1 1 1  19 10 o 8  1.57463e+02 1.96976e+01 1.91591e+02 297.889 3.19232e+00  -6.03198e+00 0.00000e+00 0.00000e+00 5.56416e+01 297.889 1.35949e+02 117.889 0.9235 
1 1 1 1  19 11 o 2  6.76510e+01 1.90939e+01 1.67721e+01 107.551 -7.75874e-02 2.45313e-01  0.00000e+00 0.00000e+00 2.01916e+00 287.551 1.87913e+01 287.551 0.1276 
1 1 1 1  19 12 o 13 7.89312e+01 2.08766e+01 2.92696e+01 96.114  -5.68109e-02 5.30356e-01  0.00000e+00 0.00000e+00 5.68937e+00 96.114  2.35803e+01 276.114 0.2576 
1 1 1 1  19 13 o 1  8.14051e+01 2.29818e+01 1.03113e+02 305.173 1.18983e+00  -1.68837e+00 0.00000e+00 0.00000e+00 3.37275e+00 125.173 1.06486e+02 125.173 0.7082 
1 1 1 1  19 14 o 2  5.93386e+01 2.36313e+01 1.22122e+02 169.550 -1.67813e+00 3.09498e-01  0.00000e+00 0.00000e+00 5.56463e+01 349.550 1.77768e+02 349.550 0.6432 
1 1 1 1  19 15 f 0  1.19700e+02 2.90503e+01 1.27395e+02 103.876 -6.62919e-01 2.68348e+00  0.00000e+00 0.00000e+00 3.87151e+01 103.876 8.86794e+01 283.876 0.7909 
1 1 1 1  19 16 o 13 9.21290e+01 2.95315e+01 1.90149e+01 105.689 -9.05854e-02 3.22512e-01  0.00000e+00 0.00000e+00 7.89692e+00 105.689 1.11180e+01 285.689 0.1652 
1 1 1 1  19 17 o 17 6.46427e+01 2.72454e+01 5.71466e+01 132.854 -5.37167e-01 5.78982e-01  0.00000e+00 0.00000e+00 1.48447e+01 312.854 7.19913e+01 312.854 0.3670 
1 1 1 1  19 18 o 1  2.59910e+02 4.74323e+01 2.10869e+02 330.667 8.13418e+00  -4.57083e+00 0.00000e+00 0.00000e+00 2.30875e+02 330.667 2.00059e+01 330.667 0.9448 
1 1 1 1  19 19 o 8  1.47422e+02 3.19275e+01 7.59894e+01 356.074 2.66544e+00  -1.82908e-01 0.00000e+00 0.00000e+00 1.33463e+02 356.074 5.74735e+01 356.074 0.7825 
1 1 1 1  19 20 o 8  2.26196e+02 2.49659e+01 2.72608e+02 120.983 -1.01406e+01 1.68879e+01  0.00000e+00 0.00000e+00 1.31506e+02 120.983 1.41103e+02 300.983 0.9743 
1 1 1 1  19 21 o 7  9.58852e+01 3.40803e+01 7.62071e+01 325.412 1.89086e+00  -1.30381e+00 0.00000e+00 0.00000e+00 5.54290e+01 325.412 2.07781e+01 145.412 0.7410 
1 1 1 1  19 22 o 18 1.77358e+02 2.81075e+01 2.31961e+02 300.900 9.01559e+00  -1.50637e+01 0.00000e+00 0.00000e+00 9.06251e+01 300.900 1.41336e+02 120.900 0.9711 
1 1 1 1  19 23 o 3  1.07704e+02 3.41177e+01 5.48111e+01 159.535 -2.09264e+00 7.80939e-01  0.00000e+00 0.00000e+00 9.46698e+01 159.535 3.98587e+01 159.535 0.7326 
1 1 1 1  19 24 o 17 9.14044e+01 3.17108e+01 7.06262e+01 132.132 -1.96415e+00 2.17135e+00  0.00000e+00 0.00000e+00 7.03382e+01 132.132 2.87921e-01 312.132 0.8045 
1 1 1 1  19 25 o 7  8.38383e+01 3.15751e+01 8.32762e+01 341.414 3.27147e+00  -1.10008e+00 0.00000e+00 0.00000e+00 5.31624e+01 341.414 3.01139e+01 161.414 0.8385 
1 1 1 1  19 26 o 7  5.71729e+01 2.64741e+01 5.41781e+01 165.589 -1.90215e+00 4.88788e-01  0.00000e+00 0.00000e+00 2.35737e+01 165.589 3.06044e+01 345.589 0.6918 
1 1 1 1  19 27 o 5  4.89590e+01 2.41051e+01 2.50877e+01 240.926 -4.44225e-01 -7.98979e-01 0.00000e+00 0.00000e+00 1.54077e+01 240.926 9.68004e+00 60.926  0.4152 
1 1 1 1  19 28 f 0  7.67132e+01 3.28692e+01 7.00262e+01 310.581 2.12901e+00  -2.48564e+00 0.00000e+00 0.00000e+00 5.83379e+01 310.581 1.16883e+01 130.581 0.8283 
1 1 1 1  19 29 o 5  5.86231e+01 2.81151e+01 4.31938e+01 124.979 -1.21065e+00 1.73034e+00  0.00000e+00 0.00000e+00 4.27460e+01 124.979 4.47817e-01 304.979 0.7153 
1 1 1 1  19 30 o 9  6.30827e+01 3.16499e+01 3.22809e+01 132.678 -9.83249e-01 1.06635e+00  0.00000e+00 0.00000e+00 4.43067e+01 132.678 1.20258e+01 132.678 0.5837 
1 1 1 1  19 31 o 17 4.50602e+01 2.26389e+01 2.87898e+01 340.693 1.49415e+00  -5.23451e-01 0.00000e+00 0.00000e+00 2.98475e+01 340.693 1.05768e+00 340.693 0.6160 
1 1 1 1  19 32 f 0  5.79969e+01 2.81589e+01 2.69485e+01 71.153  4.60826e-01  1.35001e+00  0.00000e+00 0.00000e+00 4.49269e+01 71.153  1.79785e+01 71.153  0.5774 
1 1 1 1  19 33 o 19 5.85640e+01 2.86588e+01 3.15426e+01 342.902 1.70880e+00  -5.25633e-01 0.00000e+00 0.00000e+00 5.27419e+01 342.902 2.11992e+01 342.902 0.6597 
1 1 1 1  19 34 o 17 5.42234e+01 2.70007e+01 1.72595e+01 3.186   1.00468e+00  5.59297e-02  0.00000e+00 0.00000e+00 3.67131e+01 3.186   1.94536e+01 3.186   0.4486 
1 1 1 1  20 1  o 3  5.85922e+01 2.02242e+01 6.92622e+01 80.141  1.25786e-01  7.23790e-01  0.00000e+00 0.00000e+00 3.50803e+01 260.141 1.04343e+02 260.141 0.3446 
1 1 1 1  20 2  o 13 5.29373e+01 1.91442e+01 4.77449e+01 324.900 4.72753e-01  -3.32254e-01 0.00000e+00 0.00000e+00 2.28559e+01 144.900 7.06008e+01 144.900 0.2775 
1 1 1 1  20 3  o 17 5.11292e+01 1.81850e+01 6.19040e+01 196.733 -6.92244e-01 -2.08115e-01 0.00000e+00 0.00000e+00 3.24383e+01 16.733  9.43422e+01 16.733  0.3397 
1 1 1 1  20 4  o 19 4.27070e+01 1.52469e+01 8.13865e+01 128.993 -5.03488e-01 6.21918e-01  0.00000e+00 0.00000e+00 5.44491e+01 308.993 1.35836e+02 308.993 0.3711 
1 1 1 1  20 5  o 3  6.38582e+01 1.81735e+01 8.66612e+01 323.907 9.70896e-01  -7.07818e-01 0.00000e+00 0.00000e+00 3.08343e+01 143.907 1.17495e+02 143.907 0.5133 
1 1 1 1  20 6  o 11 1.59593e+02 3.25345e+01 5.70219e+01 357.892 1.71427e+00  -6.31036e-02 0.00000e+00 0.00000e+00 1.18816e+02 357.892 6.17943e+01 357.892 0.6451 
1 1 1 1  20 7  o 16 2.09229e+02 3.10605e+01 2.40872e+02 113.976 -4.22976e+00 9.51074e+00  0.00000e+00 0.00000e+00 9.99914e+01 113.976 1.40880e+02 293.976 0.9507 
1 1 1 1  20 8  o 3  6.72509e+01 2.99648e+01 5.30588e+01 341.795 7.11862e-01  -2.34114e-01 0.00000e+00 0.00000e+00 1.24973e+01 161.795 6.55560e+01 161.795 0.3506 
1 1 1 1  20 10 o 12 1.15786e+02 4.10282e+01 3.67367e+01 230.176 -5.05841e-01 -6.06610e-01 0.00000e+00 0.00000e+00 3.70289e+01 230.176 2.92208e-01 230.176 0.3670 
1 1 1 1  20 11 o 17 1.01873e+02 1.58767e+01 9.47297e+01 112.418 -1.02527e+00 2.48525e+00  0.00000e+00 0.00000e+00 4.46500e+01 112.418 5.00797e+01 292.418 0.7840 
1 1 1 1  20 12 o 3  2.88161e+02 3.78874e+01 2.70067e+02 106.486 -4.45941e+00 1.50683e+01  0.00000e+00 0.00000e+00 2.19349e+02 106.486 5.07175e+01 286.486 0.9676 
1 1 1 1  20 13 o 9  1.63836e+02 1.60492e+01 6.58408e+01 233.657 -1.70584e+00 -2.31860e+00 0.00000e+00 0.00000e+00 1.65836e+02 233.657 9.99956e+01 233.657 0.8006 
1 1 1 1  20 14 o 19 2.92992e+02 1.93908e+01 3.22483e+02 289.878 6.23561e+00  -1.72467e+01 0.00000e+00 0.00000e+00 1.84156e+02 289.878 1.38327e+02 109.878 0.9723 
1 1 1 1  20 15 o 10 1.92695e+02 2.48791e+01 1.57692e+02 60.146  3.64914e+00  6.35797e+00  0.00000e+00 0.00000e+00 1.63017e+02 60.146  5.32431e+00 60.146  0.9291 
1 1 1 1  20 16 o 11 6.22621e+01 2.59723e+01 5.76589e+01 203.325 -7.11286e-01 -3.06690e-01 0.00000e+00 0.00000e+00 1.70910e+01 23.325  7.47499e+01 23.325  0.3609 
1 1 1 1  20 17 o 10 2.49138e+02 2.24832e+01 1.90462e+02 241.995 -5.16933e+00 -9.72013e+00 0.00000e+00 0.00000e+00 2.41994e+02 241.995 5.15324e+01 241.995 0.9534 
1 1 1 1  20 18 o 8  1.79800e+02 4.75293e+01 9.79493e+01 5.132   3.62316e+00  3.25389e-01  0.00000e+00 0.00000e+00 1.82092e+02 5.132   8.41425e+01 5.132   0.8480 
1 1 1 1  20 19 o 8  9.23084e+01 3.15761e+01 6.58171e+01 48.252  1.30677e+00  1.46423e+00  0.00000e+00 0.00000e+00 5.25266e+01 48.252  1.32905e+01 228.252 0.6915 
1 1 1 1  20 20 o 17 7.79762e+01 3.14055e+01 1.37435e+02 210.759 -3.05416e+00 -1.81772e+00 0.00000e+00 0.00000e+00 1.42358e+01 30.759  1.51671e+02 30.759  0.8439 
1 1 1 1  20 21 o 7  8.96404e+01 3.25891e+01 2.99441e+01 278.657 1.55685e-01  -1.02251e+00 0.00000e+00 0.00000e+00 4.77902e+01 278.657 1.78461e+01 278.657 0.4584 
1 1 1 1  20 22 o 10 1.09322e+02 3.44915e+01 7.36045e+01 27.549  2.67863e+00  1.39733e+00  0.00000e+00 0.00000e+00 9.60569e+01 27.549  2.24524e+01 27.549  0.8115 
1 1 1 1  20 23 o 18 8.71766e+01 3.17710e+01 2.79329e+01 15.479  1.04971e+00  2.90692e-01  0.00000e+00 0.00000e+00 5.25147e+01 15.479  2.45817e+01 15.479  0.4771 
1 1 1 1  20 24 o 10 6.98751e+01 2.87739e+01 2.36402e+01 310.166 5.74923e-01  -6.81152e-01 0.00000e+00 0.00000e+00 3.19630e+01 310.166 8.32281e+00 310.166 0.4066 
1 1 1 1  20 25 o 17 8.16296e+01 3.28544e+01 7.18083e+01 115.242 -1.13677e+00 2.41121e+00  0.00000e+00 0.00000e+00 5.46647e+01 115.242 1.71436e+01 295.242 0.7819 
1 1 1 1  20 26 f 0  7.12253e+01 2.94121e+01 5.57018e+01 143.547 -1.96649e+00 1.45263e+00  0.00000e+00 0.00000e+00 5.27878e+01 143.547 2.91401e+00 323.547 0.7589 
1 1 1 1  20 27 o 15 8.52479e+01 3.35781e+01 1.88629e+01 298.687 4.56944e-01  -8.35076e-01 0.00000e+00 0.00000e+00 5.55474e+01 298.687 3.66845e+01 298.687 0.4291 
1 1 1 1  20 28 o 4  5.53955e+01 2.61953e+01 3.23174e+01 1.533   1.57175e+00  4.20600e-02  0.00000e+00 0.00000e+00 3.77822e+01 1.533   5.46481e+00 1.533   0.6135 
1 1 1 1  20 29 o 17 9.01610e+01 3.51424e+01 6.73623e+01 133.140 -2.48270e+00 2.64936e+00  0.00000e+00 0.00000e+00 9.25571e+01 133.140 2.51949e+01 133.140 0.8477 
1 1 1 1  20 30 o 12 6.12943e+01 3.10270e+01 4.11430e+01 183.207 -1.86647e+00 -1.04566e-01 0.00000e+00 0.00000e+00 4.67438e+01 183.207 5.60079e+00 183.207 0.6751 
1 1 1 1  20 31 o 6  5.41284e+01 2.65623e+01 5.93453e+01 337.130 2.95408e+00  -1.24600e+00 0.00000e+00 0.00000e+00 3.68671e+01 337.130 2.24782e+01 157.130 0.8241 
1 1 1 1  20 32 o 12 6.33659e+01 3.03136e+01 3.02519e+01 278.653 2.42675e-01  -1.59461e+00 0.00000e+00 0.00000e+00 5.62330e+01 278.653 2.59812e+01 278.653 0.6228 
1 1 1 1  20 33 o 9  4.56182e+01 2.31412e+01 1.42045e+01 220.370 -6.79077e-01 -5.77328e-01 0.00000e+00 0.00000e+00 2.71084e+01 220.370 1.29038e+01 220.370 0.4066 
1 1 1 1  21 0  o 14 7.62320e+01 3.54833e+01 1.24003e+02 270.000 -6.41826e-17 -1.04818e+00 0.00000e+00 0.00000e+00 2.09891e+01 90.000  1.44992e+02 90.000  0.7811 
1 1 1 1  21 1  o 1  4.91845e+01 2.00893e+01 8.66631e+01 288.293 3.09701e-01  -9.36839e-01 0.00000e+00 0.00000e+00 4.90728e+01 108.293 1.35736e+02 108.293 0.4417 
1 1 1 1  21 2  o 5  6.22088e+01 2.16953e+01 1.14653e+01 50.978  1.02143e-01  1.26039e-01  0.00000e+00 0.00000e+00 2.75525e+00 230.978 1.42206e+01 230.978 0.0809 
1 1 1 1  21 3  o 18 1.47334e+02 2.10357e+01 1.42886e+02 93.932  -3.27888e-01 4.77032e+00  0.00000e+00 0.00000e+00 8.39861e+01 93.932  5.88996e+01 273.932 0.8881 
1 1 1 1  21 4  o 6  6.71065e+01 1.91906e+01 3.73168e+01 12.238  5.73768e-01  1.24451e-01  0.00000e+00 0.00000e+00 4.49297e+00 192.238 4.18098e+01 192.238 0.2816 
1 1 1 1  21 6  o 13 8.17769e+01 3.21410e+01 6.74758e+01 124.684 -6.68350e-01 9.65793e-01  0.00000e+00 0.00000e+00 4.59420e+00 124.684 6.28816e+01 304.684 0.5048 
1 1 1 1  21 7  o 14 7.33235e+01 3.10988e+01 4.77873e+01 352.188 7.36621e-01  -1.01067e-01 0.00000e+00 0.00000e+00 3.06430e+00 172.188 5.08516e+01 172.188 0.3482 
1 1 1 1  21 8  o 18 6.97026e+01 3.11256e+01 6.76779e+01 52.292  6.95999e-01  9.00253e-01  0.00000e+00 0.00000e+00 7.24530e+00 232.292 7.49232e+01 232.292 0.4931 
1 1 1 1  21 9  o 10 7.74166e+01 3.42351e+01 1.31254e+02 51.332  1.38276e+00  1.72796e+00  0.00000e+00 0.00000e+00 3.14866e+01 231.332 1.62740e+02 231.332 0.7298 
1 1 1 1  21 10 o 8  1.34137e+02 4.45377e+01 9.87236e+01 262.830 -3.04390e-01 -2.41954e+00 0.00000e+00 0.00000e+00 8.17053e+01 262.830 1.70183e+01 82.830  0.7582 
1 1 1 1  21 11 o 10 8.33027e+01 2.61167e+01 3.39561e+01 211.599 -5.89021e-01 -3.62353e-01 0.00000e+00 0.00000e+00 1.45746e+01 211.599 1.93815e+01 31.599  0.3266 
1 1 1 1  21 12 o 1  1.40812e+02 4.95088e+01 1.19153e+02 208.310 -2.12747e+00 -1.14600e+00 0.00000e+00 0.00000e+00 7.17244e+01 208.310 4.74287e+01 28.310  0.7556 
1 1 1 1  21 13 o 7  7.72386e+01 2.10640e+01 6.94470e+01 176.399 -1.11586e+00 7.02287e-02  0.00000e+00 0.00000e+00 1.58570e+00 356.399 7.10327e+01 356.399 0.4867 
1 1 1 1  21 14 o 9  1.28606e+02 1.92521e+01 9.71809e+01 78.971  5.59731e-01  2.87168e+00  0.00000e+00 0.00000e+00 9.08458e+01 78.971  6.33513e+00 258.971 0.8043 
1 1 1 1  21 15 f 0  3.15708e+01 1.52692e+01 1.34732e+02 205.302 -9.52995e-01 -4.50526e-01 0.00000e+00 0.00000e+00 1.07838e+02 25.302  2.42570e+02 25.302  0.4652 
1 1 1 1  21 16 o 1  6.08875e+01 2.41033e+01 1.30661e+02 279.392 3.50503e-01  -2.11907e+00 0.00000e+00 0.00000e+00 4.96911e+01 99.392  1.80352e+02 99.392  0.7206 
1 1 1 1  21 17 o 8  1.54862e+02 1.98474e+01 4.98132e+01 29.746  2.36115e+00  1.34932e+00  0.00000e+00 0.00000e+00 1.76948e+02 29.746  1.27135e+02 29.746  0.7869 
1 1 1 1  21 18 o 4  1.32463e+02 2.30697e+01 1.60695e+02 123.479 -4.40193e+00 6.65581e+00  0.00000e+00 0.00000e+00 7.18321e+01 123.479 8.88627e+01 303.479 0.9351 
1 1 1 1  21 19 o 7  8.64932e+01 3.73461e+01 9.68592e+01 31.493  2.09754e+00  1.28504e+00  0.00000e+00 0.00000e+00 2.77942e+01 31.493  6.90650e+01 211.493 0.7606 
1 1 1 1  21 20 o 7  9.99130e+01 2.66713e+01 1.31777e+02 289.916 1.98222e+00  -5.47115e+00 0.00000e+00 0.00000e+00 4.21083e+01 289.916 8.96684e+01 109.916 0.9095 
1 1 1 1  21 21 o 1  6.82856e+01 2.66383e+01 3.18746e+01 7.912   9.79477e-01  1.36131e-01  0.00000e+00 0.00000e+00 2.65415e+01 7.912   5.33316e+00 187.912 0.4424 
1 1 1 1  21 22 o 9  5.82916e+01 2.49031e+01 8.88463e+01 119.588 -1.40247e+00 2.46995e+00  0.00000e+00 0.00000e+00 2.01291e+00 119.588 8.68334e+01 299.588 0.7975 
1 1 1 1  21 23 o 8  9.35412e+01 2.77597e+01 6.69744e+01 277.685 4.66848e-01  -3.45980e+00 0.00000e+00 0.00000e+00 8.84790e+01 277.685 2.15045e+01 277.685 0.8406 
1 1 1 1  21 24 o 6  9.15579e+01 3.04618e+01 1.18464e+02 343.092 5.07370e+00  -1.54232e+00 0.00000e+00 0.00000e+00 4.63731e+01 343.092 7.20911e+01 163.092 0.9000 
1 1 1 1  21 25 o 3  7.22781e+01 2.90198e+01 1.84953e+01 28.496  7.34956e-01  3.98975e-01  0.00000e+00 0.00000e+00 3.79206e+01 28.496  1.94253e+01 28.496  0.3854 
1 1 1 1  21 26 o 7  7.87914e+01 3.20537e+01 2.03810e+01 147.384 -8.20329e-01 5.24950e-01  0.00000e+00 0.00000e+00 5.02697e+01 147.384 2.98887e+01 147.384 0.4371 
1 1 1 1  21 27 o 14 5.35093e+01 2.54411e+01 1.22658e+01 294.932 2.51950e-01  -5.41983e-01 0.00000e+00 0.00000e+00 1.95804e+01 294.932 7.31458e+00 294.932 0.2862 
1 1 1 1  21 28 o 14 6.68889e+01 2.99004e+01 4.39032e+01 77.422  4.85257e-01  2.17484e+00  0.00000e+00 0.00000e+00 5.93094e+01 77.422  1.54062e+01 77.422  0.7319 
1 1 1 1  21 29 o 2  6.53854e+01 2.98211e+01 4.67102e+01 91.095  -4.58564e-02 2.39850e+00  0.00000e+00 0.00000e+00 5.86666e+01 91.095  1.19564e+01 91.095  0.7535 
1 1 1 1  21 30 o 14 5.50955e+01 2.68370e+01 5.04867e+01 278.327 3.96418e-01  -2.70854e+00 0.00000e+00 0.00000e+00 4.38219e+01 278.327 6.66482e+00 98.327  0.7885 
1 1 1 1  21 31 o 13 5.84105e+01 2.98700e+01 1.00166e+01 295.637 2.19049e-01  -4.56426e-01 0.00000e+00 0.00000e+00 2.15761e+01 295.637 1.15595e+01 295.637 0.2454 
1 1 1 1  21 32 o 14 5.61663e+01 2.75902e+01 8.07673e+00 66.003  1.86204e-01  4.18288e-01  0.00000e+00 0.00000e+00 1.99931e+01 66.003  1.19164e+01 66.003  0.2231 
1 1 1 1  21 33 o 18 4.74211e+01 2.39844e+01 5.77373e+00 251.157 -1.17044e-01 -3.42967e-01 0.00000e+00 0.00000e+00 1.34749e+01 251.157 7.70119e+00 251.157 0.1783 
1 1 1 1  22 1  o 11 7.80803e+01 2.43236e+01 1.26979e+02 157.504 -2.10223e+00 8.70617e-01  0.00000e+00 0.00000e+00 2.49259e+01 337.504 1.51905e+02 337.504 0.7382 
1 1 1 1  22 2  o 10 3.43951e+01 1.63294e+01 1.05934e+02 85.582  6.87030e-02  8.89193e-01  0.00000e+00 0.00000e+00 8.11438e+01 265.582 1.87078e+02 265.582 0.4068 
1 1 1 1  22 3  o 13 4.44609e+01 1.83789e+01 8.01498e+01 285.653 2.71937e-01  -9.70485e-01 0.00000e+00 0.00000e+00 4.47190e+01 105.653 1.24869e+02 105.653 0.4492 
1 1 1 1  22 4  o 7  5.76828e+01 1.91345e+01 9.17000e+01 159.964 -1.38357e+00 5.04577e-01  0.00000e+00 0.00000e+00 3.12839e+01 339.963 1.22984e+02 339.963 0.5893 
1 1 1 1  22 5  o 4  4.54180e+01 1.58069e+01 8.15880e+01 207.938 -8.81665e-01 -4.67563e-01 0.00000e+00 0.00000e+00 4.55312e+01 27.938  1.27119e+02 27.938  0.4457 
1 1 1 1  22 7  o 9  2.88155e+02 3.25464e+01 2.93732e+02 315.296 1.31487e+01  -1.30137e+01 0.00000e+00 0.00000e+00 2.08527e+02 315.296 8.52051e+01 135.296 0.9726 
1 1 1 1  22 8  f 0  9.38439e+01 3.88342e+01 6.78681e+01 75.743  3.28692e-01  1.29359e+00  0.00000e+00 0.00000e+00 2.54107e+01 75.743  4.24574e+01 255.743 0.5525 
1 1 1 1  22 9  o 5  1.07472e+02 4.31920e+01 2.03117e+02 113.354 -1.67389e+00 3.87667e+00  0.00000e+00 0.00000e+00 3.38868e+01 293.354 2.37003e+02 293.354 0.8716 
1 1 1 1  22 10 o 9  1.03425e+02 4.32183e+01 5.33640e+01 171.149 -8.49459e-01 1.32274e-01  0.00000e+00 0.00000e+00 2.07003e+01 171.149 3.26637e+01 351.149 0.3945 
1 1 1 1  22 11 o 6  9.78797e+01 4.22765e+01 1.12574e+02 271.414 4.53999e-02  -1.83911e+00 0.00000e+00 0.00000e+00 7.03749e+00 271.414 1.05536e+02 91.414  0.6696 
1 1 1 1  22 12 o 7  2.59965e+02 4.56602e+01 1.81153e+02 339.893 7.62761e+00  -2.79230e+00 0.00000e+00 0.00000e+00 2.65619e+02 339.893 8.44653e+01 339.893 0.9363 
1 1 1 1  22 13 o 12 5.41738e+01 1.86056e+01 1.53793e+01 169.446 -2.00841e-01 3.74211e-02  0.00000e+00 0.00000e+00 5.21021e+00 349.445 2.05895e+01 349.445 0.1016 
1 1 1 1  22 14 o 16 1.12246e+02 2.00219e+01 1.00514e+02 133.278 -1.85996e+00 1.97528e+00  0.00000e+00 0.00000e+00 6.36378e+01 133.278 3.68759e+01 313.278 0.7863 
1 1 1 1  22 16 o 16 7.24767e+01 2.45600e+01 8.26621e+01 175.746 -1.95994e+00 1.45790e-01  0.00000e+00 0.00000e+00 1.20381e+01 175.746 7.06240e+01 355.746 0.6920 
1 1 1 1  22 17 o 11 8.73298e+01 2.62943e+01 7.58668e+01 49.082  1.44733e+00  1.66980e+00  0.00000e+00 0.00000e+00 4.54093e+01 49.082  3.04575e+01 229.082 0.7294 
1 1 1 1  22 18 o 8  1.18765e+02 2.55435e+01 1.40868e+02 296.333 2.83611e+00  -5.73018e+00 0.00000e+00 0.00000e+00 6.85703e+01 296.333 7.22979e+01 116.333 0.9181 
1 1 1 1  22 19 o 18 5.85567e+01 2.58440e+01 6.50519e+01 245.130 -7.65820e-01 -1.65206e+00 0.00000e+00 0.00000e+00 1.05680e+01 245.130 5.44840e+01 65.130  0.6661 
1 1 1 1  22 20 o 10 6.52931e+01 2.66971e+01 8.65250e+01 6.733   2.49520e+00  2.94572e-01  0.00000e+00 0.00000e+00 1.14492e+01 6.733   7.50759e+01 186.733 0.7664 
1 1 1 1  22 21 o 9  9.27219e+01 2.78430e+01 7.82540e+01 76.075  8.83538e-01  3.56347e+00  0.00000e+00 0.00000e+00 7.75904e+01 76.075  6.63565e-01 256.075 0.8496 
1 1 1 1  22 22 o 5  5.41315e+01 2.42581e+01 6.67440e+01 170.389 -2.20823e+00 3.73925e-01  0.00000e+00 0.00000e+00 1.26593e+01 170.389 5.40847e+01 350.389 0.7335 
1 1 1 1  22 23 o 8  4.07913e+01 1.97402e+01 3.83998e+01 293.202 4.11081e-01  -9.59021e-01 0.00000e+00 0.00000e+00 3.16045e-01 113.202 3.87158e+01 113.202 0.4616 
1 1 1 1  22 24 o 3  5.09485e+01 2.36933e+01 4.57849e+01 248.278 -6.57680e-01 -1.65082e+00 0.00000e+00 0.00000e+00 2.27864e+01 248.278 2.29986e+01 68.278  0.6575 
1 1 1 1  22 25 o 11 6.93423e+01 2.90935e+01 2.80875e+01 287.467 3.98935e-01  -1.26782e+00 0.00000e+00 0.00000e+00 5.10853e+01 287.467 2.29978e+01 287.467 0.5510 
1 1 1 1  22 26 o 18 5.28065e+01 2.52916e+01 7.23234e+00 198.498 -3.31787e-01 -1.11004e-01 0.00000e+00 0.00000e+00 1.18678e+01 198.498 4.63547e+00 198.498 0.1723 
1 1 1 1  22 27 o 12 4.30608e+01 2.13633e+01 6.95176e+00 4.344   3.48605e-01  2.64828e-02  0.00000e+00 0.00000e+00 8.82179e+00 4.344   1.87003e+00 4.344   0.1722 
1 1 1 1  22 28 o 11 5.49309e+01 2.62404e+01 1.77254e+01 75.835  2.19983e-01  8.71582e-01  0.00000e+00 0.00000e+00 3.07884e+01 75.835  1.30630e+01 75.835  0.4094 
1 1 1 1  22 29 o 1  5.89065e+01 2.79183e+01 1.34926e+01 94.897  -6.31483e-02 7.36995e-01  0.00000e+00 0.00000e+00 3.11945e+01 94.897  1.77019e+01 94.897  0.3467 
1 1 1 1  22 30 o 15 6.45180e+01 3.00935e+01 5.11847e+01 347.459 2.65257e+00  -5.90045e-01 0.00000e+00 0.00000e+00 6.15535e+01 347.459 1.03688e+01 347.459 0.7867 
1 1 1 1  22 31 o 14 4.98934e+01 2.57636e+01 2.47358e+01 213.343 -1.16847e+00 -7.68794e-01 0.00000e+00 0.00000e+00 3.94191e+01 213.343 1.46833e+01 213.343 0.5701 
1 1 1 1  22 32 o 12 5.16734e+01 2.57227e+01 4.01159e+01 193.294 -2.35091e+00 -5.55485e-01 0.00000e+00 0.00000e+00 4.93498e+01 193.294 9.23389e+00 193.294 0.7555 
1 1 1 1  23 0  o 9  1.73089e+02 3.08670e+01 1.40482e+02 90.000  -2.63672e-07 3.01605e+00  0.00000e+00 0.00000e+00 1.71846e+02 90.000  3.13642e+01 90.000  0.9952 
1 1 1 1  23 1  o 13 7.43764e+01 2.55015e+01 9.70036e+01 125.564 -1.00069e+00 1.39960e+00  0.00000e+00 0.00000e+00 9.85039e+00 305.564 1.06854e+02 305.564 0.6461 
1 1 1 1  23 2  o 5  3.56391e+01 1.70092e+01 3.89798e+01 285.823 9.76407e-02  -3.44531e-01 0.00000e+00 0.00000e+00 2.75800e+01 105.823 6.65598e+01 105.823 0.1762 
1 1 1 1  23 3  o 14 1.28528e+02 2.09938e+01 7.60039e+01 288.056 7.49591e-01  -2.29931e+00 0.00000e+00 0.00000e+00 1.00531e+02 288.056 2.45266e+01 288.056 0.7558 
1 1 1 1  23 5  o 9  8.97808e+01 3.63689e+01 1.01692e+02 52.514  1.19833e+00  1.56247e+00  0.00000e+00 0.00000e+00 1.17700e+01 52.514  8.99223e+01 232.514 0.6926 
1 1 1 1  23 6  o 4  1.35653e+02 4.26335e+01 1.50522e+02 318.750 2.44748e+00  -2.14642e+00 0.00000e+00 0.00000e+00 5.47939e+01 318.750 9.57277e+01 138.750 0.8272 
1 1 1 1  23 7  o 16 3.16117e+02 3.33092e+01 2.38900e+02 141.356 -1.03554e+01 8.27974e+00  0.00000e+00 0.00000e+00 3.19055e+02 141.356 8.01556e+01 141.356 0.9615 
1 1 1 1  23 8  o 4  8.61250e+01 3.76720e+01 7.69664e+01 188.960 -1.17032e+00 -1.84521e-01 0.00000e+00 0.00000e+00 3.65779e+00 188.960 7.33086e+01 8.960   0.5080 
1 1 1 1  23 10 o 6  8.92109e+01 4.04537e+01 1.02042e+02 205.086 -1.52838e+00 -7.15479e-01 0.00000e+00 0.00000e+00 3.98836e+00 205.086 9.80539e+01 25.086  0.6392 
1 1 1 1  23 11 o 2  1.90940e+02 5.06909e+01 1.35537e+02 155.913 -3.85216e+00 1.72211e+00  0.00000e+00 0.00000e+00 1.75509e+02 155.913 3.99717e+01 155.913 0.8715 
1 1 1 1  23 12 o 10 1.78051e+02 1.98454e+01 1.73436e+02 39.469  5.79425e+00  4.77122e+00  0.00000e+00 0.00000e+00 1.38159e+02 39.469  3.52770e+01 219.469 0.9308 
1 1 1 1  23 13 o 2  1.73702e+01 8.32759e+00 2.64332e+01 250.066 -5.72997e-02 -1.57997e-01 0.00000e+00 0.00000e+00 2.36811e+01 70.066  5.01143e+01 70.066  0.0837 
1 1 1 1  23 14 o 5  8.20812e+01 2.07014e+01 7.16650e+01 187.578 -2.05070e+00 -2.72805e-01 0.00000e+00 0.00000e+00 3.91579e+01 187.578 3.25071e+01 7.578   0.7087 
1 1 1 1  23 15 f 0  5.29577e+01 2.08160e+01 2.01026e+01 98.434  -6.14225e-02 4.14276e-01  0.00000e+00 0.00000e+00 7.24452e-01 98.434  1.93782e+01 278.434 0.2049 
1 1 1 1  23 16 o 1  9.30389e+01 2.80953e+01 8.14576e+01 60.602  1.32961e+00  2.35988e+00  0.00000e+00 0.00000e+00 5.99593e+01 60.602  2.14984e+01 240.602 0.7859 
1 1 1 1  23 17 o 10 5.15254e+01 2.18735e+01 6.22153e+01 19.376  1.50871e+00  5.30588e-01  0.00000e+00 0.00000e+00 5.85936e-02 19.376  6.21567e+01 199.376 0.6197 
1 1 1 1  23 18 o 4  7.88415e+01 2.59580e+01 8.11386e+01 323.303 2.40760e+00  -1.79437e+00 0.00000e+00 0.00000e+00 4.45371e+01 323.303 3.66015e+01 143.303 0.8102 
1 1 1 1  23 19 o 3  6.90887e+01 2.62319e+01 8.86952e+01 255.351 -6.94967e-01 -2.65862e+00 0.00000e+00 0.00000e+00 1.96250e+01 255.351 6.90702e+01 75.351  0.7895 
1 1 1 1  23 20 o 18 7.30453e+01 3.38736e+01 1.73265e+01 146.234 -4.46791e-01 2.98721e-01  0.00000e+00 0.00000e+00 2.06848e+01 146.234 3.35832e+00 146.234 0.2595 
1 1 1 1  23 21 o 8  7.80594e+01 2.86639e+01 2.63630e+01 53.729  6.15361e-01  8.38615e-01  0.00000e+00 0.00000e+00 4.64694e+01 53.729  2.01064e+01 53.729  0.4604 
1 1 1 1  23 22 o 8  6.45556e+01 2.57761e+01 4.04188e+01 317.144 1.24692e+00  -1.15693e+00 0.00000e+00 0.00000e+00 4.44845e+01 317.144 4.06573e+00 317.144 0.6420 
1 1 1 1  23 23 o 19 7.67877e+01 2.80906e+01 2.94289e+01 73.372  4.17371e-01  1.39755e+00  0.00000e+00 0.00000e+00 6.37553e+01 73.372  3.43264e+01 73.372  0.5857 
1 1 1 1  23 24 o 19 5.26606e+01 2.41471e+01 3.31384e+01 190.632 -1.43651e+00 -2.69671e-01 0.00000e+00 0.00000e+00 3.16148e+01 190.632 1.52366e+00 10.632  0.5865 
1 1 1 1  23 26 o 10 7.66415e+01 3.08783e+01 2.56850e+01 315.867 1.01528e+00  -9.84993e-01 0.00000e+00 0.00000e+00 6.89516e+01 315.867 4.32665e+01 315.867 0.5743 
1 1 1 1  23 27 o 12 5.58289e+01 2.62102e+01 1.14249e+00 106.668 -1.68627e-02 5.63217e-02  0.00000e+00 0.00000e+00 2.43209e+00 106.668 1.28960e+00 106.668 0.0294 
1 1 1 1  23 28 o 11 5.28977e+01 2.54160e+01 1.18901e+01 115.318 -2.88432e-01 6.09689e-01  0.00000e+00 0.00000e+00 2.54411e+01 115.318 1.35510e+01 115.318 0.3194 
1 1 1 1  23 29 o 19 5.56477e+01 2.68317e+01 5.66045e+01 292.278 1.17806e+00  -2.87556e+00 0.00000e+00 0.00000e+00 4.53805e+01 292.278 1.12240e+01 112.278 0.8176 
1 1 1 1  23 30 o 9  6.67406e+01 3.09181e+01 3.32254e+00 205.142 -1.64622e-01 -7.72619e-02 0.00000e+00 0.00000e+00 1.04268e+01 205.142 7.10423e+00 205.142 0.0906 
1 1 1 1  23 31 o 19 4.92980e+01 2.45772e+01 2.68820e+01 115.079 -6.89967e-01 1.47434e+00  0.00000e+00 0.00000e+00 4.44359e+01 115.079 1.75539e+01 115.079 0.6262 
1 1 1 1  24 0  o 17 5.42261e+01 3.30584e+01 1.56713e+02 90.000  5.53395e-17  9.03763e-01  0.00000e+00 0.00000e+00 8.43159e+01 270.000 2.41028e+02 270.000 0.7181 
1 1 1 1  24 1  o 7  2.85384e+02 1.80288e+01 3.05719e+02 90.369  -1.24880e-01 1.93866e+01  0.00000e+00 0.00000e+00 2.11108e+02 90.369  9.46118e+01 270.369 0.9739 
1 1 1 1  24 2  o 19 5.53212e+01 2.40163e+01 1.56930e+02 232.376 -1.11608e+00 -1.44803e+00 0.00000e+00 0.00000e+00 8.82140e+01 52.376  2.45144e+02 52.376  0.6675 
1 1 1 1  24 3  o 5  5.03477e+01 2.10072e+01 6.02412e+01 243.323 -2.93085e-01 -5.83327e-01 0.00000e+00 0.00000e+00 3.11423e+01 63.323  9.13834e+01 63.323  0.3102 
1 1 1 1  24 4  o 2  1.60989e+02 4.25033e+01 2.48851e+02 25.294  7.09675e+00  3.35369e+00  0.00000e+00 0.00000e+00 3.18070e+01 25.294  2.17044e+02 205.294 0.9339 
1 1 1 1  24 5  o 6  1.25794e+02 4.26527e+01 3.74989e+01 252.058 -2.82026e-01 -8.71010e-01 0.00000e+00 0.00000e+00 6.03251e+01 252.058 2.28262e+01 252.058 0.4157 
1 1 1 1  24 6  o 4  3.52678e+01 1.69568e+01 8.09443e+01 211.164 -6.01597e-01 -3.63829e-01 0.00000e+00 0.00000e+00 5.90133e+01 31.164  1.39958e+02 31.164  0.3315 
1 1 1 1  24 7  o 8  3.81553e+02 3.42711e+01 3.29656e+02 114.890 -1.07024e+01 2.30666e+01  0.00000e+00 0.00000e+00 3.74255e+02 114.890 4.45994e+01 114.890 0.9801 
1 1 1 1  24 8  o 5  1.15053e+02 4.48434e+01 1.38597e+02 149.770 -2.46968e+00 1.43909e+00  0.00000e+00 0.00000e+00 3.50774e+01 149.770 1.03519e+02 329.770 0.7989 
1 1 1 1  24 9  o 2  8.56785e+01 3.96978e+01 1.90578e+02 306.648 1.88660e+00  -2.53591e+00 0.00000e+00 0.00000e+00 5.70716e+01 126.648 2.47649e+02 126.648 0.8212 
1 1 1 1  24 10 o 1  2.70733e+02 4.36105e+01 2.52365e+02 288.119 4.35639e+00  -1.33131e+01 0.00000e+00 0.00000e+00 2.45037e+02 288.119 7.32777e+00 108.119 0.9636 
1 1 1 1  24 11 o 6  7.41009e+01 3.50733e+01 3.53247e+01 16.482  6.55469e-01  1.93933e-01  0.00000e+00 0.00000e+00 1.05878e+01 16.482  2.47368e+01 196.482 0.3233 
1 1 1 1  24 13 o 16 4.78605e+01 2.07899e+01 7.71111e+01 275.182 1.32361e-01  -1.45955e+00 0.00000e+00 0.00000e+00 2.25602e+01 95.182  9.96714e+01 95.182  0.5875 
1 1 1 1  24 14 o 10 3.56940e+01 1.48353e+01 2.64525e+01 17.808  4.05385e-01  1.30217e-01  0.00000e+00 0.00000e+00 1.19356e+01 197.808 3.83881e+01 197.808 0.2082 
1 1 1 1  24 15 o 13 4.87493e+01 1.89851e+01 2.10933e+01 178.078 -4.44748e-01 1.49209e-02  0.00000e+00 0.00000e+00 2.62097e-01 358.078 2.13554e+01 358.078 0.2172 
1 1 1 1  24 16 o 13 1.23716e+02 1.95937e+01 1.35512e+02 304.418 5.28158e+00  -7.70825e+00 0.00000e+00 0.00000e+00 9.63040e+01 304.418 3.92081e+01 124.418 0.9449 
1 1 1 1  24 17 o 13 6.81353e+01 2.44505e+01 4.76753e+01 338.109 1.45799e+00  -5.85829e-01 0.00000e+00 0.00000e+00 3.58816e+01 338.109 1.17937e+01 158.109 0.6133 
1 1 1 1  24 18 o 11 5.26901e+01 2.24955e+01 9.06943e+01 170.444 -2.74680e+00 4.62434e-01  0.00000e+00 0.00000e+00 6.42353e+00 350.444 9.71178e+01 350.444 0.7928 
1 1 1 1  24 19 o 17 5.22930e+01 2.29045e+01 2.79894e+01 108.582 -2.95377e-01 8.78590e-01  0.00000e+00 0.00000e+00 1.67232e+01 108.582 1.12662e+01 288.582 0.4199 
1 1 1 1  24 20 o 10 7.83577e+01 3.08353e+01 7.45104e+01 122.184 -1.46764e+00 2.33198e+00  0.00000e+00 0.00000e+00 5.28113e+01 122.184 2.16991e+01 302.184 0.7901 
1 1 1 1  24 21 o 6  6.81905e+01 2.58855e+01 9.56357e+00 14.912  4.07927e-01  1.08632e-01  0.00000e+00 0.00000e+00 1.96957e+01 14.912  1.01321e+01 14.912  0.2065 
1 1 1 1  24 22 o 3  8.37932e+01 3.84819e+01 1.00846e+02 333.433 3.31189e+00  -1.65609e+00 0.00000e+00 0.00000e+00 4.89409e+01 333.433 5.19054e+01 153.433 0.8510 
1 1 1 1  24 23 o 19 5.25798e+01 2.36125e+01 4.73453e+01 210.599 -1.92577e+00 -1.13884e+00 0.00000e+00 0.00000e+00 3.45483e+01 210.599 1.27970e+01 30.599  0.7331 
1 1 1 1  24 24 o 5  6.84144e+01 2.77713e+01 3.19451e+01 270.374 1.14950e-02  -1.76105e+00 0.00000e+00 0.00000e+00 6.42970e+01 270.374 3.23519e+01 270.374 0.6544 
1 1 1 1  24 25 o 14 4.76246e+01 2.27487e+01 3.11461e+01 70.945  5.22950e-01  1.51401e+00  0.00000e+00 0.00000e+00 3.31516e+01 70.945  2.00547e+00 70.945  0.6203 
1 1 1 1  24 26 o 12 5.90925e+01 2.65968e+01 2.79400e+01 93.043  -7.87914e-02 1.48194e+00  0.00000e+00 0.00000e+00 4.92065e+01 93.043  2.12666e+01 93.043  0.5922 
1 1 1 1  24 27 o 13 4.40039e+01 2.17873e+01 5.41599e+00 156.071 -2.91756e-01 1.29468e-01  0.00000e+00 0.00000e+00 1.00789e+01 156.071 4.66293e+00 156.071 0.1576 
1 1 1 1  24 28 f 0  5.73928e+01 2.71446e+01 5.92730e+00 211.387 -2.79525e-01 -1.70538e-01 0.00000e+00 0.00000e+00 1.50803e+01 211.387 9.15297e+00 211.387 0.1616 
1 1 1 1  24 29 o 13 5.38751e+01 2.61552e+01 3.15779e+00 24.875  1.68413e-01  7.80839e-02  0.00000e+00 0.00000e+00 8.28591e+00 24.875  5.12811e+00 24.875  0.0924 
1 1 1 1  24 30 o 10 5.43288e+01 2.64931e+01 3.33543e+01 210.527 -1.67209e+00 -9.86005e-01 0.00000e+00 0.00000e+00 5.38250e+01 210.527 2.04706e+01 210.527 0.6879 
1 1 1 1  25 0  o 15 4.18919e+01 2.80391e+01 8.16523e+01 90.000  -3.75321e-08 4.29317e-01  0.00000e+00 0.00000e+00 4.92950e+01 270.000 1.30947e+02 270.000 0.4048 
1 1 1 1  25 1  o 1  4.99855e+01 2.31476e+01 1.09020e+02 319.638 1.00695e+00  -8.55836e-01 0.00000e+00 0.00000e+00 5.66554e+01 139.638 1.65675e+02 139.638 0.5488 
1 1 1 1  25 2  o 1  4.81641e+01 2.13612e+01 6.67066e+01 217.603 -6.27144e-01 -4.83023e-01 0.00000e+00 0.00000e+00 3.28742e+01 37.603  9.95808e+01 37.603  0.3677 
1 1 1 1  25 3  o 9  3.29573e+01 1.59615e+01 7.13555e+01 181.679 -6.05174e-01 -1.77416e-02 0.00000e+00 0.00000e+00 5.30974e+01 1.679   1.24453e+02 1.679   0.2896 
1 1 1 1  25 4  f 0  1.10789e+02 4.19539e+01 1.47809e+02 359.487 3.05984e+00  -2.73750e-02 0.00000e+00 0.00000e+00 2.50534e+01 359.487 1.22756e+02 179.487 0.8143 
1 1 1 1  25 5  o 12 8.47853e+01 3.78738e+01 1.58985e+02 308.618 1.68046e+00  -2.10369e+00 0.00000e+00 0.00000e+00 3.12659e+01 128.618 1.90251e+02 128.618 0.7844 
1 1 1 1  25 6  o 10 7.24074e+01 2.76670e+01 2.00946e+02 127.148 -1.99531e+00 2.63364e+00  0.00000e+00 0.00000e+00 8.51876e+01 307.148 2.86134e+02 307.148 0.8302 
1 1 1 1  25 7  o 18 9.31339e+01 3.99134e+01 3.61152e+01 141.131 -5.71509e-01 4.60645e-01  0.00000e+00 0.00000e+00 2.58443e+01 141.131 1.02710e+01 321.131 0.3443 
1 1 1 1  25 8  o 4  1.21200e+02 4.62134e+01 1.76740e+02 287.980 1.41025e+00  -4.34539e+00 0.00000e+00 0.00000e+00 3.06494e+01 287.980 1.46091e+02 107.980 0.8823 
1 1 1 1  25 9  o 17 1.02484e+02 4.41734e+01 1.54710e+02 136.993 -2.71497e+00 2.53238e+00  0.00000e+00 0.00000e+00 1.52557e+01 136.993 1.39454e+02 316.993 0.8515 
1 1 1 1  25 10 o 10 1.04983e+02 4.34782e+01 3.64621e+01 105.975 -2.69930e-01 9.42923e-01  0.00000e+00 0.00000e+00 5.38468e+01 105.975 1.73847e+01 105.975 0.4395 
1 1 1 1  25 11 o 7  1.25734e+02 4.72568e+01 1.26484e+02 33.430  2.98367e+00  1.96960e+00  0.00000e+00 0.00000e+00 8.25339e+01 33.430  4.39501e+01 213.430 0.8449 
1 1 1 1  25 12 o 4  9.94353e+01 4.33442e+01 1.92776e+02 195.858 -4.79615e+00 -1.36241e+00 0.00000e+00 0.00000e+00 1.70459e+01 15.858  2.09821e+02 15.858  0.8931 
1 1 1 1  25 14 o 18 5.85724e+01 2.38677e+01 1.20101e+02 42.100  2.65699e+00  2.40077e+00  0.00000e+00 0.00000e+00 2.08383e+01 222.100 1.40939e+02 222.100 0.8452 
1 1 1 1  25 15 o 7  5.96216e+01 1.95687e+01 1.99854e+01 222.562 -4.79139e-01 -4.40002e-01 0.00000e+00 0.00000e+00 1.72470e+01 222.562 2.73846e+00 42.562  0.3092 
1 1 1 1  25 16 o 7  9.45671e+01 2.16683e+01 7.89843e+01 335.736 4.10169e+00  -1.84892e+00 0.00000e+00 0.00000e+00 9.04754e+01 335.736 1.14911e+01 335.736 0.8803 
1 1 1 1  25 17 o 4  5.58783e+01 2.16417e+01 2.80467e+01 28.028  8.34933e-01  4.44456e-01  0.00000e+00 0.00000e+00 2.09146e+01 28.028  7.13210e+00 208.027 0.4269 
1 1 1 1  25 18 o 4  5.68713e+01 2.27245e+01 5.44595e+01 241.449 -9.69816e-01 -1.78241e+00 0.00000e+00 0.00000e+00 2.82745e+01 241.449 2.61850e+01 61.449  0.7025 
1 1 1 1  25 19 o 7  7.02457e+01 2.48904e+01 7.05493e+01 40.230  2.20721e+00  1.86723e+00  0.00000e+00 0.00000e+00 4.71485e+01 40.230  2.34008e+01 220.230 0.8016 
1 1 1 1  25 20 o 17 4.73582e+01 2.09895e+01 2.27871e+01 117.478 -4.06315e-01 7.81241e-01  0.00000e+00 0.00000e+00 1.74480e+01 117.478 5.33913e+00 297.478 0.4025 
1 1 1 1  25 21 o 3  6.29110e+01 3.10061e+01 6.42019e+01 305.250 1.38404e+00  -1.95835e+00 0.00000e+00 0.00000e+00 3.68926e+01 305.250 2.73093e+01 125.250 0.7534 
1 1 1 1  25 22 o 11 6.33120e+01 2.58734e+01 4.04830e+01 76.980  4.66205e-01  2.01613e+00  0.00000e+00 0.00000e+00 5.62768e+01 76.980  1.57938e+01 76.980  0.7088 
1 1 1 1  25 23 o 2  5.71744e+01 2.52315e+01 4.47099e+01 174.926 -2.40695e+00 2.13721e-01  0.00000e+00 0.00000e+00 4.94962e+01 174.926 4.78631e+00 174.926 0.7556 
1 1 1 1  25 24 o 14 5.34828e+01 2.43697e+01 3.89336e+01 333.326 1.83340e+00  -9.21074e-01 0.00000e+00 0.00000e+00 4.43992e+01 333.326 5.46556e+00 333.326 0.7061 
1 1 1 1  25 25 o 13 4.63915e+01 2.23154e+01 2.29547e+01 310.596 8.02122e-01  -9.35975e-01 0.00000e+00 0.00000e+00 3.12284e+01 310.596 8.27375e+00 310.596 0.5228 
1 1 1 1  25 26 o 17 5.36056e+01 2.48704e+01 6.94291e+00 123.348 -2.23865e-01 3.40181e-01  0.00000e+00 0.00000e+00 1.72597e+01 123.348 1.03168e+01 123.348 0.1995 
1 1 1 1  25 27 o 19 4.06035e+01 2.02216e+01 8.45020e+00 141.292 -3.99110e-01 3.19835e-01  0.00000e+00 0.00000e+00 1.46176e+01 141.292 6.16744e+00 141.292 0.2477 
1 1 1 1  25 28 o 5  5.61712e+01 2.65782e+01 2.50868e+01 305.902 8.69707e-01  -1.20135e+00 0.00000e+00 0.00000e+00 5.22354e+01 305.902 2.71486e+01 305.902 0.5919 
1 1 1 1  25 29 o 9  5.20098e+01 2.54157e+01 1.74658e+01 106.574 -2.96007e-01 9.94610e-01  0.00000e+00 0.00000e+00 3.89269e+01 106.574 2.14611e+01 106.574 0.4596 
1 1 1 1  26 0  o 11 7.07251e+01 3.92592e+01 1.62881e+01 90.000  -1.51247e-08 1.73006e-01  0.00000e+00 0.00000e+00 7.46916e+00 90.000  8.81898e+00 270.000 0.1713 
1 1 1 1  26 1  o 3  6.84494e+01 2.97630e+01 1.11273e+02 282.007 4.59977e-01  -2.16269e+00 0.00000e+00 0.00000e+00 1.33227e+01 102.007 1.24596e+02 102.007 0.7296 
1 1 1 1  26 2  o 8  3.89881e+01 1.88231e+01 9.45308e+01 283.511 2.93823e-01  -1.22283e+00 0.00000e+00 0.00000e+00 5.39489e+01 103.511 1.48480e+02 103.511 0.5303 
1 1 1 1  26 3  o 11 4.22634e+01 1.98760e+01 6.56529e+01 68.577  3.39816e-01  8.66089e-01  0.00000e+00 0.00000e+00 3.06684e+01 248.577 9.63212e+01 248.577 0.4212 
1 1 1 1  26 4  o 7  8.85305e+01 3.80823e+01 1.04505e+02 196.791 -2.19372e+00 -6.61936e-01 0.00000e+00 0.00000e+00 2.45279e+01 196.791 7.99773e+01 16.791  0.7403 
1 1 1 1  26 5  o 9  5.28609e+01 2.30541e+01 8.79327e+01 161.689 -1.53703e+00 5.08656e-01  0.00000e+00 0.00000e+00 2.28202e+01 341.689 1.10753e+02 341.689 0.6242 
1 1 1 1  26 6  o 12 6.04686e+01 2.60954e+01 1.41941e+02 134.840 -1.98942e+00 2.00058e+00  0.00000e+00 0.00000e+00 4.67106e+01 314.840 1.88651e+02 314.840 0.7959 
1 1 1 1  26 7  o 13 7.49419e+01 3.47464e+01 9.14700e+01 296.835 9.55339e-01  -1.88836e+00 0.00000e+00 0.00000e+00 1.50550e+01 296.835 7.64150e+01 116.835 0.7160 
1 1 1 1  26 8  o 1  1.12853e+02 4.52886e+01 1.39207e+02 338.832 3.43044e+00  -1.32834e+00 0.00000e+00 0.00000e+00 5.19388e+01 338.832 8.72679e+01 158.832 0.8499 
1 1 1 1  26 9  o 8  1.21421e+02 4.49392e+01 7.63087e+01 120.934 -1.19797e+00 1.99897e+00  0.00000e+00 0.00000e+00 1.04791e+02 120.934 2.84820e+01 120.934 0.7452 
1 1 1 1  26 10 o 11 6.41747e+01 3.04857e+01 7.62284e+01 354.573 1.72085e+00  -1.63496e-01 0.00000e+00 0.00000e+00 7.37184e+00 354.573 6.88565e+01 174.573 0.6478 
1 1 1 1  26 11 o 1  8.46553e+01 3.65859e+01 1.40839e+02 87.860  1.56879e-01  4.19744e+00  0.00000e+00 0.00000e+00 8.19767e+00 87.860  1.32641e+02 267.860 0.8708 
1 1 1 1  26 12 o 13 7.00773e+01 3.23235e+01 4.75821e+01 237.984 -7.23030e-01 -1.15635e+00 0.00000e+00 0.00000e+00 3.23049e+01 237.984 1.52772e+01 57.984  0.5606 
1 1 1 1  26 14 o 15 6.45971e+01 3.08126e+01 8.28788e+01 214.080 -2.06739e+00 -1.39866e+00 0.00000e+00 0.00000e+00 1.88769e+01 214.080 6.40019e+01 34.080  0.7646 
1 1 1 1  26 15 o 13 6.07973e+01 2.49136e+01 9.81040e+01 258.788 -6.43502e-01 -3.24642e+00 0.00000e+00 0.00000e+00 6.68880e+00 258.788 9.14152e+01 78.788  0.8305 
1 1 1 1  26 16 o 11 6.03712e+01 1.98445e+01 5.57704e+01 350.315 2.39437e+00  -4.08646e-01 0.00000e+00 0.00000e+00 3.98287e+01 350.315 1.59417e+01 170.315 0.7570 
1 1 1 1  26 17 o 6  8.69757e+01 2.23469e+01 8.41955e+01 158.928 -4.15866e+00 1.60234e+00  0.00000e+00 0.00000e+00 7.70635e+01 158.928 7.13203e+00 338.928 0.8790 
1 1 1 1  26 18 o 18 5.80669e+01 2.21862e+01 1.05186e+01 23.995  4.12935e-01  1.83807e-01  0.00000e+00 0.00000e+00 1.67160e+01 23.995  6.19748e+00 23.995  0.2204 
1 1 1 1  26 19 o 7  6.09385e+01 2.36427e+01 5.67531e+01 15.929  2.54447e+00  7.26192e-01  0.00000e+00 0.00000e+00 4.53371e+01 15.929  1.14160e+01 195.929 0.7800 
1 1 1 1  26 20 f 0  5.27146e+01 2.23865e+01 1.78730e+01 242.204 -3.97926e-01 -7.54871e-01 0.00000e+00 0.00000e+00 2.69509e+01 242.204 9.07789e+00 242.204 0.3920 
1 1 1 1  26 21 o 7  7.01624e+01 3.02328e+01 3.21755e+01 340.678 1.44130e+00  -5.05353e-01 0.00000e+00 0.00000e+00 6.05183e+01 340.678 2.83427e+01 340.678 0.6028 
1 1 1 1  26 22 o 18 6.53357e+01 2.63221e+01 3.50687e+01 193.271 -1.97560e+00 -4.65968e-01 0.00000e+00 0.00000e+00 6.66350e+01 193.271 3.15663e+01 193.271 0.7026 
1 1 1 1  26 23 o 10 4.95577e+01 2.28852e+01 2.32072e+01 248.444 -4.58710e-01 -1.16118e+00 0.00000e+00 0.00000e+00 3.53759e+01 248.444 1.21686e+01 248.444 0.5275 
1 1 1 1  26 24 o 12 5.34659e+01 2.48619e+01 2.28992e+01 57.397  6.55954e-01  1.02555e+00  0.00000e+00 0.00000e+00 3.99164e+01 57.397  1.70172e+01 57.397  0.5181 
1 1 1 1  26 25 o 17 4.42872e+01 2.15955e+01 2.43202e+01 151.177 -1.24749e+00 6.86458e-01  0.00000e+00 0.00000e+00 3.43175e+01 151.177 9.99734e+00 151.177 0.5767 
1 1 1 1  26 26 o 11 4.29497e+01 2.10936e+01 2.68626e+01 264.571 -1.52217e-01 -1.60161e+00 0.00000e+00 0.00000e+00 3.52506e+01 264.571 8.38796e+00 264.571 0.6219 
1 1 1 1  26 27 o 14 5.08849e+01 2.42873e+01 2.03161e+01 332.169 1.11165e+00  -5.86869e-01 0.00000e+00 0.00000e+00 4.32535e+01 332.169 2.29374e+01 332.169 0.5301 
1 1 1 1  26 28 o 10 5.55706e+01 2.62470e+01 8.59974e+00 93.142  -2.80072e-02 5.10255e-01  0.00000e+00 0.00000e+00 2.42687e+01 93.142  1.56690e+01 93.142  0.2475 
1 1 1 1  27 0  o 16 4.06096e+01 2.83804e+01 8.93953e+01 90.000  4.27577e-17  6.98286e-01  0.00000e+00 0.00000e+00 3.99776e+01 270.000 1.29373e+02 270.000 0.6033 
1 1 1 1  27 1  o 17 6.23490e+01 2.87084e+01 2.87002e+01 233.787 -3.49311e-01 -4.77046e-01 0.00000e+00 0.00000e+00 6.95398e+00 233.787 2.17462e+01 53.787  0.2834 
1 1 1 1  27 2  o 3  5.13615e+01 2.39970e+01 1.34611e+02 255.911 -6.05043e-01 -2.41078e+00 0.00000e+00 0.00000e+00 5.54386e+01 75.911  1.90050e+02 75.911  0.7634 
1 1 1 1  27 3  o 14 5.05886e+01 2.32082e+01 1.57665e+01 347.170 2.82450e-01  -6.43245e-02 0.00000e+00 0.00000e+00 1.10589e+00 167.170 1.68723e+01 167.170 0.1433 
1 1 1 1  27 4  o 11 7.95740e+01 2.65597e+01 9.09915e+01 61.744  1.29921e+00  2.41730e+00  0.00000e+00 0.00000e+00 3.61888e+01 61.744  5.48026e+01 241.744 0.7892 
1 1 1 1  27 5  o 8  4.55326e+01 2.14870e+01 1.28707e+02 95.492  -2.33099e-01 2.42459e+00  0.00000e+00 0.00000e+00 5.86642e+01 275.492 1.87372e+02 275.492 0.7578 
1 1 1 1  27 6  f 0  4.14282e+01 1.56847e+01 5.16232e+01 117.455 -4.65645e-01 8.96215e-01  0.00000e+00 0.00000e+00 1.36830e+01 297.455 6.53062e+01 297.455 0.4499 
1 1 1 1  27 7  o 8  2.14132e+01 1.07602e+01 1.06393e+02 248.107 -4.24004e-01 -1.05514e+00 0.00000e+00 0.00000e+00 8.48389e+01 68.107  1.91232e+02 68.107  0.4929 
1 1 1 1  27 8  o 13 6.65793e+01 3.02771e+01 4.55636e+01 283.448 2.92699e-01  -1.22407e+00 0.00000e+00 0.00000e+00 2.68486e+01 283.448 1.87151e+01 103.448 0.5306 
1 1 1 1  27 9  o 6  7.42921e+01 3.27075e+01 4.31554e+01 329.700 1.12325e+00  -6.56371e-01 0.00000e+00 0.00000e+00 3.98884e+01 329.700 3.26700e+00 149.700 0.5429 
1 1 1 1  27 10 o 2  5.40776e+01 2.62771e+01 5.44636e+01 48.903  9.13962e-01  1.04779e+00  0.00000e+00 0.00000e+00 9.06035e+00 48.903  4.54032e+01 228.903 0.5678 
1 1 1 1  27 11 o 6  7.03301e+01 3.20137e+01 6.33953e+01 186.464 -1.75107e+00 -1.98407e-01 0.00000e+00 0.00000e+00 3.23486e+01 186.464 3.10468e+01 6.464   0.6546 
1 1 1 1  27 13 o 19 7.15335e+01 3.25890e+01 1.19551e+02 88.097  1.25423e-01  3.77431e+00  0.00000e+00 0.00000e+00 9.09176e+00 88.097  1.10459e+02 268.097 0.8543 
1 1 1 1  27 14 o 4  7.00324e+01 3.21730e+01 3.19127e+01 20.810  1.01450e+00  3.85565e-01  0.00000e+00 0.00000e+00 3.87065e+01 20.810  6.79379e+00 20.810  0.4758 
1 1 1 1  27 15 o 2  5.68525e+01 2.09386e+01 6.84635e+01 285.077 6.45518e-01  -2.39621e+00 0.00000e+00 0.00000e+00 2.41433e+01 285.077 4.43202e+01 105.077 0.7630 
1 1 1 1  27 16 o 4  5.26335e+01 2.13495e+01 7.67589e+01 127.792 -1.89796e+00 2.44754e+00  0.00000e+00 0.00000e+00 1.57570e+01 127.792 6.10018e+01 307.792 0.8169 
1 1 1 1  27 17 o 14 8.61399e+01 2.00446e+01 6.60547e+01 240.545 -2.47653e+00 -4.38529e+00 0.00000e+00 0.00000e+00 1.01068e+02 240.545 3.50130e+01 240.545 0.8942 
1 1 1 1  27 18 o 17 5.42051e+01 2.12909e+01 3.38061e+01 268.548 -4.07558e-02 -1.60746e+00 0.00000e+00 0.00000e+00 3.99591e+01 268.548 6.15307e+00 268.548 0.6217 
1 1 1 1  27 19 o 5  5.35955e+01 2.19211e+01 5.13237e+01 8.268   2.63218e+00  3.82475e-01  0.00000e+00 0.00000e+00 4.11949e+01 8.268   1.01288e+01 188.268 0.7813 
1 1 1 1  27 20 o 15 6.43261e+01 2.47767e+01 7.66896e+01 356.035 4.54887e+00  -3.15279e-01 0.00000e+00 0.00000e+00 4.99094e+01 356.035 2.67802e+01 176.035 0.8821 
1 1 1 1  27 21 o 14 5.49183e+01 2.35169e+01 6.44135e+01 82.455  4.65112e-01  3.51165e+00  0.00000e+00 0.00000e+00 3.99923e+01 82.455  2.44213e+01 262.455 0.8433 
1 1 1 1  27 23 o 12 4.92807e+01 2.28551e+01 4.09534e+01 297.361 1.08405e+00  -2.09483e+00 0.00000e+00 0.00000e+00 4.40946e+01 297.361 3.14129e+00 297.361 0.7487 
1 1 1 1  27 24 o 13 5.96460e+01 2.65010e+01 2.95942e+01 66.137  6.87837e-01  1.55488e+00  0.00000e+00 0.00000e+00 5.97058e+01 66.137  3.01116e+01 66.137  0.6419 
1 1 1 1  27 25 o 19 5.10206e+01 2.40800e+01 3.64606e+01 163.037 -2.10553e+00 6.42247e-01  0.00000e+00 0.00000e+00 5.12776e+01 163.037 1.48170e+01 163.037 0.7282 
1 1 1 1  27 26 o 14 4.10969e+01 2.04862e+01 1.80325e+01 4.998   1.17574e+00  1.02817e-01  0.00000e+00 0.00000e+00 3.17707e+01 4.998   1.37382e+01 4.998   0.5066 
1 1 1 1  27 27 o 5  4.47257e+01 2.19160e+01 5.48395e+00 80.287  5.97138e-02  3.48857e-01  0.00000e+00 0.00000e+00 1.34093e+01 80.287  7.92540e+00 80.287  0.1743 
1 1 1 1  28 0  o 5  4.90253e+01 3.28755e+01 2.61561e+01 270.000 -1.95144e-17 -3.18695e-01 0.00000e+00 0.00000e+00 5.24189e+00 270.000 2.09142e+01 90.000  0.3083 
1 1 1 1  28 1  o 10 5.08327e+01 2.40848e+01 7.06511e+01 104.789 -4.46258e-01 1.69038e+00  0.00000e+00 0.00000e+00 1.81180e+00 284.789 7.24629e+01 284.789 0.6518 
1 1 1 1  28 2  o 10 8.32631e+01 3.01245e+01 4.41953e+01 219.873 -1.17763e+00 -9.83709e-01 0.00000e+00 0.00000e+00 6.04649e+01 219.873 1.62696e+01 219.873 0.6045 
1 1 1 1  28 3  o 11 5.38668e+01 2.24659e+01 2.24386e+01 212.137 -5.15556e-01 -3.23869e-01 0.00000e+00 0.00000e+00 1.02106e+01 212.137 1.22280e+01 32.137  0.2911 
1 1 1 1  28 4  o 9  6.19819e+01 2.24865e+01 3.58847e+01 61.585  5.65737e-01  1.04564e+00  0.00000e+00 0.00000e+00 2.99539e+01 61.585  5.93083e+00 241.585 0.5093 
1 1 1 1  28 5  o 8  3.56282e+01 1.59878e+01 3.09754e+01 332.653 6.05432e-01  -3.13122e-01 0.00000e+00 0.00000e+00 6.96260e+00 152.653 3.79380e+01 152.653 0.3224 
1 1 1 1  28 6  o 6  3.61863e+01 1.73866e+01 4.72074e+01 275.713 9.99246e-02  -9.98859e-01 0.00000e+00 0.00000e+00 1.32453e+01 95.713  6.04527e+01 95.713  0.4478 
1 1 1 1  28 7  o 5  6.91149e+01 1.75578e+01 3.65049e+01 76.469  3.42993e-01  1.42528e+00  0.00000e+00 0.00000e+00 4.89025e+01 76.469  1.23976e+01 76.469  0.5876 
1 1 1 1  28 8  o 9  7.05106e+01 3.11839e+01 6.66238e+01 150.196 -1.64550e+00 9.42524e-01  0.00000e+00 0.00000e+00 3.45896e+01 150.196 3.20343e+01 330.196 0.6800 
1 1 1 1  28 9  o 5  6.35563e+01 2.91245e+01 4.57640e+01 27.464  1.26351e+00  6.56737e-01  0.00000e+00 0.00000e+00 3.19516e+01 27.464  1.38124e+01 207.464 0.5768 
1 1 1 1  28 10 o 2  6.20558e+01 2.87607e+01 8.30043e+01 62.646  1.17824e+00  2.27748e+00  0.00000e+00 0.00000e+00 1.90222e+01 62.646  6.39821e+01 242.646 0.7718 
1 1 1 1  28 11 o 7  6.03014e+01 2.82635e+01 3.78299e+01 210.008 -1.06860e+00 -6.17142e-01 0.00000e+00 0.00000e+00 2.97329e+01 210.008 8.09698e+00 30.008  0.5232 
1 1 1 1  28 13 o 6  6.79594e+01 3.16776e+01 7.50460e+01 242.804 -1.10521e+00 -2.15092e+00 0.00000e+00 0.00000e+00 3.62908e+01 242.804 3.87553e+01 62.804  0.7558 
1 1 1 1  28 14 o 18 8.20403e+01 3.59553e+01 4.43061e+01 333.621 1.46991e+00  -7.28989e-01 0.00000e+00 0.00000e+00 6.83227e+01 333.621 2.40165e+01 333.621 0.6291 
1 1 1 1  28 15 o 1  5.97625e+01 2.92271e+01 1.02278e+02 40.544  2.77517e+00  2.37390e+00  0.00000e+00 0.00000e+00 9.22294e+00 40.544  9.30549e+01 220.544 0.8487 
1 1 1 1  28 16 o 10 5.31515e+01 2.08664e+01 9.95768e+01 175.947 -4.73094e+00 3.35238e-01  0.00000e+00 0.00000e+00 4.88915e+00 175.947 9.46876e+01 355.947 0.8871 
1 1 1 1  28 17 f 0  7.16298e+01 1.99006e+01 3.99322e+01 178.847 -3.05156e+00 6.14182e-02  0.00000e+00 0.00000e+00 9.02997e+01 178.847 5.03675e+01 178.847 0.8138 
1 1 1 1  28 18 f 0  6.14843e+01 2.15759e+01 2.34342e+01 336.045 1.44014e+00  -6.39823e-01 0.00000e+00 0.00000e+00 6.17044e+01 336.045 3.82702e+01 336.045 0.6143 
1 1 1 1  28 19 f 0  5.16904e+01 2.12759e+01 4.50831e+01 269.003 -4.67721e-02 -2.68718e+00 0.00000e+00 0.00000e+00 4.71116e+01 269.003 2.02849e+00 269.003 0.7839 
1 1 1 1  28 20 o 4  4.30338e+01 1.96383e+01 3.78591e+01 295.695 8.94150e-01  -1.85834e+00 0.00000e+00 0.00000e+00 3.21190e+01 295.695 5.74016e+00 115.695 0.7077 
1 1 1 1  28 21 o 14 5.90433e+01 2.42701e+01 4.80093e+01 128.045 -1.78324e+00 2.27876e+00  0.00000e+00 0.00000e+00 6.18924e+01 128.045 1.38831e+01 128.045 0.8018 
1 1 1 1  28 22 o 11 5.50669e+01 2.62223e+01 1.82123e+01 186.192 -9.85054e-01 -1.06865e-01 0.00000e+00 0.00000e+00 3.90544e+01 186.192 2.08421e+01 186.192 0.4431 
1 1 1 1  28 23 o 11 4.33357e+01 2.07406e+01 2.01928e+01 327.980 1.01516e+00  -6.34822e-01 0.00000e+00 0.00000e+00 3.24669e+01 327.980 1.22741e+01 327.980 0.5119 
1 1 1 1  28 24 f 0  5.33457e+01 2.44187e+01 1.21812e+01 279.749 1.25750e-01  -7.31872e-01 0.00000e+00 0.00000e+00 3.23895e+01 279.749 2.02084e+01 279.749 0.3479 
1 1 1 1  28 25 o 5  4.35986e+01 2.12409e+01 2.50861e+01 275.613 1.58308e-01  -1.61085e+00 0.00000e+00 0.00000e+00 4.10834e+01 275.613 1.59974e+01 275.613 0.6241 
1 1 1 1  28 26 o 10 4.10414e+01 2.04374e+01 2.76290e+01 55.721  1.05159e+00  1.54279e+00  0.00000e+00 0.00000e+00 4.05790e+01 55.721  1.29500e+01 55.721  0.6747 
1 1 1 1  29 1  o 17 4.83309e+01 2.29522e+01 5.66141e+01 134.729 -9.63990e-01 9.73148e-01  0.00000e+00 0.00000e+00 1.58786e+00 134.729 5.50262e+01 314.729 0.5623 
1 1 1 1  29 2  o 9  7.23945e+01 2.54550e+01 6.11698e+01 50.012  1.56869e+00  1.87032e+00  0.00000e+00 0.00000e+00 5.65178e+01 50.012  4.65198e+00 230.012 0.7584 
1 1 1 1  29 3  o 15 5.13952e+01 2.19830e+01 2.06577e+01 304.838 3.69424e-01  -5.30774e-01 0.00000e+00 0.00000e+00 1.32638e+01 304.838 7.39397e+00 124.838 0.3075 
1 1 1 1  29 4  o 15 4.58253e+01 1.96645e+01 6.49324e+01 149.699 -1.66406e+00 9.72421e-01  0.00000e+00 0.00000e+00 2.60114e+00 149.699 6.23313e+01 329.699 0.6855 
1 1 1 1  29 5  o 19 3.87651e+01 1.83874e+01 8.36667e+01 172.532 -2.18738e+00 2.86720e-01  0.00000e+00 0.00000e+00 2.27830e+01 352.532 1.06450e+02 352.532 0.7289 
1 1 1 1  29 6  o 4  3.16167e+01 1.52561e+01 1.13128e+02 277.385 3.36858e-01  -2.59891e+00 0.00000e+00 0.00000e+00 6.00107e+01 97.385  1.73138e+02 97.385  0.7775 
1 1 1 1  29 7  o 14 4.11928e+01 1.84861e+01 2.70406e+01 25.477  7.46855e-01  3.55864e-01  0.00000e+00 0.00000e+00 7.06134e+00 25.477  1.99792e+01 205.477 0.3819 
1 1 1 1  29 8  o 9  6.70445e+01 3.01432e+01 4.27235e+01 42.602  1.09604e+00  1.00795e+00  0.00000e+00 0.00000e+00 4.38530e+01 42.602  1.12954e+00 42.602  0.5934 
1 1 1 1  29 9  o 6  6.18860e+01 2.86670e+01 2.83291e+01 344.551 9.17334e-01  -2.53512e-01 0.00000e+00 0.00000e+00 2.96955e+01 344.551 1.36643e+00 344.551 0.4290 
1 1 1 1  29 10 o 14 6.49090e+01 3.00834e+01 5.56436e+01 148.522 -1.49021e+00 9.12423e-01  0.00000e+00 0.00000e+00 3.72341e+01 148.522 1.84095e+01 328.522 0.6516 
1 1 1 1  29 11 f 0  5.83556e+01 2.78785e+01 2.82001e+01 274.748 8.26737e-02  -9.95352e-01 0.00000e+00 0.00000e+00 2.92509e+01 274.748 1.05080e+00 274.748 0.4460 
1 1 1 1  29 13 o 18 6.76064e+01 3.16837e+01 4.51664e+01 225.153 -1.19641e+00 -1.20280e+00 0.00000e+00 0.00000e+00 5.16806e+01 225.153 6.51412e+00 225.153 0.6411 
1 1 1 1  29 14 o 4  6.05386e+01 2.92776e+01 3.92178e+01 270.884 2.30187e-02  -1.49230e+00 0.00000e+00 0.00000e+00 4.17198e+01 270.884 2.50201e+00 270.884 0.5943 
1 1 1 1  29 15 o 9  6.11573e+01 3.00106e+01 7.54334e+01 154.864 -2.76795e+00 1.29873e+00  0.00000e+00 0.00000e+00 3.74064e+01 154.864 3.80271e+01 334.864 0.8141 
1 1 1 1  29 16 o 9  5.01994e+01 2.52863e+01 1.85937e+01 358.637 7.84793e-01  -1.86780e-02 0.00000e+00 0.00000e+00 2.32657e+01 358.637 4.67203e+00 358.637 0.3651 
1 1 1 1  29 17 o 17 2.65190e+01 1.24322e+01 1.16441e+01 14.163  5.70941e-01  1.44082e-01  0.00000e+00 0.00000e+00 5.60137e+00 14.163  6.04271e+00 194.163 0.2824 
1 1 1 1  29 18 o 15 6.01156e+01 2.04617e+01 4.77361e+01 22.692  3.20039e+00  1.33825e+00  0.00000e+00 0.00000e+00 6.95219e+01 22.692  2.17858e+01 22.692  0.8395 
1 1 1 1  29 19 o 5  3.82919e+01 1.73918e+01 2.31299e+01 332.580 1.18111e+00  -6.12743e-01 0.00000e+00 0.00000e+00 2.63882e+01 332.580 3.25827e+00 332.580 0.5514 
1 1 1 1  29 20 o 17 3.86032e+01 1.79124e+01 2.41858e+01 152.780 -1.32459e+00 6.81318e-01  0.00000e+00 0.00000e+00 3.00828e+01 152.780 5.89696e+00 152.780 0.5935 
1 1 1 1  29 21 o 2  6.66313e+01 2.47693e+01 3.90115e+01 164.974 -2.65109e+00 7.11628e-01  0.00000e+00 0.00000e+00 8.68335e+01 164.974 4.78220e+01 164.974 0.7892 
1 1 1 1  29 22 o 1  5.35766e+01 2.33919e+01 1.84702e+01 349.071 1.13810e+00  -2.19754e-01 0.00000e+00 0.00000e+00 4.63286e+01 349.071 2.78584e+01 349.071 0.4999 
1 1 1 1  29 24 o 13 5.57674e+01 2.50158e+01 2.51083e+01 197.773 -1.49503e+00 -4.79227e-01 0.00000e+00 0.00000e+00 5.95293e+01 197.773 3.44210e+01 197.773 0.6130 
1 1 1 1  29 25 o 9  3.88609e+01 1.92695e+01 2.45927e+01 337.628 1.58564e+00  -6.52642e-01 0.00000e+00 0.00000e+00 3.82315e+01 337.628 1.36388e+01 337.628 0.6449 
1 1 1 1  30 1  o 8  3.78709e+01 1.82407e+01 6.39708e+01 294.714 7.83927e-01  -1.70328e+00 0.00000e+00 0.00000e+00 7.37492e+00 114.714 7.13457e+01 114.714 0.6761 
1 1 1 1  30 2  o 8  6.42268e+01 2.50758e+01 3.37608e+01 159.473 -1.25244e+00 4.68953e-01  0.00000e+00 0.00000e+00 4.48408e+01 159.473 1.10800e+01 159.473 0.5533 
1 1 1 1  30 3  o 11 4.09773e+01 1.91279e+01 2.79238e+01 74.277  2.32481e-01  8.25824e-01  0.00000e+00 0.00000e+00 7.81399e+00 74.277  2.01098e+01 254.277 0.3938 
1 1 1 1  30 4  o 15 4.34449e+01 1.91172e+01 3.55523e+01 329.203 9.12405e-01  -5.43846e-01 0.00000e+00 0.00000e+00 9.55658e+00 329.203 2.59957e+01 149.203 0.4680 
1 1 1 1  30 5  o 1  5.16646e+01 2.01199e+01 2.87953e+01 207.164 -8.80020e-01 -4.51576e-01 0.00000e+00 0.00000e+00 2.20435e+01 207.164 6.75178e+00 27.164  0.4425 
1 1 1 1  30 6  o 13 3.28897e+01 1.58608e+01 7.39105e+01 110.450 -6.66711e-01 1.78797e+00  0.00000e+00 0.00000e+00 2.38852e+01 290.450 9.77957e+01 290.450 0.6821 
1 1 1 1  30 7  o 7  3.27686e+01 1.51734e+01 2.10778e+01 165.098 -5.30603e-01 1.41202e-01  0.00000e+00 0.00000e+00 1.67425e+00 345.098 2.27521e+01 345.098 0.2647 
1 1 1 1  30 8  o 6  6.60573e+01 3.02819e+01 6.37520e+01 349.493 2.28434e+00  -4.23647e-01 0.00000e+00 0.00000e+00 4.66623e+01 349.493 1.70898e+01 169.493 0.7443 
1 1 1 1  30 9  o 7  7.31137e+01 3.24329e+01 4.97496e+01 57.743  1.02347e+00  1.62168e+00  0.00000e+00 0.00000e+00 6.29993e+01 57.743  1.32497e+01 57.743  0.6838 
1 1 1 1  30 10 o 13 7.29573e+01 3.28004e+01 7.69962e+01 235.287 -1.69492e+00 -2.44656e+00 0.00000e+00 0.00000e+00 5.66264e+01 235.287 2.03698e+01 55.287  0.8082 
1 1 1 1  30 12 o 10 7.10103e+01 3.30980e+01 1.37114e+01 120.623 -2.77613e-01 4.68993e-01  0.00000e+00 0.00000e+00 2.90591e+01 120.623 1.53477e+01 120.623 0.2629 
1 1 1 1  30 13 o 13 5.74793e+01 2.82079e+01 3.57193e+01 148.358 -1.24732e+00 7.68616e-01  0.00000e+00 0.00000e+00 4.21344e+01 148.358 6.41517e+00 148.358 0.5874 
1 1 1 1  30 14 o 7  7.22541e+01 3.40232e+01 1.59895e+01 69.149  2.38592e-01  6.26423e-01  0.00000e+00 0.00000e+00 3.72950e+01 69.149  2.13056e+01 69.149  0.3176 
1 1 1 1  30 15 o 11 7.75100e+01 3.60397e+01 5.24250e+01 237.062 -1.18730e+00 -1.83266e+00 0.00000e+00 0.00000e+00 7.91313e+01 237.062 2.67063e+01 237.062 0.7257 
1 1 1 1  30 16 o 3  6.54154e+01 3.19083e+01 1.02256e+00 136.624 -3.16565e-02 2.99107e-02  0.00000e+00 0.00000e+00 2.33422e+00 136.624 1.31166e+00 136.624 0.0218 
1 1 1 1  30 17 o 16 5.40950e+01 2.72540e+01 4.82743e+01 11.518  2.15250e+00  4.38622e-01  0.00000e+00 0.00000e+00 4.52698e+01 11.518  3.00449e+00 191.518 0.7276 
1 1 1 1  30 18 f 0  4.71072e+01 1.80296e+01 2.72027e+01 218.894 -1.46860e+00 -1.18477e+00 0.00000e+00 0.00000e+00 4.94143e+01 218.894 2.22117e+01 218.894 0.6783 
1 1 1 1  30 19 o 9  5.36712e+01 2.02674e+01 2.59542e+01 165.783 -1.93617e+00 4.90535e-01  0.00000e+00 0.00000e+00 6.46296e+01 165.783 3.86755e+01 165.783 0.6973 
1 1 1 1  30 20 o 12 5.94524e+01 2.20641e+01 3.43639e+01 69.658  8.77354e-01  2.36646e+00  0.00000e+00 0.00000e+00 7.71745e+01 69.658  4.28106e+01 69.658  0.7676 
1 1 1 1  30 21 o 14 4.71282e+01 2.07510e+01 3.22131e+01 283.536 5.17832e-01  -2.15094e+00 0.00000e+00 0.00000e+00 5.27205e+01 283.536 2.05075e+01 283.536 0.7297 
1 1 1 1  30 22 o 15 3.65251e+01 1.76329e+01 2.37979e+01 290.434 5.93328e-01  -1.59252e+00 0.00000e+00 0.00000e+00 3.47177e+01 290.434 1.09197e+01 290.434 0.6417 
1 1 1 1  30 23 o 9  5.46678e+01 2.66931e+01 1.64400e+01 131.824 -5.95869e-01 6.65882e-01  0.00000e+00 0.00000e+00 3.97978e+01 131.824 2.33578e+01 131.824 0.4074 
1 1 1 1  30 24 o 10 4.39629e+01 2.14447e+01 7.30241e+00 359.599 4.73542e-01  -3.31771e-03 0.00000e+00 0.00000e+00 1.85762e+01 359.599 1.12738e+01 359.599 0.2304 
1 1 1 1  31 0  o 2  4.29194e+01 2.97508e+01 3.79107e+01 270.000 -3.89447e-17 -6.36015e-01 0.00000e+00 0.00000e+00 1.71680e+01 270.000 2.07427e+01 90.000  0.5622 
1 1 1 1  31 1  o 17 4.50988e+01 2.04439e+01 3.18245e+01 35.611  9.32297e-01  6.67723e-01  0.00000e+00 0.00000e+00 1.92483e+01 35.611  1.25762e+01 215.611 0.4960 
1 1 1 1  31 2  o 15 8.12979e+01 2.49917e+01 1.70879e+01 13.566  9.56816e-01  2.30878e-01  0.00000e+00 0.00000e+00 6.47972e+01 13.566  4.77093e+01 13.566  0.4408 
1 1 1 1  31 3  o 7  3.48817e+01 1.68045e+01 7.45380e+01 161.281 -2.40799e+00 8.15969e-01  0.00000e+00 0.00000e+00 1.31237e+01 341.281 8.76617e+01 341.281 0.7695 
1 1 1 1  31 4  f 0  4.48845e+01 1.93839e+01 7.36383e+01 207.839 -2.58039e+00 -1.36275e+00 0.00000e+00 0.00000e+00 9.04584e+00 207.839 6.45925e+01 27.839  0.8037 
1 1 1 1  31 5  o 10 5.47495e+01 2.11227e+01 6.54512e+01 317.016 2.24156e+00  -2.08909e+00 0.00000e+00 0.00000e+00 3.70021e+01 317.016 2.84491e+01 137.016 0.8146 
1 1 1 1  31 6  o 17 5.64661e+01 1.96889e+01 7.38939e+01 76.510  8.79230e-01  3.66501e+00  0.00000e+00 0.00000e+00 3.71896e+01 76.510  3.67043e+01 256.510 0.8540 
1 1 1 1  31 7  o 19 5.25778e+01 2.07053e+01 3.01356e+00 65.868  5.88126e-02  1.31282e-01  0.00000e+00 0.00000e+00 5.70397e+00 65.868  2.69041e+00 65.868  0.0717 
1 1 1 1  31 8  o 15 7.42764e+01 3.28080e+01 2.42989e+01 288.314 3.20453e-01  -9.68145e-01 0.00000e+00 0.00000e+00 5.38208e+01 288.314 2.95219e+01 288.314 0.4534 
1 1 1 1  31 9  o 9  6.67729e+01 3.13125e+01 5.52993e+01 175.439 -2.27881e+00 1.81776e-01  0.00000e+00 0.00000e+00 5.97571e+01 175.439 4.45777e+00 175.439 0.7396 
1 1 1 1  31 10 o 6  7.57144e+01 3.42991e+01 7.34544e+01 322.783 2.43451e+00  -1.84904e+00 0.00000e+00 0.00000e+00 7.08477e+01 322.783 2.60670e+00 142.783 0.8141 
1 1 1 1  31 12 o 4  5.56521e+01 2.75135e+01 4.22177e+01 99.017  -2.99025e-01 1.88426e+00  0.00000e+00 0.00000e+00 4.76326e+01 99.017  5.41492e+00 99.017  0.6820 
1 1 1 1  31 13 o 12 8.03653e+01 3.68927e+01 6.94683e+00 49.166  1.84818e-01  2.13860e-01  0.00000e+00 0.00000e+00 1.98422e+01 49.166  1.28953e+01 49.166  0.1399 
1 1 1 1  31 14 o 6  6.14271e+01 3.01481e+01 3.87639e+01 181.462 -1.67358e+00 -4.27058e-02 0.00000e+00 0.00000e+00 5.49833e+01 181.462 1.62194e+01 181.462 0.6363 
1 1 1 1  31 15 o 4  7.51755e+01 3.58918e+01 1.30329e+01 121.374 -2.74465e-01 4.50113e-01  0.00000e+00 0.00000e+00 3.32528e+01 121.374 2.02200e+01 121.374 0.2548 
1 1 1 1  31 16 o 5  6.47624e+01 3.18526e+01 3.66152e+01 325.753 1.32935e+00  -9.05039e-01 0.00000e+00 0.00000e+00 6.14328e+01 325.753 2.48177e+01 325.753 0.6218 
1 1 1 1  31 17 o 16 5.94722e+01 2.98180e+01 7.93740e+00 241.241 -1.76224e-01 -3.21093e-01 0.00000e+00 0.00000e+00 1.83660e+01 241.241 1.04286e+01 241.241 0.1801 
1 1 1 1  31 18 o 6  3.12042e+01 1.39824e+01 1.09438e+01 61.504  3.59539e-01  6.62307e-01  0.00000e+00 0.00000e+00 1.62919e+01 61.504  5.34806e+00 61.504  0.3524 
1 1 1 1  31 19 o 17 4.92327e+01 1.89828e+01 2.73908e+01 116.315 -9.92602e-01 2.00704e+00  0.00000e+00 0.00000e+00 6.28851e+01 116.315 3.54943e+01 116.315 0.7334 
1 1 1 1  31 20 o 6  3.63625e+01 1.66737e+01 1.96448e+01 157.868 -1.40856e+00 5.72871e-01  0.00000e+00 0.00000e+00 3.55532e+01 157.868 1.59084e+01 157.868 0.6012 
1 1 1 1  31 21 o 13 4.01732e+01 1.84490e+01 2.84519e+01 307.544 1.27087e+00  -1.65358e+00 0.00000e+00 0.00000e+00 4.44538e+01 307.544 1.60018e+01 307.544 0.7113 
1 1 1 1  31 22 o 14 3.87145e+01 1.83333e+01 8.66099e+00 56.074  3.58041e-01  5.32303e-01  0.00000e+00 0.00000e+00 2.18236e+01 56.074  1.31626e+01 56.074  0.3053 
1 1 1 1  32 0  o 3  3.68605e+01 2.49089e+01 5.86653e+00 90.000  7.50980e-18  1.22644e-01  0.00000e+00 0.00000e+00 4.75242e+00 90.000  1.11411e+00 270.000 0.1220 
1 1 1 1  32 1  o 14 4.52155e+01 2.17385e+01 4.68202e+01 235.053 -1.12954e+00 -1.61634e+00 0.00000e+00 0.00000e+00 2.71810e+01 235.053 1.96392e+01 55.053  0.6931 
1 1 1 1  32 2  o 8  5.82650e+01 2.33678e+01 2.59425e+01 311.066 8.54879e-01  -9.81134e-01 0.00000e+00 0.00000e+00 4.88274e+01 311.066 2.28849e+01 311.066 0.5430 
1 1 1 1  32 3  o 19 5.24586e+01 2.20058e+01 2.26049e+01 91.841  -3.66779e-02 1.14083e+00  0.00000e+00 0.00000e+00 3.87430e+01 91.841  1.61381e+01 91.841  0.4943 
1 1 1 1  32 4  o 2  3.85136e+01 1.76198e+01 3.57212e+01 139.151 -1.24569e+00 1.07713e+00  0.00000e+00 0.00000e+00 2.18245e+01 139.151 1.38967e+01 319.150 0.6304 
1 1 1 1  32 5  o 4  3.55509e+01 1.64029e+01 4.91684e+01 46.289  1.53103e+00  1.60149e+00  0.00000e+00 0.00000e+00 1.24999e+01 46.289  3.66685e+01 226.289 0.7302 
1 1 1 1  32 6  o 10 4.11082e+01 1.73599e+01 5.60746e+01 21.484  2.69436e+00  1.06044e+00  0.00000e+00 0.00000e+00 2.24604e+01 21.484  3.36141e+01 201.484 0.8020 
1 1 1 1  32 7  o 10 5.24607e+01 2.12895e+01 3.27286e+01 5.866   1.87793e+00  1.92935e-01  0.00000e+00 0.00000e+00 5.23400e+01 5.866   1.96114e+01 5.866   0.6785 
1 1 1 1  32 8  o 17 5.34078e+01 2.63126e+01 5.26319e+01 151.429 -2.05599e+00 1.11962e+00  0.00000e+00 0.00000e+00 4.30242e+01 151.429 9.60768e+00 331.429 0.7465 
1 1 1 1  32 9  o 15 5.62018e+01 2.75926e+01 4.47751e+01 209.431 -1.75482e+00 -9.90038e-01 0.00000e+00 0.00000e+00 5.00411e+01 209.431 5.26597e+00 209.431 0.7002 
1 1 1 1  32 10 o 12 6.68055e+01 3.19657e+01 1.80386e+01 162.503 -7.24642e-01 2.28434e-01  0.00000e+00 0.00000e+00 3.93587e+01 162.503 2.13202e+01 162.503 0.3549 
1 1 1 1  32 11 o 4  6.33983e+01 3.08269e+01 2.48464e+01 242.721 -4.86668e-01 -9.43760e-01 0.00000e+00 0.00000e+00 4.73480e+01 242.721 2.25016e+01 242.721 0.4679 
1 1 1 1  32 12 o 13 6.37888e+01 3.10145e+01 1.11989e+00 310.856 3.17010e-02  -3.66532e-02 0.00000e+00 0.00000e+00 2.66267e+00 310.856 1.54278e+00 310.856 0.0242 
1 1 1 1  32 13 o 9  6.12164e+01 3.01741e+01 1.33262e+01 327.271 4.89807e-01  -3.14806e-01 0.00000e+00 0.00000e+00 2.88160e+01 327.271 1.54897e+01 327.271 0.2794 
1 1 1 1  32 14 o 3  5.76877e+01 2.87075e+01 2.31854e+01 326.544 8.86547e-01  -5.85813e-01 0.00000e+00 0.00000e+00 4.37974e+01 326.544 2.06119e+01 326.544 0.4681 
1 1 1 1  32 15 o 8  7.19294e+01 3.49814e+01 2.11731e+01 87.813  3.35502e-02  8.78673e-01  0.00000e+00 0.00000e+00 5.10729e+01 87.813  2.98998e+01 87.813  0.4020 
1 1 1 1  32 16 o 1  5.72865e+01 2.87441e+01 2.27767e+01 105.842 -2.85320e-01 1.00550e+00  0.00000e+00 0.00000e+00 4.38949e+01 105.842 2.11182e+01 105.842 0.4622 
1 1 1 1  32 17 o 14 5.76708e+01 2.91956e+01 3.34298e+01 223.158 -1.14183e+00 -1.07066e+00 0.00000e+00 0.00000e+00 5.61688e+01 223.158 2.27390e+01 223.158 0.6119 
1 1 1 1  32 18 o 16 4.89649e+01 2.51437e+01 1.55913e+01 57.961  4.37066e-01  6.98392e-01  0.00000e+00 0.00000e+00 3.21395e+01 57.961  1.65483e+01 57.961  0.3805 
1 1 1 1  32 19 f 0  3.82626e+01 1.70316e+01 2.18807e+01 37.268  1.36820e+00  1.04109e+00  0.00000e+00 0.00000e+00 4.20169e+01 37.268  2.01363e+01 37.268  0.6458 
1 1 1 1  32 20 o 12 4.96468e+01 1.92634e+01 2.30137e+01 245.591 -8.25248e-01 -1.81850e+00 0.00000e+00 0.00000e+00 6.73820e+01 245.591 4.43683e+01 245.591 0.6973 
1 1 1 1  33 0  o 11 4.32328e+01 2.84318e+01 1.02761e+01 270.000 -1.65945e-17 -2.71008e-01 0.00000e+00 0.00000e+00 1.76773e+01 270.000 7.40126e+00 270.000 0.2646 
1 1 1 1  33 1  o 13 5.06210e+01 2.38003e+01 3.40065e+01 285.618 4.55148e-01  -1.62818e+00 0.00000e+00 0.00000e+00 4.51717e+01 285.618 1.11652e+01 285.618 0.6398 
1 1 1 1  33 2  o 7  4.40236e+01 2.02909e+01 4.76227e+01 126.737 -1.51106e+00 2.02449e+00  0.00000e+00 0.00000e+00 3.50716e+01 126.737 1.25510e+01 306.737 0.7678 
1 1 1 1  33 3  o 6  5.23948e+01 2.19032e+01 3.83500e+01 180.413 -2.19710e+00 -1.58455e-02 0.00000e+00 0.00000e+00 5.50356e+01 180.413 1.66856e+01 180.413 0.7276 
1 1 1 1  33 4  o 10 5.12143e+01 2.08026e+01 3.76965e+01 316.256 1.59693e+00  -1.52839e+00 0.00000e+00 0.00000e+00 5.39780e+01 316.256 1.62815e+01 316.256 0.7295 
1 1 1 1  33 5  o 17 6.11409e+01 2.21817e+01 3.99512e+01 352.277 2.55131e+00  -3.45985e-01 0.00000e+00 0.00000e+00 7.62672e+01 352.277 3.63160e+01 352.277 0.7729 
1 1 1 1  33 6  o 17 4.90206e+01 1.91082e+01 4.20989e+01 270.334 1.55950e-02  -2.67700e+00 0.00000e+00 0.00000e+00 5.25580e+01 270.334 1.04591e+01 270.334 0.7830 
1 1 1 1  33 7  o 12 3.16075e+01 1.50578e+01 2.88253e+01 283.997 3.65602e-01  -1.46663e+00 0.00000e+00 0.00000e+00 1.80186e+01 283.997 1.08067e+01 103.997 0.5990 
1 1 1 1  33 8  o 13 6.36920e+01 3.03918e+01 3.16742e+01 139.728 -1.06096e+00 8.98866e-01  0.00000e+00 0.00000e+00 5.81613e+01 139.728 2.64872e+01 139.728 0.5679 
1 1 1 1  33 9  o 10 7.38352e+01 3.45475e+01 4.66645e+01 63.813  8.53286e-01  1.73508e+00  0.00000e+00 0.00000e+00 7.97805e+01 63.813  3.31160e+01 63.813  0.6866 
1 1 1 1  33 11 o 12 6.43080e+01 3.12306e+01 6.13703e+00 156.315 -2.47253e-01 1.08459e-01  0.00000e+00 0.00000e+00 1.55404e+01 156.315 9.40334e+00 156.315 0.1338 
1 1 1 1  33 12 o 16 7.23002e+01 3.45631e+01 1.56868e+01 177.863 -6.64664e-01 2.47999e-02  0.00000e+00 0.00000e+00 4.21109e+01 177.863 2.64241e+01 177.863 0.3154 
1 1 1 1  33 13 o 5  6.41105e+01 3.14302e+01 2.88821e+01 195.703 -1.21779e+00 -3.42368e-01 0.00000e+00 0.00000e+00 5.81766e+01 195.703 2.92945e+01 195.703 0.5325 
1 1 1 1  33 14 o 8  5.40963e+01 2.73167e+01 1.15817e+01 3.032   5.49510e-01  2.91065e-02  0.00000e+00 0.00000e+00 2.52602e+01 3.032   1.36785e+01 3.032   0.2652 
1 1 1 1  33 15 o 10 6.39209e+01 3.18909e+01 3.32374e+01 334.135 1.30675e+00  -6.33528e-01 0.00000e+00 0.00000e+00 6.33372e+01 334.135 3.00998e+01 334.135 0.5841 
1 1 1 1  33 16 o 14 5.06053e+01 2.58260e+01 8.93490e+00 198.718 -4.34916e-01 -1.47366e-01 0.00000e+00 0.00000e+00 2.05839e+01 198.718 1.16490e+01 198.718 0.2238 
1 1 1 1  33 17 o 6  4.51482e+01 2.32688e+01 1.68345e+01 67.399  3.55390e-01  8.53709e-01  0.00000e+00 0.00000e+00 3.29030e+01 67.399  1.60684e+01 67.399  0.4191 
1 1 1 1  33 18 o 19 4.88912e+01 2.51383e+01 1.29976e+01 36.981  5.49264e-01  4.13610e-01  0.00000e+00 0.00000e+00 2.91360e+01 36.981  1.61385e+01 36.981  0.3250 
1 1 1 1  33 19 o 19 5.34491e+01 2.73648e+01 2.01904e+01 201.355 -9.23203e-01 -3.60966e-01 0.00000e+00 0.00000e+00 4.32334e+01 201.355 2.30429e+01 201.355 0.4433 
1 1 1 1  34 0  o 11 1.02681e+02 3.89873e+01 6.35918e+00 270.000 -1.59836e-17 -2.61032e-01 0.00000e+00 0.00000e+00 6.00270e+01 270.000 5.36679e+01 270.000 0.2553 
1 1 1 1  34 1  o 2  4.58308e+01 2.22978e+01 4.37328e+01 272.689 1.02427e-01  -2.18053e+00 0.00000e+00 0.00000e+00 4.05221e+01 272.689 3.21068e+00 92.689  0.7256 
1 1 1 1  34 2  o 2  4.55500e+01 2.08458e+01 1.08461e+01 296.433 2.61949e-01  -5.26941e-01 0.00000e+00 0.00000e+00 2.17428e+01 296.433 1.08967e+01 296.433 0.2822 
1 1 1 1  34 3  o 3  4.87922e+01 2.13095e+01 2.41179e+01 62.679  6.23991e-01  1.20786e+00  0.00000e+00 0.00000e+00 4.51758e+01 62.679  2.10579e+01 62.679  0.5594 
1 1 1 1  34 4  f 0  3.30883e+01 1.58942e+01 4.14297e+01 76.883  5.25579e-01  2.25543e+00  0.00000e+00 0.00000e+00 2.11237e+01 76.883  2.03061e+01 256.883 0.7434 
1 1 1 1  34 5  o 18 3.88563e+01 1.77631e+01 5.41863e+00 163.913 -3.00290e-01 8.66012e-02  0.00000e+00 0.00000e+00 9.87163e+00 163.913 4.45300e+00 163.913 0.1544 
1 1 1 1  34 6  o 15 3.50808e+01 1.60433e+01 3.72588e+01 238.701 -1.21795e+00 -2.00328e+00 0.00000e+00 0.00000e+00 2.97172e+01 238.701 7.54157e+00 58.701  0.7470 
1 1 1 1  34 7  o 1  3.16581e+01 1.52021e+01 3.21831e+01 131.466 -1.28284e+00 1.45173e+00  0.00000e+00 0.00000e+00 2.36055e+01 131.466 8.57759e+00 311.466 0.6872 
1 1 1 1  34 8  o 9  6.02231e+01 2.94036e+01 1.13482e+01 65.388  2.18795e-01  4.77634e-01  0.00000e+00 0.00000e+00 2.80286e+01 65.388  1.66804e+01 65.388  0.2540 
1 1 1 1  34 9  o 16 4.68295e+01 2.36874e+01 2.04344e+01 276.964 1.25749e-01  -1.02954e+00 0.00000e+00 0.00000e+00 3.51818e+01 276.964 1.47474e+01 276.964 0.4594 
1 1 1 1  34 11 o 2  5.80068e+01 2.88895e+01 5.57467e+00 8.379   2.52414e-01  3.71798e-02  0.00000e+00 0.00000e+00 1.35931e+01 8.379   8.01842e+00 8.379   0.1265 
1 1 1 1  34 12 o 9  5.33808e+01 2.68853e+01 2.71522e+01 102.042 -2.76311e-01 1.29532e+00  0.00000e+00 0.00000e+00 4.99113e+01 102.042 2.27592e+01 102.042 0.5497 
1 1 1 1  34 13 o 13 5.27750e+01 2.67379e+01 1.77321e+01 320.538 6.82955e-01  -5.62229e-01 0.00000e+00 0.00000e+00 3.86237e+01 320.538 2.08915e+01 320.538 0.4040 
1 1 1 1  34 14 o 5  5.67962e+01 2.87256e+01 2.13341e+01 241.111 -4.82158e-01 -8.73827e-01 0.00000e+00 0.00000e+00 4.60291e+01 241.111 2.46950e+01 241.111 0.4457 
1 1 1 1  34 15 o 8  5.37787e+01 2.74144e+01 3.26165e+01 156.402 -1.44004e+00 6.29086e-01  0.00000e+00 0.00000e+00 5.58004e+01 156.402 2.31839e+01 156.402 0.6133 
1 1 1 1  34 16 o 8  5.46123e+01 2.78193e+01 1.21207e+01 312.737 3.97350e-01  -4.30052e-01 0.00000e+00 0.00000e+00 2.93241e+01 312.737 1.72034e+01 312.737 0.2809 
1 1 1 1  35 0  o 4  3.08258e+01 2.20780e+01 5.38024e+01 90.000  9.87453e-17  1.61263e+00  0.00000e+00 0.00000e+00 2.10071e+01 90.000  3.27953e+01 270.000 0.9235 
1 1 1 1  35 1  o 1  3.97851e+01 1.96510e+01 1.54880e+01 92.766  -4.23843e-02 8.77285e-01  0.00000e+00 0.00000e+00 2.65094e+01 92.766  1.10215e+01 92.766  0.4016 
1 1 1 1  35 2  o 9  6.01640e+01 2.55877e+01 3.85274e+01 233.683 -1.30082e+00 -1.76973e+00 0.00000e+00 0.00000e+00 7.66071e+01 233.683 3.80798e+01 233.683 0.7275 
1 1 1 1  35 3  o 4  3.57712e+01 1.73077e+01 2.75043e+01 315.245 1.18609e+00  -1.17600e+00 0.00000e+00 0.00000e+00 3.23662e+01 315.245 4.86193e+00 315.245 0.6355 
1 1 1 1  35 4  o 9  3.52183e+01 1.67829e+01 3.18748e+01 4.000   1.96726e+00  1.37580e-01  0.00000e+00 0.00000e+00 3.25303e+01 4.000   6.55552e-01 4.000   0.6931 
1 1 1 1  35 5  o 14 4.92789e+01 2.07783e+01 2.64377e+01 285.797 4.61177e-01  -1.63005e+00 0.00000e+00 0.00000e+00 5.70357e+01 285.797 3.05981e+01 285.797 0.6406 
1 1 1 1  35 6  o 13 4.43870e+01 1.88680e+01 1.33870e+01 333.032 8.19188e-01  -4.16820e-01 0.00000e+00 0.00000e+00 3.56949e+01 333.032 2.23080e+01 333.032 0.4170 
1 1 1 1  35 7  o 12 3.71574e+01 1.74938e+01 3.84208e+01 101.046 -4.98113e-01 2.55167e+00  0.00000e+00 0.00000e+00 3.82339e+01 101.046 1.86977e-01 281.046 0.7754 
1 1 1 1  35 8  o 5  4.67806e+01 2.34503e+01 2.55554e+01 99.777  -2.31491e-01 1.34347e+00  0.00000e+00 0.00000e+00 4.44627e+01 99.777  1.89072e+01 99.777  0.5605 
1 1 1 1  35 9  o 8  4.86069e+01 2.47145e+01 2.82384e+01 270.985 2.43661e-02  -1.41762e+00 0.00000e+00 0.00000e+00 4.67401e+01 270.985 1.85017e+01 270.985 0.5752 
1 1 1 1  35 10 f 0  5.27656e+01 2.66855e+01 2.20534e+01 241.972 -5.10526e-01 -9.59041e-01 0.00000e+00 0.00000e+00 4.56584e+01 241.972 2.36049e+01 241.972 0.4762 
1 1 1 1  35 11 f 0  5.63811e+01 2.83892e+01 3.09464e+01 77.172  3.21204e-01  1.41055e+00  0.00000e+00 0.00000e+00 5.80533e+01 77.172  2.71070e+01 77.172  0.5827 
1 1 1 1  35 12 o 12 5.46827e+01 2.77569e+01 1.13945e+01 199.343 -5.08257e-01 -1.78422e-01 0.00000e+00 0.00000e+00 2.73491e+01 199.343 1.59545e+01 199.343 0.2600 
1 1 1 1  35 13 o 8  4.98239e+01 2.54615e+01 1.25431e+01 312.320 4.32728e-01  -4.75222e-01 0.00000e+00 0.00000e+00 2.92412e+01 312.320 1.66981e+01 312.320 0.3058 
1 1 1 1  35 14 o 18 5.50267e+01 2.79950e+01 1.80028e+01 49.901  5.47557e-01  6.50268e-01  0.00000e+00 0.00000e+00 4.13635e+01 49.901  2.33607e+01 49.901  0.3908 
1 1 1 1  36 0  o 4  4.23135e+01 2.86367e+01 4.78440e+01 270.000 -8.77921e-17 -1.43375e+00 0.00000e+00 0.00000e+00 5.52128e+01 270.000 7.36879e+00 270.000 0.8924 
1 1 1 1  36 1  o 6  4.15081e+01 1.99128e+01 3.97020e+01 76.680  5.52061e-01  2.33172e+00  0.00000e+00 0.00000e+00 4.56441e+01 76.680  5.94213e+00 76.680  0.7532 
1 1 1 1  36 2  o 2  6.98385e+01 2.78496e+01 2.40903e+01 110.579 -4.90336e-01 1.30595e+00  0.00000e+00 0.00000e+00 8.44834e+01 110.579 6.03931e+01 110.579 0.5691 
1 1 1 1  36 3  o 18 4.47261e+01 2.04898e+01 8.25780e+00 235.415 -3.06711e-01 -4.44850e-01 0.00000e+00 0.00000e+00 2.36443e+01 235.415 1.53865e+01 235.415 0.2608 
1 1 1 1  36 4  o 7  3.39656e+01 1.64256e+01 3.11106e+01 239.610 -1.11549e+00 -1.90209e+00 0.00000e+00 0.00000e+00 3.67132e+01 239.610 5.60256e+00 239.610 0.7287 
1 1 1 1  36 5  o 13 3.45273e+01 1.64496e+01 1.35177e+01 260.991 -1.51813e-01 -9.57550e-01 0.00000e+00 0.00000e+00 2.77769e+01 260.991 1.42591e+01 260.991 0.4355 
1 1 1 1  36 6  o 19 4.85409e+01 1.99244e+01 8.56675e+00 77.584  1.35680e-01  6.16298e-01  0.00000e+00 0.00000e+00 3.16444e+01 77.584  2.30777e+01 77.584  0.3008 
1 1 1 1  36 7  o 15 3.33556e+01 1.60466e+01 1.15654e+01 272.713 3.96519e-02  -8.36665e-01 0.00000e+00 0.00000e+00 2.40010e+01 272.713 1.24356e+01 272.713 0.3859 
1 1 1 1  36 8  o 10 5.24525e+01 2.60698e+01 5.30422e+00 180.313 -2.65541e-01 -1.45063e-03 0.00000e+00 0.00000e+00 1.38430e+01 180.313 8.53878e+00 180.313 0.1316 
1 1 1 1  36 10 f 0  5.49326e+01 2.73202e+01 1.87541e+01 314.337 6.38954e-01  -6.53911e-01 0.00000e+00 0.00000e+00 4.50788e+01 314.337 2.63247e+01 314.337 0.4152 
1 1 1 1  36 11 o 15 4.94643e+01 2.50070e+01 1.73142e+01 147.465 -7.50620e-01 4.78834e-01  0.00000e+00 0.00000e+00 3.92179e+01 147.465 2.19037e+01 147.465 0.4062 
1 1 1 1  37 0  o 2  3.32975e+01 2.37405e+01 2.17699e+00 270.000 -4.48469e-18 -7.32405e-02 0.00000e+00 0.00000e+00 4.73037e+00 270.000 2.55337e+00 270.000 0.0731 
1 1 1 1  37 1  o 2  4.70333e+01 2.20573e+01 2.56795e+01 245.007 -6.61875e-01 -1.41984e+00 0.00000e+00 0.00000e+00 5.60355e+01 245.007 3.03560e+01 245.007 0.6122 
1 1 1 1  37 2  o 6  4.29089e+01 2.15115e+01 1.16873e+01 37.964  5.35875e-01  4.18127e-01  0.00000e+00 0.00000e+00 2.75103e+01 37.964  1.58230e+01 37.964  0.3216 
1 1 1 1  37 3  o 19 4.18830e+01 1.97819e+01 1.78596e+01 4.035   1.17103e+00  8.26094e-02  0.00000e+00 0.00000e+00 4.22476e+01 4.035   2.43880e+01 4.035   0.5046 
1 1 1 1  37 4  o 17 4.63494e+01 2.07906e+01 1.70142e+01 308.451 7.03969e-01  -8.86568e-01 0.00000e+00 0.00000e+00 4.78503e+01 308.451 3.08361e+01 308.451 0.4912 
1 1 1 1  37 5  o 7  4.93674e+01 2.10771e+01 2.95636e+01 129.464 -1.29790e+00 1.57651e+00  0.00000e+00 0.00000e+00 6.97527e+01 129.464 4.01891e+01 129.464 0.7046 
1 1 1 1  37 6  o 14 3.06564e+01 1.47063e+01 2.31917e+01 136.303 -1.31697e+00 1.25837e+00  0.00000e+00 0.00000e+00 3.52842e+01 136.303 1.20924e+01 136.303 0.6662 
1 1 1 2  0  8  o 5  1.07061e+03 3.26761e+01 6.40393e+02 180.000 -7.55215e+00 0.00000e+00  0.00000e+00 0.00000e+00 8.35779e+02 180.000 1.95387e+02 180.000 1.0000 
1 1 1 2  0  9  o 14 1.10581e+03 3.36542e+01 9.59694e+02 270.000 -5.94783e-16 -9.71355e+00 0.00000e+00 0.00000e+00 5.71575e+02 270.000 3.88119e+02 90.000  1.0000 
1 1 1 2  0  11 o 17 8.67171e+02 2.76276e+01 7.61658e+02 90.000  5.57562e-16  9.10568e+00  0.00000e+00 0.00000e+00 4.51326e+02 90.000  3.10332e+02 270.000 1.0000 
1 1 1 2  0  12 o 4  1.26720e+03 3.81092e+01 1.35041e+03 0.000   2.20666e+01  0.00000e+00  0.00000e+00 0.00000e+00 4.32443e+02 0.000   9.17964e+02 180.000 1.0000 
1 1 1 2  0  13 o 10 3.10585e+02 2.30827e+01 2.99592e+02 270.000 -1.19799e-16 -1.95647e+00 0.00000e+00 0.00000e+00 1.22910e+02 270.000 1.76682e+02 90.000  0.9608 
1 1 1 2  0  14 o 5  5.58449e+02 2.07211e+01 4.85786e+02 180.000 -7.14803e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.10277e+02 180.000 1.75509e+02 0.000   1.0000 
1 1 1 2  0  15 o 18 5.48307e+02 2.07392e+01 4.01457e+02 270.000 -4.60759e-16 -7.52477e+00 0.00000e+00 0.00000e+00 3.85885e+02 270.000 1.55723e+01 90.000  1.0000 
1 1 1 2  0  16 o 1  4.17474e+02 1.85183e+01 2.41765e+02 0.000   3.65479e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.61604e+02 0.000   1.19839e+02 0.000   0.9987 
1 1 1 2  0  17 o 17 3.82785e+02 2.56703e+01 2.82809e+02 270.000 -3.19807e-16 -5.22284e+00 0.00000e+00 0.00000e+00 2.75762e+02 270.000 7.04706e+00 90.000  0.9999 
1 1 1 2  0  18 o 7  7.04872e+02 3.50127e+01 4.73405e+02 0.000   1.98881e+01  0.00000e+00  0.00000e+00 0.00000e+00 5.64346e+02 0.000   9.09407e+01 0.000   1.0000 
1 1 1 2  0  19 o 3  4.11954e+02 2.70903e+01 3.64839e+02 90.000  6.22913e-16  1.01729e+01  0.00000e+00 0.00000e+00 2.47347e+02 90.000  1.17491e+02 270.000 1.0000 
1 1 1 2  0  20 o 17 1.42861e+02 3.87304e+01 5.55453e+01 180.000 -6.44980e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.62924e+01 180.000 1.07472e+01 180.000 0.5683 
1 1 1 2  0  21 o 14 1.54193e+02 4.16224e+01 6.50736e+01 90.000  4.85526e-17  7.92924e-01  0.00000e+00 0.00000e+00 8.92548e+01 90.000  2.41812e+01 90.000  0.6601 
1 1 1 2  0  23 o 10 3.70087e+02 2.98826e+01 3.25948e+02 270.000 -7.55465e-16 -1.23377e+01 0.00000e+00 0.00000e+00 2.47821e+02 270.000 7.81273e+01 90.000  1.0000 
1 1 1 2  0  24 o 7  1.22780e+02 5.25592e+01 5.22722e+01 180.000 -6.32384e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.55373e+01 180.000 3.26507e+00 180.000 0.5597 
1 1 1 2  0  25 o 4  9.88318e+01 5.24429e+01 5.58493e+01 90.000  3.35198e-17  5.47421e-01  0.00000e+00 0.00000e+00 2.24185e+01 90.000  3.34308e+01 270.000 0.4986 
1 1 1 2  0  26 o 13 1.70948e+02 5.56298e+01 2.37443e+01 0.000   3.86619e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.75922e+01 0.000   5.38479e+01 0.000   0.3684 
1 1 1 2  0  27 o 6  1.20094e+02 5.82864e+01 1.91283e+02 270.000 -1.24837e-16 -2.03874e+00 0.00000e+00 0.00000e+00 1.99047e+00 90.000  1.93273e+02 90.000  0.9667 
1 1 1 2  0  28 o 9  4.75577e+01 3.36767e+01 4.44226e+01 180.000 -2.95231e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.18607e+01 0.000   6.62832e+01 0.000   0.2869 
1 1 1 2  0  29 f 0  7.06301e+01 4.49921e+01 7.93161e+01 90.000  4.87209e-17  7.95672e-01  0.00000e+00 0.00000e+00 9.37717e-01 270.000 8.02538e+01 270.000 0.6616 
1 1 1 2  0  30 o 5  6.52830e+01 4.02201e+01 6.34277e+00 180.000 -8.37573e-02 0.00000e+00  0.00000e+00 0.00000e+00 2.94420e+00 180.000 3.39856e+00 0.000   0.0836 
1 1 1 2  0  31 o 9  1.25233e+02 5.08505e+01 8.60134e+01 90.000  1.13840e-16  1.85914e+00  0.00000e+00 0.00000e+00 1.20227e+02 90.000  3.42133e+01 90.000  0.9526 
1 1 1 2  0  32 f 0  4.32608e+01 3.02048e+01 2.15683e+01 0.000   2.98839e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.86921e-01 0.000   2.10814e+01 180.000 0.2902 
1 1 1 2  0  33 o 5  1.19806e+02 5.26612e+01 5.01768e+01 270.000 -8.28247e-17 -1.35263e+00 0.00000e+00 0.00000e+00 1.36930e+02 270.000 8.67530e+01 270.000 0.8747 
1 1 1 2  0  35 o 7  7.45891e+01 4.63808e+01 2.99432e+01 270.000 -4.64550e-17 -7.58668e-01 0.00000e+00 0.00000e+00 5.83062e+01 270.000 2.83630e+01 270.000 0.6403 
1 1 1 2  0  36 f 0  4.35226e+01 3.14333e+01 2.66889e+01 0.000   6.73118e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.13737e+01 0.000   5.31518e+00 180.000 0.5870 
1 1 1 2  0  37 o 13 8.47085e+01 5.37689e+01 1.85025e+01 270.000 -2.83586e-17 -4.63132e-01 0.00000e+00 0.00000e+00 5.17200e+01 270.000 3.32175e+01 270.000 0.4326 
1 1 1 2  0  38 o 19 5.00635e+01 3.60616e+01 1.06319e+01 180.000 -3.04913e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.82859e+01 180.000 7.65399e+00 180.000 0.2958 
1 1 1 2  0  39 o 12 5.63509e+01 4.00391e+01 1.56618e+01 90.000  2.83362e-17  4.62766e-01  0.00000e+00 0.00000e+00 3.28446e+01 90.000  1.71828e+01 90.000  0.4323 
1 1 1 2  0  40 o 12 4.89250e+01 3.56434e+01 1.74077e+01 0.000   5.61242e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.31620e+01 0.000   1.57543e+01 0.000   0.5089 
1 1 1 2  1  8  o 12 6.62909e+02 1.58203e+01 3.05996e+02 178.132 -4.42523e+00 1.44339e-01  0.00000e+00 0.00000e+00 4.97103e+02 178.132 1.91107e+02 178.132 0.8782 
1 1 1 2  1  9  o 4  4.91820e+02 1.32302e+01 6.08724e+02 105.209 -1.42901e+00 5.25639e+00  0.00000e+00 0.00000e+00 6.46109e+00 105.209 6.02263e+02 285.209 0.9028 
1 1 1 2  1  10 o 13 1.20594e+03 3.64445e+01 1.01720e+03 29.356  2.11537e+01  1.18983e+01  0.00000e+00 0.00000e+00 6.26680e+02 29.356  3.90516e+02 209.356 0.9792 
1 1 1 2  1  11 o 5  6.88683e+02 1.63739e+01 5.92744e+02 224.672 -7.89344e+00 -7.80368e+00 0.00000e+00 0.00000e+00 3.26589e+02 224.672 2.66155e+02 44.672  0.9538 
1 1 1 2  1  12 o 6  1.01879e+03 2.56673e+01 6.19995e+02 227.109 -1.10301e+01 -1.18737e+01 0.00000e+00 0.00000e+00 7.69146e+02 227.109 1.49150e+02 227.109 0.9686 
1 1 1 2  1  13 o 16 2.01669e+02 1.27514e+01 1.56693e+02 86.679  7.68091e-02  1.32351e+00  0.00000e+00 0.00000e+00 4.34056e-01 86.679  1.56259e+02 266.679 0.5500 
1 1 1 2  1  14 o 16 7.10640e+02 1.69735e+01 4.91315e+02 196.164 -1.75417e+01 -5.08424e+00 0.00000e+00 0.00000e+00 4.94085e+02 196.164 2.76926e+00 196.164 0.9722 
1 1 1 2  1  15 o 17 9.69715e+02 2.16200e+01 6.48153e+02 314.885 2.98361e+01  -2.99557e+01 0.00000e+00 0.00000e+00 7.28479e+02 314.885 8.03259e+01 314.885 0.9881 
1 1 1 2  1  16 o 7  7.71925e+02 1.82758e+01 5.17650e+02 343.957 2.74825e+01  -7.90256e+00 0.00000e+00 0.00000e+00 5.80373e+02 343.957 6.27236e+01 343.957 0.9824 
1 1 1 2  1  17 o 10 3.27678e+02 1.71694e+01 2.86068e+02 338.427 8.40699e+00  -3.32391e+00 0.00000e+00 0.00000e+00 1.65080e+02 338.427 1.20988e+02 158.427 0.9430 
1 1 1 2  1  18 o 18 6.15377e+02 2.25138e+01 4.86420e+02 123.079 -1.96075e+01 3.01017e+01  0.00000e+00 0.00000e+00 4.07347e+02 123.079 7.90731e+01 303.079 0.9860 
1 1 1 2  1  19 o 18 3.78762e+02 1.85249e+01 3.43732e+02 197.118 -1.68464e+01 -5.18839e+00 0.00000e+00 0.00000e+00 2.03214e+02 197.118 1.40518e+02 17.118  0.9712 
1 1 1 2  1  20 o 14 2.89873e+02 1.90682e+01 2.56822e+02 14.829  1.22537e+01  3.24430e+00  0.00000e+00 0.00000e+00 1.60896e+02 14.829  9.59254e+01 194.829 0.9597 
1 1 1 2  1  21 f 0  3.19986e+02 1.96247e+01 1.15541e+02 21.264  5.76867e+00  2.24498e+00  0.00000e+00 0.00000e+00 3.28764e+02 21.264  2.13223e+02 21.264  0.9152 
1 1 1 2  1  22 o 11 3.30973e+02 2.87707e+01 2.32165e+02 220.910 -1.04993e+01 -9.09794e+00 0.00000e+00 0.00000e+00 2.56820e+02 220.910 2.46547e+01 220.910 0.9633 
1 1 1 2  1  23 o 12 1.76193e+02 3.62016e+01 1.13210e+01 24.563  3.25977e-01  1.48987e-01  0.00000e+00 0.00000e+00 3.68875e+01 24.563  2.55666e+01 24.563  0.1764 
1 1 1 2  1  24 o 11 1.20965e+02 3.38873e+01 4.62198e+01 338.895 1.06509e+00  -4.11100e-01 0.00000e+00 0.00000e+00 4.76445e+01 338.895 1.42465e+00 338.895 0.4943 
1 1 1 2  1  25 o 8  1.13303e+02 3.78101e+01 1.10234e+02 172.413 -2.43245e+00 3.23988e-01  0.00000e+00 0.00000e+00 2.65925e+01 172.413 8.36418e+01 352.413 0.7599 
1 1 1 2  1  26 o 13 2.29877e+02 2.94976e+01 9.45774e+01 249.868 -1.58908e+00 -4.33499e+00 0.00000e+00 0.00000e+00 2.32425e+02 249.868 1.37848e+02 249.868 0.8837 
1 1 1 2  1  27 o 16 1.09442e+02 3.97941e+01 6.64381e+01 29.086  1.14607e+00  6.37523e-01  0.00000e+00 0.00000e+00 3.10406e+01 29.086  3.53975e+01 209.086 0.5460 
1 1 1 2  1  28 o 17 9.58176e+01 3.67400e+01 6.52490e+01 126.552 -8.80656e-01 1.18789e+00  0.00000e+00 0.00000e+00 2.83996e+01 126.552 3.68493e+01 306.552 0.5908 
1 1 1 2  1  29 o 19 1.04385e+02 3.82284e+01 6.78347e+01 46.432  1.25150e+00  1.31569e+00  0.00000e+00 0.00000e+00 4.86733e+01 46.432  1.91614e+01 226.432 0.6651 
1 1 1 2  1  30 o 16 9.17558e+01 3.29739e+01 7.10027e+01 22.712  2.21728e+00  9.28074e-01  0.00000e+00 0.00000e+00 4.68553e+01 22.712  2.41474e+01 202.712 0.7541 
1 1 1 2  1  31 o 13 9.67699e+01 3.32650e+01 7.24587e+01 296.952 1.35527e+00  -2.66539e+00 0.00000e+00 0.00000e+00 6.29989e+01 296.952 9.45980e+00 116.952 0.8093 
1 1 1 2  1  32 o 11 1.70632e+02 2.84887e+01 9.93645e+01 294.382 3.73458e+00  -8.23966e+00 0.00000e+00 0.00000e+00 1.83414e+02 294.382 8.40498e+01 294.382 0.9430 
1 1 1 2  1  33 o 6  5.07265e+01 2.45587e+01 1.25907e+01 267.058 -2.15213e-02 -4.18713e-01 0.00000e+00 0.00000e+00 6.00100e+00 267.058 6.58968e+00 87.058  0.2052 
1 1 1 2  1  35 o 10 7.21074e+01 3.22540e+01 4.49268e+01 119.843 -1.11951e+00 1.95138e+00  0.00000e+00 0.00000e+00 5.30313e+01 119.843 8.10449e+00 119.843 0.7348 
1 1 1 2  1  36 o 17 5.37151e+01 2.64989e+01 4.37284e+01 349.765 2.18259e+00  -3.94068e-01 0.00000e+00 0.00000e+00 3.01269e+01 349.765 1.36015e+01 169.765 0.7305 
1 1 1 2  1  37 o 18 7.67293e+01 3.54299e+01 1.80839e+01 298.723 4.41461e-01  -8.05591e-01 0.00000e+00 0.00000e+00 4.32306e+01 298.723 2.51468e+01 298.723 0.4168 
1 1 1 2  1  38 o 3  5.73007e+01 2.84084e+01 2.75065e+01 132.223 -1.03196e+00 1.13719e+00  0.00000e+00 0.00000e+00 4.02045e+01 132.223 1.26980e+01 132.223 0.6048 
1 1 1 2  1  39 o 15 4.91175e+01 2.49526e+01 6.89293e+00 344.077 4.19674e-01  -1.19732e-01 0.00000e+00 0.00000e+00 1.39654e+01 344.077 7.07244e+00 344.077 0.2132 
1 1 1 2  1  40 o 1  5.30285e+01 2.68227e+01 1.80839e+00 135.117 -8.04417e-02 8.01145e-02  0.00000e+00 0.00000e+00 4.29897e+00 135.117 2.49057e+00 135.117 0.0567 
1 1 1 2  2  8  o 14 3.79996e+02 1.66255e+01 3.34097e+02 52.343  1.62666e+00  2.10793e+00  0.00000e+00 0.00000e+00 7.62845e+01 52.343  2.57813e+02 232.343 0.7816 
1 1 1 2  2  9  o 5  1.64631e+03 3.92906e+01 9.77477e+02 0.804   3.62773e+01  5.09366e-01  0.00000e+00 0.00000e+00 1.27540e+03 0.804   2.97919e+02 0.804   0.9861 
1 1 1 2  2  10 o 13 8.56265e+02 1.92135e+01 9.38356e+02 13.598  2.43002e+01  5.87787e+00  0.00000e+00 0.00000e+00 2.31464e+02 13.598  7.06892e+02 193.598 0.9798 
1 1 1 2  2  11 o 13 2.11095e+02 1.23264e+01 8.41194e+01 51.258  2.96097e-01  3.69033e-01  0.00000e+00 0.00000e+00 1.60056e+01 231.258 1.00125e+02 231.258 0.2302 
1 1 1 2  2  12 o 3  8.38447e+02 2.19394e+01 5.49634e+02 152.598 -1.03340e+01 5.35702e+00  0.00000e+00 0.00000e+00 5.80533e+02 152.598 3.08992e+01 152.598 0.9560 
1 1 1 2  2  13 o 18 8.40282e+02 1.90863e+01 6.02401e+02 189.786 -2.04718e+01 -3.53082e+00 0.00000e+00 0.00000e+00 5.60767e+02 189.786 4.16342e+01 9.786   0.9756 
1 1 1 2  2  14 o 1  9.42201e+02 2.42870e+01 5.71255e+02 261.833 -4.65047e+00 -3.24052e+01 0.00000e+00 0.00000e+00 7.53992e+02 261.833 1.82737e+02 261.833 0.9846 
1 1 1 2  2  15 o 17 2.27778e+02 1.16177e+01 3.62558e+02 263.660 -6.16086e-01 -5.54531e+00 0.00000e+00 0.00000e+00 6.58258e+01 83.660  4.28384e+02 83.660  0.9053 
1 1 1 2  2  16 o 3  1.56957e+02 1.44458e+01 1.29142e+02 323.084 1.59640e+00  -1.19931e+00 0.00000e+00 0.00000e+00 2.95730e+01 323.084 9.95694e+01 143.084 0.6972 
1 1 1 2  2  17 o 2  4.80255e+02 1.95492e+01 3.32605e+02 52.455  9.24868e+00  1.20336e+01  0.00000e+00 0.00000e+00 3.46187e+02 52.455  1.35825e+01 52.455  0.9665 
1 1 1 2  2  18 o 10 5.04391e+02 2.02409e+01 3.93647e+02 149.654 -2.05853e+01 1.20514e+01  0.00000e+00 0.00000e+00 3.34759e+02 149.654 5.88882e+01 329.654 0.9788 
1 1 1 2  2  19 o 3  4.87735e+02 2.02309e+01 3.02413e+02 291.254 7.14413e+00  -1.83670e+01 0.00000e+00 0.00000e+00 4.05260e+02 291.254 1.02847e+02 291.254 0.9743 
1 1 1 2  2  20 o 5  2.32917e+02 1.98065e+01 2.41817e+02 26.284  8.51772e+00  4.20678e+00  0.00000e+00 0.00000e+00 8.94930e+01 26.284  1.52324e+02 206.284 0.9458 
1 1 1 2  2  21 o 11 1.58584e+02 2.48984e+01 9.99005e+01 261.955 -3.58651e-01 -2.53757e+00 0.00000e+00 0.00000e+00 8.60544e+01 261.955 1.38460e+01 81.955  0.7717 
1 1 1 2  2  22 o 10 2.85929e+02 2.93644e+01 2.38724e+02 243.879 -5.38424e+00 -1.09802e+01 0.00000e+00 0.00000e+00 1.82145e+02 243.879 5.65788e+01 63.879  0.9582 
1 1 1 2  2  23 o 4  2.36802e+02 3.29410e+01 1.68692e+02 69.254  2.76728e+00  7.30555e+00  0.00000e+00 0.00000e+00 1.74796e+02 69.254  6.10391e+00 69.254  0.9336 
1 1 1 2  2  24 o 12 2.19095e+02 2.56611e+01 1.27028e+02 57.896  3.26637e+00  5.20633e+00  0.00000e+00 0.00000e+00 1.88007e+02 57.896  6.09786e+01 57.896  0.9146 
1 1 1 2  2  25 o 3  7.63393e+01 3.29752e+01 4.62180e+01 238.938 -2.97022e-01 -4.93120e-01 0.00000e+00 0.00000e+00 1.26158e+01 58.938  5.88338e+01 58.938  0.2765 
1 1 1 2  2  26 o 1  2.35892e+02 2.83315e+01 1.47038e+02 237.812 -3.95883e+00 -6.28947e+00 0.00000e+00 0.00000e+00 2.06701e+02 237.812 5.96635e+01 237.812 0.9301 
1 1 1 2  2  27 o 4  2.54598e+02 2.98039e+01 1.57840e+02 161.676 -7.64622e+00 2.53224e+00  0.00000e+00 0.00000e+00 2.31431e+02 161.676 7.35904e+01 161.676 0.9357 
1 1 1 2  2  28 o 9  9.22786e+01 3.63732e+01 1.08585e+02 31.495  2.20300e+00  1.34971e+00  0.00000e+00 0.00000e+00 9.72296e+00 31.495  9.88616e+01 211.495 0.7738 
1 1 1 2  2  29 o 18 2.47952e+02 2.77736e+01 1.56797e+02 293.117 5.14170e+00  -1.20446e+01 0.00000e+00 0.00000e+00 2.43731e+02 293.117 8.69331e+01 293.117 0.9610 
1 1 1 2  2  30 f 0  1.15186e+02 3.43953e+01 5.83924e+01 137.806 -1.88312e+00 1.70716e+00  0.00000e+00 0.00000e+00 9.28173e+01 137.806 3.44249e+01 137.806 0.7695 
1 1 1 2  2  31 o 9  9.57259e+01 3.36624e+01 4.98720e+01 31.567  1.71516e+00  1.05381e+00  0.00000e+00 0.00000e+00 6.62032e+01 31.567  1.63312e+01 31.567  0.6999 
1 1 1 2  2  32 o 1  8.94465e+01 3.30090e+01 2.33453e+01 264.996 -8.58483e-02 -9.80561e-01 0.00000e+00 0.00000e+00 4.60580e+01 264.996 2.27127e+01 264.996 0.4408 
1 1 1 2  2  33 o 9  1.43703e+02 4.43155e+01 1.05328e+02 159.623 -5.17339e+00 1.92160e+00  0.00000e+00 0.00000e+00 1.27162e+02 159.623 2.18341e+01 159.623 0.9042 
1 1 1 2  2  34 o 18 7.36399e+01 3.20027e+01 3.54208e+01 234.740 -9.43065e-01 -1.33390e+00 0.00000e+00 0.00000e+00 4.86668e+01 234.740 1.32460e+01 234.740 0.6275 
1 1 1 2  2  35 o 19 6.41384e+01 3.13985e+01 8.02696e+01 287.527 1.11424e+00  -3.52822e+00 0.00000e+00 0.00000e+00 2.07915e+01 287.527 5.94781e+01 107.527 0.8509 
1 1 1 2  2  36 o 3  6.43864e+01 3.05354e+01 1.75534e+01 39.860  6.79183e-01  5.67081e-01  0.00000e+00 0.00000e+00 3.14955e+01 39.860  1.39421e+01 39.860  0.4041 
1 1 1 2  2  37 o 13 5.56351e+01 2.76395e+01 2.61651e+00 13.519  1.43830e-01  3.45821e-02  0.00000e+00 0.00000e+00 5.26379e+00 13.519  2.64728e+00 13.519  0.0738 
1 1 1 2  2  38 o 10 5.06372e+01 2.55621e+01 1.09476e+01 96.397  -7.03990e-02 6.27869e-01  0.00000e+00 0.00000e+00 1.88912e+01 96.397  7.94360e+00 96.397  0.3011 
1 1 1 2  2  39 o 13 4.40171e+01 2.25281e+01 2.06299e+01 45.456  9.62252e-01  9.77704e-01  0.00000e+00 0.00000e+00 2.87992e+01 45.456  8.16938e+00 45.456  0.5628 
1 1 1 2  2  40 o 1  5.10874e+01 2.58702e+01 1.54039e+01 299.906 4.93667e-01  -8.58309e-01 0.00000e+00 0.00000e+00 3.06496e+01 299.906 1.52457e+01 299.906 0.4429 
1 1 1 2  3  7  o 2  1.18955e+03 2.51819e+01 7.13234e+02 256.863 -3.44012e+00 -1.47398e+01 0.00000e+00 0.00000e+00 8.73415e+02 256.863 1.60180e+02 256.863 0.9664 
1 1 1 2  3  8  o 18 4.88999e+02 1.31413e+01 4.87992e+02 43.622  3.40920e+00  3.24906e+00  0.00000e+00 0.00000e+00 1.12381e+02 43.622  3.75611e+02 223.622 0.8862 
1 1 1 2  3  9  o 8  3.59482e+02 1.32630e+01 3.91834e+02 13.493  2.99742e+00  7.19236e-01  0.00000e+00 0.00000e+00 1.62695e+01 13.493  3.75564e+02 193.493 0.8159 
1 1 1 2  3  10 o 17 8.08612e+02 1.83856e+01 5.23142e+02 196.402 -1.21066e+01 -3.56358e+00 0.00000e+00 0.00000e+00 5.61610e+02 196.402 3.84675e+01 196.402 0.9595 
1 1 1 2  3  11 o 18 2.33876e+02 1.53128e+01 2.03549e+02 245.012 -5.16001e-01 -1.10718e+00 0.00000e+00 0.00000e+00 3.28150e+01 65.012  2.36364e+02 65.012  0.5194 
1 1 1 2  3  13 o 2  2.29520e+02 1.61442e+01 1.93450e+02 184.376 -1.77549e+00 -1.35877e-01 0.00000e+00 0.00000e+00 2.14878e+01 184.376 1.71962e+02 4.376   0.6583 
1 1 1 2  3  14 o 9  1.83918e+02 1.34312e+01 1.89278e+02 240.766 -1.02956e+00 -1.83962e+00 0.00000e+00 0.00000e+00 9.87214e-01 60.766  1.90265e+02 60.766  0.7148 
1 1 1 2  3  15 o 9  4.78067e+02 1.36277e+01 2.78631e+02 41.476  6.59789e+00  5.83230e+00  0.00000e+00 0.00000e+00 3.70720e+02 41.476  9.20884e+01 41.476  0.9414 
1 1 1 2  3  16 o 14 6.62690e+02 1.89605e+01 5.58661e+02 118.468 -1.69171e+01 3.11995e+01  0.00000e+00 0.00000e+00 3.91337e+02 118.468 1.67324e+02 298.468 0.9858 
1 1 1 2  3  17 o 18 1.70770e+02 1.50421e+01 1.31368e+02 207.160 -1.95694e+00 -1.00402e+00 0.00000e+00 0.00000e+00 5.09168e+01 207.160 8.04509e+01 27.160  0.7280 
1 1 1 2  3  18 o 4  2.65264e+02 1.75154e+01 1.37020e+02 266.386 -2.74315e-01 -4.34303e+00 0.00000e+00 0.00000e+00 2.06658e+02 266.386 6.96387e+01 266.386 0.8758 
1 1 1 2  3  19 o 2  5.01801e+02 2.06187e+01 2.85183e+02 352.947 1.87418e+01  -2.31893e+00 0.00000e+00 0.00000e+00 4.43990e+02 352.947 1.58807e+02 352.947 0.9732 
1 1 1 2  3  20 o 18 2.48135e+02 2.02575e+01 1.69225e+02 302.057 3.71503e+00  -5.93211e+00 0.00000e+00 0.00000e+00 1.77086e+02 302.057 7.86143e+00 302.057 0.9255 
1 1 1 2  3  21 o 16 5.30125e+02 3.19305e+01 4.04281e+02 178.500 -3.27712e+01 8.57961e-01  0.00000e+00 0.00000e+00 3.91018e+02 178.500 1.32632e+01 358.500 0.9846 
1 1 1 2  3  22 o 4  6.88490e+01 2.82977e+01 3.40617e+01 10.693  4.56376e-01  8.61774e-02  0.00000e+00 0.00000e+00 1.00770e+01 190.693 4.41387e+01 190.693 0.2262 
1 1 1 2  3  23 o 6  2.18047e+02 2.41198e+01 1.19851e+02 301.155 2.84459e+00  -4.70527e+00 0.00000e+00 0.00000e+00 1.87145e+02 301.155 6.72934e+01 301.155 0.9038 
1 1 1 2  3  24 o 16 1.10194e+02 3.64904e+01 6.92940e+01 98.388  -2.19075e-01 1.48571e+00  0.00000e+00 0.00000e+00 3.43363e+01 98.388  3.49577e+01 278.388 0.5966 
1 1 1 2  3  25 o 12 2.85758e+02 2.56855e+01 1.28618e+02 343.129 6.04478e+00  -1.83325e+00 0.00000e+00 0.00000e+00 2.89604e+02 343.129 1.60986e+02 343.129 0.9170 
1 1 1 2  3  26 o 8  3.42134e+02 2.57043e+01 2.48405e+02 330.802 1.62222e+01  -9.06549e+00 0.00000e+00 0.00000e+00 2.89613e+02 330.802 4.12085e+01 330.802 0.9727 
1 1 1 2  3  27 o 18 1.17765e+02 4.01099e+01 9.76751e+01 109.590 -6.88802e-01 1.93540e+00  0.00000e+00 0.00000e+00 3.86406e+01 109.590 5.90345e+01 289.590 0.7065 
1 1 1 2  3  28 o 11 1.79371e+02 3.69603e+01 1.42150e+02 134.063 -4.51513e+00 4.66534e+00  0.00000e+00 0.00000e+00 1.31816e+02 134.063 1.03335e+01 314.063 0.9194 
1 1 1 2  3  29 f 0  2.28635e+02 2.89266e+01 1.11890e+02 294.100 3.44417e+00  -7.69942e+00 0.00000e+00 0.00000e+00 2.49819e+02 294.100 1.37929e+02 294.100 0.9387 
1 1 1 2  3  30 o 8  1.72177e+02 2.95963e+01 1.18061e+02 270.044 6.60417e-03  -8.50232e+00 0.00000e+00 0.00000e+00 1.58560e+02 270.044 4.04991e+01 270.044 0.9392 
1 1 1 2  3  31 o 10 7.59298e+01 3.10972e+01 9.89571e+00 178.911 -3.36389e-01 6.39576e-03  0.00000e+00 0.00000e+00 1.19848e+01 178.911 2.08913e+00 178.911 0.1659 
1 1 1 2  3  32 o 18 8.38443e+01 3.27710e+01 5.24778e+01 184.498 -2.07632e+00 -1.63327e-01 0.00000e+00 0.00000e+00 5.27218e+01 184.498 2.43998e-01 184.498 0.7109 
1 1 1 2  3  33 o 3  1.04075e+02 4.07403e+01 1.14650e+01 152.617 -4.45698e-01 2.30856e-01  0.00000e+00 0.00000e+00 3.39797e+01 152.617 2.25147e+01 152.617 0.2434 
1 1 1 2  3  34 o 13 9.39174e+01 3.59840e+01 6.28498e+01 98.341  -4.63575e-01 3.16183e+00  0.00000e+00 0.00000e+00 7.82671e+01 98.341  1.54173e+01 98.341  0.8235 
1 1 1 2  3  35 o 7  1.06957e+02 4.50945e+01 4.50438e+01 357.584 2.07989e+00  -8.77389e-02 0.00000e+00 0.00000e+00 9.61028e+01 357.584 5.10590e+01 357.584 0.7108 
1 1 1 2  3  36 o 13 5.00185e+01 2.50485e+01 6.16204e+01 269.707 -1.59034e-02 -3.10751e+00 0.00000e+00 0.00000e+00 1.56845e+01 269.707 4.59359e+01 89.707  0.8176 
1 1 1 2  3  37 o 1  5.80351e+01 2.85857e+01 4.31452e+01 139.439 -1.83367e+00 1.56951e+00  0.00000e+00 0.00000e+00 4.12476e+01 139.439 1.89756e+00 319.439 0.7553 
1 1 1 2  3  38 o 18 6.14728e+01 3.03623e+01 2.32673e+01 101.714 -2.64582e-01 1.27605e+00  0.00000e+00 0.00000e+00 4.22985e+01 101.714 1.90312e+01 101.714 0.5436 
1 1 1 2  3  39 o 18 5.92027e+01 2.95539e+01 4.04091e+00 270.355 1.45606e-03  -2.34881e-01 0.00000e+00 0.00000e+00 9.77403e+00 270.355 5.73313e+00 270.355 0.1166 
1 1 1 2  4  7  o 19 1.58330e+03 3.27893e+01 8.03815e+02 334.694 2.42429e+01  -1.14626e+01 0.00000e+00 0.00000e+00 1.34837e+03 334.694 5.44553e+02 334.694 0.9812 
1 1 1 2  4  8  o 9  6.99552e+02 1.89963e+01 5.47854e+02 299.024 3.37831e+00  -6.08854e+00 0.00000e+00 0.00000e+00 3.52118e+02 299.024 1.95736e+02 119.024 0.9251 
1 1 1 2  4  9  f 0  4.75425e+02 1.50061e+01 5.18738e+02 228.566 -3.33721e+00 -3.78074e+00 0.00000e+00 0.00000e+00 7.51070e+01 228.566 4.43631e+02 48.566  0.8944 
1 1 1 2  4  10 o 18 7.07675e+02 1.66552e+01 3.31323e+02 92.450  -2.83011e-01 6.61322e+00  0.00000e+00 0.00000e+00 5.83333e+02 92.450  2.52010e+02 92.450  0.9210 
1 1 1 2  4  11 o 3  1.56876e+02 1.56023e+01 5.34391e+01 325.537 1.69007e-01  -1.15994e-01 0.00000e+00 0.00000e+00 3.08745e+01 145.537 8.43136e+01 145.537 0.1020 
1 1 1 2  4  12 o 6  3.07664e+02 1.13563e+01 2.28649e+02 212.933 -2.58725e+00 -1.67586e+00 0.00000e+00 0.00000e+00 1.27550e+02 212.933 1.01099e+02 32.933  0.8159 
1 1 1 2  4  13 o 4  6.60065e+02 1.60733e+01 4.17550e+02 81.708  2.17878e+00  1.49493e+01  0.00000e+00 0.00000e+00 4.93238e+02 81.708  7.56877e+01 81.708  0.9663 
1 1 1 2  4  14 o 5  6.50775e+02 1.85930e+01 4.81302e+02 330.160 1.58540e+01  -9.09429e+00 0.00000e+00 0.00000e+00 4.28352e+02 330.160 5.29493e+01 150.160 0.9722 
1 1 1 2  4  15 o 1  9.55433e+02 2.48625e+01 5.79013e+02 61.635  1.94398e+01  3.60049e+01  0.00000e+00 0.00000e+00 7.87684e+02 61.635  2.08671e+02 61.635  0.9877 
1 1 1 2  4  16 o 18 5.60365e+02 1.71199e+01 2.74970e+02 119.887 -7.23004e+00 1.25801e+01  0.00000e+00 0.00000e+00 5.14242e+02 119.887 2.39272e+02 119.887 0.9649 
1 1 1 2  4  17 o 18 6.86388e+02 1.96617e+01 4.79912e+02 248.065 -1.16958e+01 -2.90437e+01 0.00000e+00 0.00000e+00 5.14060e+02 248.065 3.41488e+01 248.065 0.9839 
1 1 1 2  4  18 o 3  3.92918e+02 1.85175e+01 1.24160e+02 223.756 -3.89897e+00 -3.73319e+00 0.00000e+00 0.00000e+00 4.02014e+02 223.756 2.77854e+02 223.756 0.9019 
1 1 1 2  4  19 o 18 3.09657e+02 1.84177e+01 3.24837e+02 358.266 1.58821e+01  -4.80930e-01 0.00000e+00 0.00000e+00 1.24422e+02 358.266 2.00415e+02 178.266 0.9680 
1 1 1 2  4  20 o 12 7.62121e+01 2.88903e+01 1.04929e+02 94.808  -8.81994e-02 1.04866e+00  0.00000e+00 0.00000e+00 5.13309e+01 274.808 1.56260e+02 274.808 0.4646 
1 1 1 2  4  21 o 7  5.00058e+02 3.10013e+01 3.47346e+02 158.188 -3.05000e+01 1.22065e+01  0.00000e+00 0.00000e+00 4.05677e+02 158.188 5.83311e+01 158.188 0.9847 
1 1 1 2  4  22 o 4  2.72801e+02 2.09301e+01 2.21528e+02 17.283  1.19756e+01  3.72605e+00  0.00000e+00 0.00000e+00 1.83043e+02 17.283  3.84841e+01 197.283 0.9593 
1 1 1 2  4  23 o 1  8.34858e+01 3.12447e+01 8.77598e+01 184.018 -1.43203e+00 -1.00591e-01 0.00000e+00 0.00000e+00 1.20722e+01 4.018   9.98320e+01 4.018   0.5798 
1 1 1 2  4  24 o 13 4.84183e+02 3.45195e+01 2.47010e+02 218.311 -1.86078e+01 -1.47015e+01 0.00000e+00 0.00000e+00 5.02777e+02 218.311 2.55767e+02 218.311 0.9787 
1 1 1 2  4  25 o 1  4.62355e+02 3.57960e+01 2.63577e+02 308.613 1.19619e+01  -1.49773e+01 0.00000e+00 0.00000e+00 4.57512e+02 308.613 1.93935e+02 308.613 0.9736 
1 1 1 2  4  26 o 3  9.82539e+01 3.81234e+01 1.04901e+02 140.692 -1.42531e+00 1.16694e+00  0.00000e+00 0.00000e+00 1.93093e+00 140.692 1.02970e+02 320.692 0.6701 
1 1 1 2  4  27 o 1  9.89474e+01 3.83223e+01 3.98404e+01 200.996 -7.76518e-01 -2.98019e-01 0.00000e+00 0.00000e+00 2.25823e+01 200.996 1.72582e+01 20.996  0.3836 
1 1 1 2  4  28 o 19 2.01313e+02 3.29889e+01 4.51553e+01 306.784 1.46558e+00  -1.96021e+00 0.00000e+00 0.00000e+00 2.09688e+02 306.784 1.64533e+02 306.784 0.7592 
1 1 1 2  4  29 o 11 3.07982e+02 3.68728e+01 1.76366e+02 104.241 -3.83058e+00 1.50934e+01  0.00000e+00 0.00000e+00 3.27613e+02 104.241 1.51247e+02 104.241 0.9673 
1 1 1 2  4  30 o 19 1.13608e+02 3.37642e+01 5.33162e+01 20.245  2.16356e+00  7.97976e-01  0.00000e+00 0.00000e+00 9.14498e+01 20.245  3.81336e+01 20.245  0.7421 
1 1 1 2  4  31 o 17 9.93770e+01 3.37949e+01 1.18718e+02 236.003 -2.75591e+00 -4.08632e+00 0.00000e+00 0.00000e+00 3.57922e+01 236.003 8.29259e+01 56.003  0.8917 
1 1 1 2  4  32 o 10 1.52154e+02 3.18644e+01 1.05707e+02 154.436 -6.55492e+00 3.13551e+00  0.00000e+00 0.00000e+00 1.44537e+02 154.436 3.88293e+01 154.436 0.9284 
1 1 1 2  4  33 o 6  7.55929e+01 3.18600e+01 6.38385e+01 314.325 1.86868e+00  -1.91322e+00 0.00000e+00 0.00000e+00 4.27103e+01 314.325 2.11282e+01 134.325 0.7827 
1 1 1 2  4  34 o 17 7.30111e+01 3.25646e+01 9.08855e+01 302.867 2.19822e+00  -3.40217e+00 0.00000e+00 0.00000e+00 2.48407e+01 302.867 6.60448e+01 122.867 0.8654 
1 1 1 2  4  35 o 10 5.79788e+01 2.81009e+01 4.28484e+01 93.452  -1.28625e-01 2.13226e+00  0.00000e+00 0.00000e+00 3.48313e+01 93.452  8.01709e+00 273.452 0.7189 
1 1 1 2  4  36 o 4  8.42530e+01 3.68641e+01 2.66598e+01 103.717 -3.18462e-01 1.30468e+00  0.00000e+00 0.00000e+00 6.20361e+01 103.717 3.53763e+01 103.717 0.5549 
1 1 1 2  4  37 o 4  6.22702e+01 3.03153e+01 1.88929e+01 99.849  -1.76673e-01 1.01765e+00  0.00000e+00 0.00000e+00 3.62131e+01 99.849  1.73202e+01 99.849  0.4579 
1 1 1 2  4  38 o 7  5.99210e+01 2.95575e+01 5.14011e+00 22.339  2.70402e-01  1.11112e-01  0.00000e+00 0.00000e+00 1.19281e+01 22.339  6.78798e+00 22.339  0.1446 
1 1 1 2  4  39 o 5  5.95673e+01 2.98540e+01 2.98755e+01 288.447 5.41599e-01  -1.62364e+00 0.00000e+00 0.00000e+00 4.71879e+01 288.447 1.73124e+01 288.447 0.6443 
1 1 1 2  5  6  o 17 7.44001e+02 1.71396e+01 4.79583e+02 244.325 -3.40594e+00 -7.08487e+00 0.00000e+00 0.00000e+00 4.84623e+02 244.325 5.04065e+00 244.325 0.9340 
1 1 1 2  5  7  o 19 5.41097e+02 1.38643e+01 7.95974e+02 280.731 1.53246e+00  -8.08659e+00 0.00000e+00 0.00000e+00 9.01031e+01 100.731 8.86077e+02 100.731 0.9371 
1 1 1 2  5  8  o 2  1.44659e+03 3.47731e+01 1.23084e+03 61.660  1.80523e+01  3.34715e+01  0.00000e+00 0.00000e+00 7.63750e+02 61.660  4.67092e+02 241.660 0.9868 
1 1 1 2  5  9  o 15 8.51130e+02 1.91158e+01 3.06316e+02 159.891 -7.35882e+00 2.69418e+00  0.00000e+00 0.00000e+00 8.09058e+02 159.891 5.02742e+02 159.891 0.9338 
1 1 1 2  5  10 o 10 1.84973e+03 3.80236e+01 1.29523e+03 217.754 -4.85174e+01 -3.75714e+01 0.00000e+00 0.00000e+00 1.29167e+03 217.754 3.56144e+00 37.754  0.9918 
1 1 1 2  5  11 o 14 5.60215e+02 1.65468e+01 4.20018e+02 100.717 -1.10750e+00 5.85162e+00  0.00000e+00 0.00000e+00 3.03964e+02 100.717 1.16054e+02 280.717 0.9117 
1 1 1 2  5  12 o 16 9.24078e+02 2.91580e+01 6.67468e+02 44.543  1.79448e+01  1.76608e+01  0.00000e+00 0.00000e+00 6.23644e+02 44.543  4.38245e+01 224.543 0.9799 
1 1 1 2  5  13 o 18 1.08788e+03 2.36119e+01 7.08384e+02 335.025 3.62827e+01  -1.68993e+01 0.00000e+00 0.00000e+00 8.32892e+02 335.025 1.24507e+02 335.025 0.9874 
1 1 1 2  5  14 o 2  5.39962e+02 1.43904e+01 2.10407e+02 347.454 7.63583e+00  -1.69923e+00 0.00000e+00 0.00000e+00 5.17919e+02 347.454 3.07512e+02 347.454 0.9337 
1 1 1 2  5  15 f 0  5.14633e+02 1.97629e+01 2.83540e+02 195.122 -1.02164e+01 -2.76090e+00 0.00000e+00 0.00000e+00 4.29052e+02 195.122 1.45513e+02 195.122 0.9515 
1 1 1 2  5  16 o 10 4.58271e+02 1.55314e+01 3.70418e+02 286.485 4.76031e+00  -1.60862e+01 0.00000e+00 0.00000e+00 2.81350e+02 286.485 8.90680e+01 106.485 0.9697 
1 1 1 2  5  17 f 0  1.61082e+02 1.55319e+01 8.17464e+01 156.825 -1.52352e+00 6.52189e-01  0.00000e+00 0.00000e+00 6.89703e+01 156.825 1.27761e+01 336.825 0.6327 
1 1 1 2  5  18 o 1  4.19436e+02 2.66577e+01 3.98677e+02 129.870 -1.12756e+01 1.35000e+01  0.00000e+00 0.00000e+00 2.09068e+02 129.870 1.89610e+02 309.870 0.9711 
1 1 1 2  5  19 o 7  2.37589e+02 1.90302e+01 1.08197e+02 252.787 -1.17636e+00 -3.79725e+00 0.00000e+00 0.00000e+00 2.00436e+02 252.787 9.22389e+01 252.787 0.8626 
1 1 1 2  5  20 o 9  3.58274e+02 2.00213e+01 2.20251e+02 245.191 -4.47979e+00 -9.69107e+00 0.00000e+00 0.00000e+00 2.98459e+02 245.191 7.82078e+01 245.191 0.9519 
1 1 1 2  5  21 o 10 2.43649e+02 2.08547e+01 1.20429e+02 35.835  4.80063e+00  3.46678e+00  0.00000e+00 0.00000e+00 2.20706e+02 35.835  1.00277e+02 35.835  0.9111 
1 1 1 2  5  22 o 4  1.89851e+02 2.41968e+01 1.09294e+02 10.117  4.19849e+00  7.49171e-01  0.00000e+00 0.00000e+00 1.48168e+02 10.117  3.88742e+01 10.117  0.8730 
1 1 1 2  5  23 o 19 1.65439e+02 2.70931e+01 8.97053e+01 118.690 -1.67865e+00 3.06737e+00  0.00000e+00 0.00000e+00 1.28880e+02 118.690 3.91742e+01 118.690 0.8409 
1 1 1 2  5  24 o 12 2.88617e+02 3.58340e+01 1.32190e+02 19.202  6.97633e+00  2.42974e+00  0.00000e+00 0.00000e+00 2.94386e+02 19.202  1.62195e+02 19.202  0.9296 
1 1 1 2  5  25 o 4  3.60017e+02 2.45892e+01 1.18210e+02 240.227 -3.95844e+00 -6.91931e+00 0.00000e+00 0.00000e+00 4.23627e+02 240.227 3.05417e+02 240.227 0.9350 
1 1 1 2  5  26 o 11 2.15318e+02 3.22648e+01 1.33347e+02 117.475 -2.49872e+00 4.80514e+00  0.00000e+00 0.00000e+00 1.83398e+02 117.475 5.00514e+01 117.475 0.9022 
1 1 1 2  5  27 o 18 1.28786e+02 4.03325e+01 1.98338e+01 316.156 3.75834e-01  -3.60963e-01 0.00000e+00 0.00000e+00 3.38135e+01 316.156 1.39797e+01 316.156 0.2521 
1 1 1 2  5  28 o 14 2.99017e+02 2.69892e+01 2.23065e+02 293.677 8.87427e+00  -2.02386e+01 0.00000e+00 0.00000e+00 2.66475e+02 293.677 4.34094e+01 293.677 0.9771 
1 1 1 2  5  29 o 4  8.20440e+01 3.33133e+01 5.22874e+01 24.128  1.22710e+00  5.49638e-01  0.00000e+00 0.00000e+00 2.51524e+01 24.128  2.71349e+01 204.128 0.5553 
1 1 1 2  5  30 o 1  2.53851e+02 2.41322e+01 1.75430e+02 133.556 -1.40372e+01 1.47634e+01  0.00000e+00 0.00000e+00 2.51639e+02 133.556 7.62090e+01 133.556 0.9751 
1 1 1 2  5  31 o 11 4.43717e+01 2.16705e+01 3.65253e+01 53.974  5.35554e-01  7.36425e-01  0.00000e+00 0.00000e+00 4.35627e+00 233.974 4.08815e+01 233.974 0.4138 
1 1 1 2  5  32 o 10 8.47278e+01 3.56651e+01 1.81589e+01 255.617 -1.55936e-01 -6.08066e-01 0.00000e+00 0.00000e+00 2.69909e+01 255.617 8.83204e+00 255.617 0.2994 
1 1 1 2  5  33 o 17 6.14912e+01 2.82709e+01 1.87287e+01 251.131 -2.39492e-01 -7.00719e-01 0.00000e+00 0.00000e+00 1.98807e+01 251.131 1.15202e+00 251.131 0.3470 
1 1 1 2  5  34 o 1  7.32910e+01 3.22639e+01 3.42676e+01 342.127 1.53221e+00  -4.94093e-01 0.00000e+00 0.00000e+00 4.96468e+01 342.127 1.53792e+01 342.127 0.6222 
1 1 1 2  5  35 o 11 8.38915e+01 3.56060e+01 4.93532e+01 274.718 2.10871e-01  -2.55485e+00 0.00000e+00 0.00000e+00 7.18834e+01 274.718 2.25302e+01 274.718 0.7717 
1 1 1 2  5  36 o 17 6.40822e+01 3.20025e+01 2.73712e+01 151.451 -1.13273e+00 6.16278e-01  0.00000e+00 0.00000e+00 3.85557e+01 151.451 1.11845e+01 151.451 0.5396 
1 1 1 2  5  37 f 0  6.83406e+01 3.25396e+01 4.31755e+01 102.040 -4.77031e-01 2.23661e+00  0.00000e+00 0.00000e+00 5.49873e+01 102.040 1.18118e+01 102.040 0.7397 
1 1 1 2  5  38 o 3  6.06039e+01 3.00066e+01 3.81631e+01 315.360 1.50710e+00  -1.48828e+00 0.00000e+00 0.00000e+00 4.77372e+01 315.360 9.57415e+00 315.360 0.7162 
1 1 1 2  5  39 o 6  5.33484e+01 2.69703e+01 9.55494e+00 322.407 4.66160e-01  -3.58900e-01 0.00000e+00 0.00000e+00 2.08137e+01 322.407 1.12588e+01 322.407 0.2821 
1 1 1 2  6  5  o 17 1.19474e+03 2.53091e+01 3.65219e+02 152.328 -8.32553e+00 4.36574e+00  0.00000e+00 0.00000e+00 1.20651e+03 152.328 8.41291e+02 152.328 0.9452 
1 1 1 2  6  6  o 19 1.64759e+03 3.40467e+01 1.12854e+03 204.776 -3.20403e+01 -1.47887e+01 0.00000e+00 0.00000e+00 1.13810e+03 204.776 9.55772e+00 204.776 0.9857 
1 1 1 2  6  7  f 0  5.36447e+02 1.38356e+01 7.02787e+02 311.431 5.53789e+00  -6.27455e+00 0.00000e+00 0.00000e+00 1.94491e+00 311.431 7.00842e+02 131.431 0.9382 
1 1 1 2  6  8  o 11 1.06150e+03 2.63706e+01 6.68089e+02 255.139 -5.62465e+00 -2.11964e+01 0.00000e+00 0.00000e+00 7.89462e+02 255.139 1.21373e+02 255.139 0.9769 
1 1 1 2  6  9  o 4  1.88707e+03 3.87630e+01 1.21719e+03 88.330  1.78860e+00  6.13570e+01  0.00000e+00 0.00000e+00 1.42477e+03 88.330  2.07578e+02 88.330  0.9918 
1 1 1 2  6  10 o 1  7.80065e+02 1.79632e+01 4.50504e+02 50.018  6.00555e+00  7.16160e+00  0.00000e+00 0.00000e+00 5.94928e+02 50.018  1.44424e+02 50.018  0.9449 
1 1 1 2  6  11 o 18 7.58509e+02 2.02835e+01 4.63737e+02 274.232 1.13265e+00  -1.53068e+01 0.00000e+00 0.00000e+00 5.81965e+02 274.232 1.18228e+02 274.232 0.9669 
1 1 1 2  6  12 o 18 1.10179e+03 2.76691e+01 7.33225e+02 310.056 2.83123e+01  -3.36739e+01 0.00000e+00 0.00000e+00 8.28875e+02 310.056 9.56507e+01 310.056 0.9886 
1 1 1 2  6  13 o 19 2.83954e+02 1.15124e+01 2.29375e+02 253.318 -1.12339e+00 -3.74884e+00 0.00000e+00 0.00000e+00 1.23115e+02 253.318 1.06260e+02 73.318  0.8601 
1 1 1 2  6  14 f 0  9.03402e+02 2.04331e+01 4.88806e+02 136.479 -2.09167e+01 1.98641e+01  0.00000e+00 0.00000e+00 8.00982e+02 136.479 3.12176e+02 136.479 0.9825 
1 1 1 2  6  15 o 10 2.67028e+02 1.62052e+01 1.84405e+02 290.325 1.66068e+00  -4.48347e+00 0.00000e+00 0.00000e+00 1.62706e+02 290.325 2.16989e+01 110.325 0.8880 
1 1 1 2  6  16 o 6  5.31343e+02 1.67346e+01 4.16743e+02 269.102 -3.31247e-01 -2.11226e+01 0.00000e+00 0.00000e+00 3.48347e+02 269.102 6.83956e+01 89.102  0.9760 
1 1 1 2  6  17 o 4  1.43715e+02 1.64492e+01 1.60554e+02 157.722 -2.60470e+00 1.06711e+00  0.00000e+00 0.00000e+00 9.47469e+00 157.722 1.51079e+02 337.722 0.7953 
1 1 1 2  6  18 o 2  4.25652e+02 1.90355e+01 4.08718e+02 91.575  -6.46519e-01 2.35203e+01  0.00000e+00 0.00000e+00 2.16368e+02 91.575  1.92350e+02 271.574 0.9785 
1 1 1 2  6  19 o 6  3.26261e+02 1.90661e+01 2.53573e+02 132.439 -9.55563e+00 1.04503e+01  0.00000e+00 0.00000e+00 2.22880e+02 132.439 3.06935e+01 312.439 0.9640 
1 1 1 2  6  20 o 16 1.65929e+02 3.32918e+01 1.04909e+02 116.928 -1.21778e+00 2.39746e+00  0.00000e+00 0.00000e+00 9.41239e+01 116.928 1.07855e+01 296.928 0.7841 
1 1 1 2  6  21 o 1  3.91286e+02 2.90644e+01 2.41964e+02 352.474 1.71056e+01  -2.25978e+00 0.00000e+00 0.00000e+00 3.45059e+02 352.474 1.03095e+02 352.474 0.9706 
1 1 1 2  6  22 o 5  7.66188e+01 2.97716e+01 7.46086e+01 208.849 -9.67917e-01 -5.33198e-01 0.00000e+00 0.00000e+00 1.68567e+01 28.849  9.14654e+01 28.849  0.4824 
1 1 1 2  6  23 o 5  1.15525e+02 3.36041e+01 3.39225e+01 249.134 -3.02677e-01 -7.94057e-01 0.00000e+00 0.00000e+00 3.74004e+01 249.134 3.47788e+00 249.134 0.3906 
1 1 1 2  6  24 o 1  2.57475e+02 2.60875e+01 1.57857e+02 327.293 7.72893e+00  -4.96325e+00 0.00000e+00 0.00000e+00 2.30804e+02 327.293 7.29477e+01 327.293 0.9439 
1 1 1 2  6  25 o 5  1.21375e+02 4.49625e+01 1.51515e+02 211.413 -2.39880e+00 -1.46497e+00 0.00000e+00 0.00000e+00 4.71198e+00 211.413 1.46803e+02 31.413  0.7950 
1 1 1 2  6  26 o 17 2.47618e+02 2.94353e+01 1.43537e+02 114.913 -3.02231e+00 6.50700e+00  0.00000e+00 0.00000e+00 2.33110e+02 114.913 8.95730e+01 114.913 0.9274 
1 1 1 2  6  27 o 17 9.44988e+01 3.76473e+01 6.53980e+01 12.385  1.42906e+00  3.13795e-01  0.00000e+00 0.00000e+00 2.67845e+01 12.385  3.86135e+01 192.385 0.5869 
1 1 1 2  6  28 o 13 2.40835e+02 3.01807e+01 9.70276e+01 123.661 -3.82791e+00 5.74817e+00  0.00000e+00 0.00000e+00 2.78212e+02 123.661 1.81184e+02 123.661 0.9245 
1 1 1 2  6  29 o 3  9.89350e+01 3.45853e+01 5.52515e+01 324.301 1.35141e+00  -9.71045e-01 0.00000e+00 0.00000e+00 5.20209e+01 324.301 3.23057e+00 144.301 0.6342 
1 1 1 2  6  30 o 7  8.85932e+01 3.26491e+01 5.18219e+01 297.673 8.14326e-01  -1.55287e+00 0.00000e+00 0.00000e+00 4.85482e+01 297.673 3.27376e+00 117.673 0.6528 
1 1 1 2  6  31 o 4  1.08868e+02 3.33281e+01 8.97990e+01 83.838  4.82441e-01  4.46887e+00  0.00000e+00 0.00000e+00 7.90704e+01 83.838  1.07286e+01 263.838 0.8802 
1 1 1 2  6  32 o 17 1.10910e+02 4.06037e+01 1.03384e+02 299.036 2.04840e+00  -3.68999e+00 0.00000e+00 0.00000e+00 6.96833e+01 299.036 3.37004e+01 119.036 0.8715 
1 1 1 2  6  33 o 8  9.39275e+01 3.50462e+01 3.69974e+01 280.336 3.19274e-01  -1.75062e+00 0.00000e+00 0.00000e+00 7.54989e+01 280.336 3.85016e+01 280.336 0.6580 
1 1 1 2  6  34 o 15 7.29383e+01 3.28044e+01 8.56082e+01 150.802 -3.50345e+00 1.95781e+00  0.00000e+00 0.00000e+00 3.10525e+01 150.802 5.45557e+01 330.802 0.8640 
1 1 1 2  6  35 o 4  6.31326e+01 2.99662e+01 7.70169e+00 132.326 -2.53041e-01 2.77830e-01  0.00000e+00 0.00000e+00 1.42572e+01 132.326 6.55550e+00 132.326 0.1847 
1 1 1 2  6  36 o 18 7.40863e+01 3.59951e+01 1.26394e+01 130.387 -3.78862e-01 4.45367e-01  0.00000e+00 0.00000e+00 2.72167e+01 130.387 1.45773e+01 130.387 0.2805 
1 1 1 2  6  37 o 12 6.81994e+01 3.26571e+01 4.13659e+01 285.913 5.91485e-01  -2.07463e+00 0.00000e+00 0.00000e+00 5.48119e+01 285.913 1.34460e+01 285.913 0.7220 
1 1 1 2  6  38 o 15 5.20279e+01 2.62643e+01 2.69946e+01 328.999 1.35602e+00  -8.14814e-01 0.00000e+00 0.00000e+00 3.67769e+01 328.999 9.78229e+00 328.999 0.6158 
1 1 1 2  6  39 o 13 5.93844e+01 2.96716e+01 2.72860e+01 119.340 -7.73761e-01 1.37658e+00  0.00000e+00 0.00000e+00 4.68498e+01 119.340 1.95638e+01 119.340 0.6151 
1 1 1 2  7  2  o 5  7.57868e+02 1.99915e+01 1.40083e+02 44.359  1.35237e+00  1.32243e+00  0.00000e+00 0.00000e+00 5.77423e+02 44.359  4.37340e+02 44.359  0.6791 
1 1 1 2  7  3  o 2  1.12724e+03 2.77297e+01 8.55602e+02 345.462 2.03797e+01  -5.28490e+00 0.00000e+00 0.00000e+00 6.79997e+02 345.462 1.75606e+02 165.462 0.9760 
1 1 1 2  7  4  o 19 9.92029e+02 2.14766e+01 6.67263e+02 285.524 3.58932e+00  -1.29219e+01 0.00000e+00 0.00000e+00 6.67117e+02 285.524 1.45457e-01 105.524 0.9620 
1 1 1 2  7  5  o 19 7.26889e+02 1.68487e+01 5.22173e+02 8.856   6.94117e+00  1.08149e+00  0.00000e+00 0.00000e+00 4.20958e+02 8.856   1.01214e+02 188.856 0.9258 
1 1 1 2  7  6  f 0  1.23273e+03 2.59632e+01 8.30271e+02 110.678 -7.84974e+00 2.07984e+01  0.00000e+00 0.00000e+00 8.62733e+02 110.678 3.24627e+01 110.678 0.9772 
1 1 1 2  7  7  o 15 6.30471e+02 1.76722e+01 9.19478e+01 54.458  1.05427e+00  1.47576e+00  0.00000e+00 0.00000e+00 4.98911e+02 54.458  4.06963e+02 54.458  0.6647 
1 1 1 2  7  8  o 10 8.09383e+02 2.14316e+01 2.28528e+02 125.293 -2.98797e+00 4.22113e+00  0.00000e+00 0.00000e+00 7.99263e+02 125.293 5.70735e+02 125.293 0.8972 
1 1 1 2  7  9  o 5  1.12804e+03 2.41241e+01 6.16144e+02 246.151 -6.96772e+00 -1.57615e+01 0.00000e+00 0.00000e+00 9.40011e+02 246.151 3.23868e+02 246.151 0.9705 
1 1 1 2  7  10 o 12 8.23238e+02 2.15246e+01 7.12270e+02 347.069 1.39824e+01  -3.21024e+00 0.00000e+00 0.00000e+00 4.21750e+02 347.069 2.90520e+02 167.069 0.9645 
1 1 1 2  7  11 o 18 4.00146e+02 1.22252e+01 5.09140e+02 70.781  2.74887e+00  7.88539e+00  0.00000e+00 0.00000e+00 2.98078e+01 70.781  4.79332e+02 250.781 0.9381 
1 1 1 2  7  12 f 0  2.49098e+02 1.11479e+01 1.82318e+02 258.848 -5.51565e-01 -2.79796e+00 0.00000e+00 0.00000e+00 1.04898e+02 258.848 7.74206e+01 78.848  0.7984 
1 1 1 2  7  13 f 0  3.77747e+02 1.43379e+01 4.19240e+02 207.662 -9.69075e+00 -5.07958e+00 0.00000e+00 0.00000e+00 1.04014e+02 207.662 3.15227e+02 27.662  0.9531 
1 1 1 2  7  14 o 12 8.44740e+02 2.22690e+01 6.62009e+02 215.284 -3.32502e+01 -2.35288e+01 0.00000e+00 0.00000e+00 5.58764e+02 215.284 1.03245e+02 35.284  0.9876 
1 1 1 2  7  15 o 12 2.10595e+02 1.62695e+01 1.76562e+02 309.172 2.35250e+00  -2.88732e+00 0.00000e+00 0.00000e+00 8.79118e+01 309.172 8.86503e+01 129.172 0.8520 
1 1 1 2  7  16 o 8  1.02168e+03 2.64860e+01 5.77006e+02 92.845  -2.70674e+00 5.44652e+01  0.00000e+00 0.00000e+00 9.26751e+02 92.845  3.49744e+02 92.845  0.9908 
1 1 1 2  7  17 o 17 1.48793e+02 1.62067e+01 1.37915e+02 55.624  1.29151e+00  1.88786e+00  0.00000e+00 0.00000e+00 2.69624e+01 55.624  1.10953e+02 235.624 0.7397 
1 1 1 2  7  18 o 14 5.58587e+02 2.16388e+01 3.60562e+02 314.337 2.20124e+01  -2.25278e+01 0.00000e+00 0.00000e+00 4.70076e+02 314.337 1.09514e+02 314.337 0.9840 
1 1 1 2  7  19 o 5  2.00715e+02 2.07828e+01 1.48376e+02 308.158 2.54549e+00  -3.23959e+00 0.00000e+00 0.00000e+00 1.17373e+02 308.158 3.10028e+01 128.158 0.8680 
1 1 1 2  7  20 o 18 3.87174e+02 2.81207e+01 1.90805e+02 85.145  1.22529e+00  1.44266e+01  0.00000e+00 0.00000e+00 3.84642e+02 85.145  1.93837e+02 85.145  0.9648 
1 1 1 2  7  21 o 9  9.75984e+01 3.05734e+01 6.35877e+01 150.641 -1.05273e+00 5.92198e-01  0.00000e+00 0.00000e+00 1.46777e+01 150.641 4.89100e+01 330.641 0.5152 
1 1 1 2  7  22 o 15 1.03800e+02 3.12960e+01 1.24196e+02 294.611 1.06625e+00  -2.32767e+00 0.00000e+00 0.00000e+00 1.79123e+00 294.611 1.22405e+02 114.611 0.7714 
1 1 1 2  7  23 o 10 1.72859e+02 3.07531e+01 1.10884e+02 103.272 -9.27565e-01 3.93250e+00  0.00000e+00 0.00000e+00 1.27083e+02 103.272 1.61985e+01 103.272 0.8651 
1 1 1 2  7  24 o 3  2.01253e+02 4.27562e+01 1.12149e+02 201.061 -3.14581e+00 -1.21138e+00 0.00000e+00 0.00000e+00 1.58168e+02 201.061 4.60193e+01 201.061 0.8341 
1 1 1 2  7  25 o 15 2.17042e+02 4.51129e+01 1.97642e+02 359.837 7.60712e+00  -2.16423e-02 0.00000e+00 0.00000e+00 1.32069e+02 359.837 6.55735e+01 179.837 0.9317 
1 1 1 2  7  26 o 13 1.10542e+02 3.98265e+01 6.32864e+01 63.983  5.55689e-01  1.13845e+00  0.00000e+00 0.00000e+00 3.40167e+01 63.983  2.92697e+01 243.983 0.5330 
1 1 1 2  7  27 o 7  2.07950e+02 3.09240e+01 8.44508e+01 258.562 -8.98367e-01 -4.44025e+00 0.00000e+00 0.00000e+00 2.22256e+02 258.562 1.37805e+02 258.562 0.8812 
1 1 1 2  7  28 o 15 9.96494e+01 3.77583e+01 5.23454e+01 98.019  -1.89084e-01 1.34209e+00  0.00000e+00 0.00000e+00 4.20692e+01 98.019  1.02761e+01 278.019 0.5583 
1 1 1 2  7  29 o 4  6.77520e+01 2.91317e+01 2.20771e+01 147.028 -5.04017e-01 3.26967e-01  0.00000e+00 0.00000e+00 1.14712e+01 147.028 1.06058e+01 327.028 0.2876 
1 1 1 2  7  30 o 13 1.87012e+02 2.64629e+01 1.08459e+02 324.410 6.97400e+00  -4.99113e+00 0.00000e+00 0.00000e+00 1.98650e+02 324.410 9.01913e+01 324.410 0.9398 
1 1 1 2  7  31 o 5  1.10904e+02 3.93882e+01 7.35589e+01 238.696 -1.64316e+00 -2.70211e+00 0.00000e+00 0.00000e+00 8.80807e+01 238.696 1.45218e+01 238.696 0.8213 
1 1 1 2  7  32 f 0  7.43232e+01 3.13025e+01 2.50053e+01 250.680 -3.32077e-01 -9.47193e-01 0.00000e+00 0.00000e+00 3.49888e+01 250.680 9.98346e+00 250.680 0.4477 
1 1 1 2  7  33 o 14 8.76515e+01 3.49315e+01 5.30904e+01 28.433  2.17360e+00  1.17687e+00  0.00000e+00 0.00000e+00 6.93038e+01 28.433  1.62134e+01 28.433  0.7619 
1 1 1 2  7  34 o 6  5.39886e+01 2.63146e+01 2.38526e+01 245.748 -4.38208e-01 -9.72716e-01 0.00000e+00 0.00000e+00 2.34039e+01 245.748 4.48767e-01 65.748  0.4696 
1 1 1 2  7  35 o 14 7.39871e+01 3.36117e+01 5.93511e+01 145.223 -2.42254e+00 1.68228e+00  0.00000e+00 0.00000e+00 5.37814e+01 145.223 5.56973e+00 325.223 0.8062 
1 1 1 2  7  36 o 3  6.48439e+01 3.10707e+01 5.29112e+01 118.788 -1.33909e+00 2.43697e+00  0.00000e+00 0.00000e+00 4.63029e+01 118.788 6.60827e+00 298.788 0.7924 
1 1 1 2  7  37 o 13 5.65519e+01 2.87222e+01 3.16501e+01 352.375 1.64590e+00  -2.20332e-01 0.00000e+00 0.00000e+00 3.88028e+01 352.375 7.15276e+00 352.375 0.6334 
1 1 1 2  7  38 o 11 5.23198e+01 2.64599e+01 6.72517e+00 321.811 3.24723e-01  -2.55432e-01 0.00000e+00 0.00000e+00 1.44890e+01 321.811 7.76378e+00 321.811 0.2023 
1 1 1 2  7  39 o 3  5.19865e+01 2.63333e+01 1.84150e+01 106.711 -3.35251e-01 1.11669e+00  0.00000e+00 0.00000e+00 3.49311e+01 106.711 1.65162e+01 106.711 0.5021 
1 1 1 2  8  0  o 5  6.54668e+02 2.20492e+01 7.74651e+01 180.000 -5.10097e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.54507e+02 180.000 2.77042e+02 180.000 0.4700 
1 1 1 2  8  1  o 12 1.37071e+03 2.85273e+01 5.58576e+02 130.479 -9.81445e+00 1.14997e+01  0.00000e+00 0.00000e+00 1.30138e+03 130.479 7.42808e+02 130.479 0.9663 
1 1 1 2  8  2  o 14 1.43175e+03 2.99092e+01 7.57080e+02 330.104 1.79695e+01  -1.03311e+01 0.00000e+00 0.00000e+00 1.20574e+03 330.104 4.48664e+02 330.104 0.9756 
1 1 1 2  8  3  o 18 1.01319e+03 3.10948e+01 4.97380e+02 169.844 -9.02015e+00 1.61585e+00  0.00000e+00 0.00000e+00 8.48014e+02 169.844 3.50634e+02 169.844 0.9437 
1 1 1 2  8  4  o 9  6.74855e+02 3.18279e+01 3.60985e+02 161.941 -5.14388e+00 1.67717e+00  0.00000e+00 0.00000e+00 4.97112e+02 161.941 1.36127e+02 161.941 0.9021 
1 1 1 2  8  5  o 2  1.08535e+03 2.32128e+01 5.56076e+02 283.686 2.95749e+00  -1.21447e+01 0.00000e+00 0.00000e+00 9.14540e+02 283.686 3.58465e+02 283.686 0.9591 
1 1 1 2  8  6  o 11 8.58806e+02 1.91881e+01 5.44702e+02 236.772 -7.78078e+00 -1.18775e+01 0.00000e+00 0.00000e+00 6.28263e+02 236.772 8.35617e+01 236.772 0.9641 
1 1 1 2  8  7  o 10 1.72573e+03 4.10368e+01 1.14267e+03 40.565  4.00833e+01  3.43129e+01  0.00000e+00 0.00000e+00 1.28675e+03 40.565  1.44085e+02 40.565  0.9905 
1 1 1 2  8  8  f 0  5.71344e+02 1.66672e+01 3.99098e+02 260.671 -9.23138e-01 -5.61964e+00 0.00000e+00 0.00000e+00 3.40500e+02 260.671 5.85985e+01 80.671  0.9073 
1 1 1 2  8  9  o 1  7.83855e+02 1.79245e+01 5.48447e+02 223.882 -7.69834e+00 -7.40349e+00 0.00000e+00 0.00000e+00 5.20723e+02 223.882 2.77244e+01 43.882  0.9520 
1 1 1 2  8  10 o 10 4.95422e+02 1.53717e+01 4.95980e+02 317.712 7.59186e+00  -6.90521e+00 0.00000e+00 0.00000e+00 1.81579e+02 317.712 3.14400e+02 137.712 0.9500 
1 1 1 2  8  11 o 18 1.65835e+02 1.12438e+01 2.24943e+02 18.699  1.90752e+00  6.45618e-01  0.00000e+00 0.00000e+00 5.69223e+01 198.699 2.81865e+02 198.699 0.7000 
1 1 1 2  8  12 o 4  7.03079e+02 1.68290e+01 4.00411e+02 126.032 -9.67662e+00 1.33032e+01  0.00000e+00 0.00000e+00 5.91486e+02 126.032 1.91075e+02 126.032 0.9691 
1 1 1 2  8  13 o 10 7.89509e+02 2.13914e+01 6.32812e+02 209.278 -3.29514e+01 -1.84751e+01 0.00000e+00 0.00000e+00 5.08376e+02 209.278 1.24436e+02 29.278  0.9867 
1 1 1 2  8  14 o 4  1.92022e+02 1.33462e+01 1.05191e+02 92.184  -7.49426e-02 1.96522e+00  0.00000e+00 0.00000e+00 9.08640e+01 92.184  1.43274e+01 272.184 0.6922 
1 1 1 2  8  15 o 18 4.33877e+02 1.51765e+01 3.91704e+02 52.825  1.02137e+01  1.34682e+01  0.00000e+00 0.00000e+00 2.33579e+02 52.825  1.58125e+02 232.825 0.9700 
1 1 1 2  8  16 o 7  3.08239e+02 1.71103e+01 2.67370e+02 32.586  8.52379e+00  5.44824e+00  0.00000e+00 0.00000e+00 1.70760e+02 32.586  9.66095e+01 212.586 0.9492 
1 1 1 2  8  17 o 8  3.47385e+02 1.49080e+01 1.52177e+02 323.323 5.88917e+00  -4.38595e+00 0.00000e+00 0.00000e+00 3.35213e+02 323.323 1.83037e+02 323.323 0.9292 
1 1 1 2  8  18 o 8  5.32110e+02 2.13655e+01 1.92390e+02 203.028 -1.61723e+01 -6.87411e+00 0.00000e+00 0.00000e+00 5.94791e+02 203.028 4.02401e+02 203.028 0.9711 
1 1 1 2  8  19 o 5  2.86006e+02 2.64919e+01 1.49345e+02 311.681 4.68644e+00  -5.26350e+00 0.00000e+00 0.00000e+00 2.57911e+02 311.681 1.08566e+02 311.681 0.9261 
1 1 1 2  8  20 o 3  2.06980e+02 2.20006e+01 1.06889e+02 25.841  3.89610e+00  1.88688e+00  0.00000e+00 0.00000e+00 1.74366e+02 25.841  6.74768e+01 25.841  0.8751 
1 1 1 2  8  21 o 12 8.97850e+01 3.09167e+01 7.35456e+01 180.326 -1.28686e+00 -7.31870e-03 0.00000e+00 0.00000e+00 2.36511e+00 180.326 7.11805e+01 0.326   0.5389 
1 1 1 2  8  22 o 14 7.32255e+01 2.97152e+01 5.90834e+01 118.701 -4.79505e-01 8.75812e-01  0.00000e+00 0.00000e+00 7.30148e+00 298.701 6.63849e+01 298.701 0.4459 
1 1 1 2  8  23 o 11 9.96830e+01 3.62796e+01 1.02814e+02 294.857 8.36521e-01  -1.80564e+00 0.00000e+00 0.00000e+00 8.50293e+00 294.857 9.43111e+01 114.857 0.6961 
1 1 1 2  8  24 o 5  1.80708e+02 3.21995e+01 8.71610e+01 180.331 -2.79941e+00 -1.61889e-02 0.00000e+00 0.00000e+00 1.45751e+02 180.331 5.85903e+01 180.331 0.7940 
1 1 1 2  8  25 o 16 2.80708e+02 3.92322e+01 2.46023e+02 74.270  3.31439e+00  1.17680e+01  0.00000e+00 0.00000e+00 1.96027e+02 74.270  4.99960e+01 254.270 0.9582 
1 1 1 2  8  26 o 15 3.54199e+02 2.59303e+01 1.72053e+02 314.248 1.04783e+01  -1.07571e+01 0.00000e+00 0.00000e+00 3.97619e+02 314.248 2.25565e+02 314.248 0.9661 
1 1 1 2  8  27 o 17 1.69499e+02 4.76436e+01 7.85050e+01 336.997 2.61173e+00  -1.10876e+00 0.00000e+00 0.00000e+00 1.49472e+02 336.997 7.09666e+01 336.997 0.7972 
1 1 1 2  8  28 o 6  1.31504e+02 3.70594e+01 7.04469e+01 115.095 -1.12811e+00 2.40878e+00  0.00000e+00 0.00000e+00 1.05324e+02 115.095 3.48775e+01 115.095 0.7813 
1 1 1 2  8  29 o 4  1.86912e+02 2.65556e+01 1.18523e+02 231.402 -6.17906e+00 -7.74085e+00 0.00000e+00 0.00000e+00 1.89023e+02 231.402 7.05004e+01 231.402 0.9481 
1 1 1 2  8  30 o 7  1.02603e+02 3.25890e+01 6.64416e+01 172.673 -2.92413e+00 3.75981e-01  0.00000e+00 0.00000e+00 7.92463e+01 172.673 1.28047e+01 172.673 0.8061 
1 1 1 2  8  31 o 11 1.37242e+02 4.01088e+01 1.03329e+02 273.586 3.42667e-01  -5.46774e+00 0.00000e+00 0.00000e+00 1.18459e+02 273.586 1.51300e+01 273.586 0.9034 
1 1 1 2  8  32 o 2  7.74878e+01 3.20557e+01 4.60930e+01 178.886 -1.87232e+00 3.64029e-02  0.00000e+00 0.00000e+00 4.90688e+01 178.886 2.97577e+00 178.886 0.6757 
1 1 1 2  8  33 o 7  6.24594e+01 2.91428e+01 3.15516e+01 84.067  1.41422e-01  1.36085e+00  0.00000e+00 0.00000e+00 3.32782e+01 84.067  1.72659e+00 84.067  0.5618 
1 1 1 2  8  34 o 18 7.25216e+01 3.26551e+01 5.82783e+01 2.387   2.86563e+00  1.19446e-01  0.00000e+00 0.00000e+00 5.06996e+01 2.387   7.57870e+00 182.387 0.7997 
1 1 1 2  8  35 o 11 6.58850e+01 3.11365e+01 5.28245e+01 52.872  1.59239e+00  2.10341e+00  0.00000e+00 0.00000e+00 4.53343e+01 52.872  7.49020e+00 232.872 0.7792 
1 1 1 2  8  36 o 15 7.27472e+01 3.39444e+01 1.53918e+01 305.588 4.57630e-01  -6.39502e-01 0.00000e+00 0.00000e+00 3.63818e+01 305.588 2.09899e+01 305.588 0.3656 
1 1 1 2  8  37 o 5  7.04098e+01 3.50424e+01 1.78683e+01 341.326 8.21111e-01  -2.77515e-01 0.00000e+00 0.00000e+00 3.75786e+01 341.326 1.97102e+01 341.326 0.3972 
1 1 1 2  8  38 o 19 4.99982e+01 2.54456e+01 3.33029e+01 128.177 -1.27500e+00 1.62161e+00  0.00000e+00 0.00000e+00 3.82033e+01 128.177 4.90039e+00 128.177 0.7078 
1 1 1 2  8  39 o 13 6.06711e+01 3.03296e+01 1.97008e+01 219.725 -8.67859e-01 -7.21141e-01 0.00000e+00 0.00000e+00 4.15483e+01 219.725 2.18475e+01 219.725 0.4900 
1 1 1 2  9  0  o 14 6.54311e+02 2.20444e+01 2.68075e+02 0.000   1.91781e+00  0.00000e+00  0.00000e+00 0.00000e+00 6.19660e+02 0.000   3.51585e+02 0.000   0.9577 
1 1 1 2  9  1  o 4  5.58193e+02 1.39909e+01 3.42950e+02 17.895  3.95212e+00  1.27610e+00  0.00000e+00 0.00000e+00 3.44508e+02 17.895  1.55848e+00 17.895  0.8692 
1 1 1 2  9  2  o 5  5.64478e+02 1.40710e+01 1.93891e+02 318.282 1.72767e+00  -1.54025e+00 0.00000e+00 0.00000e+00 4.01033e+02 318.282 2.07142e+02 318.282 0.7432 
1 1 1 2  9  3  o 8  7.29571e+02 1.94806e+01 4.59952e+02 197.220 -6.48956e+00 -2.01129e+00 0.00000e+00 0.00000e+00 4.96323e+02 197.220 3.63707e+01 197.220 0.9232 
1 1 1 2  9  4  f 0  6.36721e+02 2.18715e+01 3.59868e+02 130.205 -4.51121e+00 5.33729e+00  0.00000e+00 0.00000e+00 4.78213e+02 130.205 1.18345e+02 130.205 0.9254 
1 1 1 2  9  5  o 15 8.81500e+02 1.95880e+01 7.23244e+02 65.104  7.68565e+00  1.65602e+01  0.00000e+00 0.00000e+00 4.98489e+02 65.104  2.24755e+02 245.104 0.9722 
1 1 1 2  9  6  o 4  5.28342e+02 1.36723e+01 3.46127e+02 242.232 -2.25578e+00 -4.28432e+00 0.00000e+00 0.00000e+00 3.25762e+02 242.232 2.03648e+01 62.232  0.8896 
1 1 1 2  9  7  o 5  9.01114e+02 2.31166e+01 6.62431e+02 230.676 -1.00785e+01 -1.23031e+01 0.00000e+00 0.00000e+00 5.88663e+02 230.676 7.37685e+01 50.676  0.9680 
1 1 1 2  9  8  o 1  1.51872e+02 1.01944e+01 2.63708e+02 146.634 -8.26088e-01 5.44006e-01  0.00000e+00 0.00000e+00 1.66953e+02 326.634 4.30661e+02 326.634 0.4425 
1 1 1 2  9  9  o 19 5.52956e+02 1.62966e+01 4.03908e+02 291.762 3.45961e+00  -8.66642e+00 0.00000e+00 0.00000e+00 3.51451e+02 291.762 5.24570e+01 111.762 0.9448 
1 1 1 2  9  10 o 16 9.35360e+02 2.07065e+01 5.92651e+02 20.768  2.79335e+01  1.05931e+01  0.00000e+00 0.00000e+00 7.43299e+02 20.768  1.50647e+02 20.768  0.9831 
1 1 1 2  9  11 o 4  3.87811e+02 1.22046e+01 2.71298e+02 172.075 -6.23048e+00 8.67346e-01  0.00000e+00 0.00000e+00 2.47896e+02 172.075 2.34015e+01 352.075 0.9167 
1 1 1 2  9  12 f 0  8.77321e+02 1.98610e+01 6.56942e+02 182.300 -3.80785e+01 -1.52912e+00 0.00000e+00 0.00000e+00 6.14828e+02 182.300 4.21143e+01 2.300   0.9868 
1 1 1 2  9  13 o 4  5.06344e+02 1.96254e+01 4.62482e+02 52.160  1.41493e+01  1.82150e+01  0.00000e+00 0.00000e+00 2.69635e+02 52.160  1.92846e+02 232.160 0.9781 
1 1 1 2  9  14 o 8  9.39968e+02 2.44369e+01 6.07121e+02 0.931   5.49740e+01  8.93712e-01  0.00000e+00 0.00000e+00 7.79144e+02 0.931   1.72024e+02 0.931   0.9909 
1 1 1 2  9  15 o 12 3.71449e+02 1.44659e+01 2.71717e+02 303.277 7.07318e+00  -1.07774e+01 0.00000e+00 0.00000e+00 2.63148e+02 303.277 8.56911e+00 123.277 0.9604 
1 1 1 2  9  16 o 9  5.14152e+02 2.03097e+01 2.97876e+02 218.022 -1.32631e+01 -1.03703e+01 0.00000e+00 0.00000e+00 4.55616e+02 218.022 1.57740e+02 218.022 0.9698 
1 1 1 2  9  17 o 12 5.22535e+02 1.72194e+01 2.19156e+02 266.761 -1.03654e+00 -1.83136e+01 0.00000e+00 0.00000e+00 5.55023e+02 266.761 3.35866e+02 266.761 0.9723 
1 1 1 2  9  18 o 14 3.35307e+02 1.90727e+01 2.06471e+02 137.040 -7.11240e+00 6.62321e+00  0.00000e+00 0.00000e+00 2.81686e+02 137.040 7.52149e+01 137.040 0.9471 
1 1 1 2  9  19 o 5  1.90358e+02 2.97716e+01 1.80330e+02 73.125  1.94243e+00  6.40326e+00  0.00000e+00 0.00000e+00 9.19729e+01 73.125  8.83573e+01 253.125 0.9219 
1 1 1 2  9  20 o 19 3.13079e+02 2.97185e+01 2.13377e+02 267.160 -6.56696e-01 -1.32365e+01 0.00000e+00 0.00000e+00 2.58322e+02 267.160 4.49447e+01 267.160 0.9615 
1 1 1 2  9  21 o 12 3.79474e+02 2.05010e+01 2.18381e+02 304.452 1.03527e+01  -1.50906e+01 0.00000e+00 0.00000e+00 3.65772e+02 304.452 1.47391e+02 304.452 0.9723 
1 1 1 2  9  22 o 1  3.22133e+02 2.20718e+01 1.84015e+02 74.509  3.67351e+00  1.32547e+01  0.00000e+00 0.00000e+00 3.12453e+02 74.509  1.28438e+02 74.509  0.9629 
1 1 1 2  9  23 o 8  7.44188e+01 3.21171e+01 2.80182e+01 238.892 -2.29434e-01 -3.80212e-01 0.00000e+00 0.00000e+00 1.90832e+00 58.892  2.99265e+01 58.892  0.2167 
1 1 1 2  9  24 o 12 2.65848e+02 4.04829e+01 1.98908e+02 311.106 6.63299e+00  -7.60193e+00 0.00000e+00 0.00000e+00 2.14393e+02 311.106 1.54848e+01 311.106 0.9491 
1 1 1 2  9  25 o 15 1.69296e+02 3.68826e+01 1.02860e+02 137.228 -2.39886e+00 2.21916e+00  0.00000e+00 0.00000e+00 1.29615e+02 137.228 2.67555e+01 137.228 0.8280 
1 1 1 2  9  26 o 10 1.92939e+02 4.68013e+01 4.53330e+01 292.822 6.99532e-01  -1.66234e+00 0.00000e+00 0.00000e+00 1.69469e+02 292.822 1.24136e+02 292.822 0.6627 
1 1 1 2  9  27 o 2  1.20038e+02 3.97084e+01 2.79911e+01 331.216 7.88188e-01  -4.33030e-01 0.00000e+00 0.00000e+00 5.57129e+01 331.216 2.77218e+01 331.216 0.4096 
1 1 1 2  9  28 o 8  9.92718e+01 3.52228e+01 2.54810e+01 177.881 -7.65965e-01 2.83474e-02  0.00000e+00 0.00000e+00 3.58025e+01 177.881 1.03215e+01 177.881 0.3576 
1 1 1 2  9  29 o 5  8.89106e+01 3.28910e+01 4.86053e+01 156.133 -1.51163e+00 6.68835e-01  0.00000e+00 0.00000e+00 4.97619e+01 156.133 1.15652e+00 156.133 0.6317 
1 1 1 2  9  30 o 8  1.41950e+02 4.02501e+01 1.02086e+02 155.213 -4.71079e+00 2.17537e+00  0.00000e+00 0.00000e+00 1.24394e+02 155.213 2.23071e+01 155.213 0.8976 
1 1 1 2  9  31 o 11 1.23717e+02 4.10180e+01 7.98415e+01 334.456 3.15965e+00  -1.51005e+00 0.00000e+00 0.00000e+00 1.08017e+02 334.456 2.81755e+01 334.456 0.8412 
1 1 1 2  9  32 o 1  6.31690e+01 2.88654e+01 4.55839e+01 308.576 1.13301e+00  -1.42053e+00 0.00000e+00 0.00000e+00 3.14949e+01 308.576 1.40890e+01 128.576 0.6653 
1 1 1 2  9  33 o 11 5.01205e+01 2.46940e+01 5.90788e+01 161.623 -2.41865e+00 8.03493e-01  0.00000e+00 0.00000e+00 1.28874e+01 161.623 4.61914e+01 341.623 0.7702 
1 1 1 2  9  34 o 4  6.00726e+01 2.87838e+01 9.84729e+00 87.209  2.38631e-02  4.89539e-01  0.00000e+00 0.00000e+00 1.72598e+01 87.209  7.41252e+00 87.209  0.2380 
1 1 1 2  9  35 o 4  6.07238e+01 2.94256e+01 3.92498e+01 45.361  1.38043e+00  1.39793e+00  0.00000e+00 0.00000e+00 4.18096e+01 45.361  2.55973e+00 45.361  0.6919 
1 1 1 2  9  36 o 18 7.49018e+01 3.44590e+01 4.23027e+01 350.885 2.21348e+00  -3.55147e-01 0.00000e+00 0.00000e+00 6.56477e+01 350.885 2.33450e+01 350.885 0.7337 
1 1 1 2  9  37 o 2  6.60735e+01 3.33767e+01 2.40125e+01 344.188 1.17011e+00  -3.31374e-01 0.00000e+00 0.00000e+00 4.44306e+01 344.188 2.04181e+01 344.188 0.5177 
1 1 1 2  9  38 o 7  5.11409e+01 2.59530e+01 2.36586e+01 199.283 -1.37730e+00 -4.81867e-01 0.00000e+00 0.00000e+00 3.74316e+01 199.283 1.37730e+01 199.283 0.5859 
1 1 1 2  10 0  o 2  5.11660e+02 1.88467e+01 1.98328e+02 0.000   1.49847e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.64226e+02 0.000   2.65897e+02 0.000   0.9049 
1 1 1 2  10 1  o 13 6.14551e+02 1.48678e+01 3.72351e+02 16.187  6.43806e+00  1.86884e+00  0.00000e+00 0.00000e+00 4.38767e+02 16.187  6.64160e+01 16.187  0.9221 
1 1 1 2  10 2  o 13 7.55414e+02 1.72473e+01 3.36807e+02 61.635  3.46187e+00  6.41201e+00  0.00000e+00 0.00000e+00 6.68055e+02 61.635  3.31247e+02 61.635  0.9286 
1 1 1 2  10 3  o 17 5.23701e+02 1.57647e+01 3.28806e+02 196.310 -4.54046e+00 -1.32858e+00 0.00000e+00 0.00000e+00 3.37264e+02 196.310 8.45821e+00 196.310 0.8867 
1 1 1 2  10 4  o 18 5.87443e+02 2.07744e+01 7.44297e+02 326.747 9.56423e+00  -6.27135e+00 0.00000e+00 0.00000e+00 6.19693e+01 326.747 6.82328e+02 146.747 0.9552 
1 1 1 2  10 5  o 10 9.10761e+02 2.32849e+01 5.17506e+02 84.278  1.16085e+00  1.15856e+01  0.00000e+00 0.00000e+00 7.36424e+02 84.278  2.18919e+02 84.278  0.9560 
1 1 1 2  10 6  o 1  6.54422e+02 1.81140e+01 2.11472e+02 141.812 -2.77859e+00 2.18562e+00  0.00000e+00 0.00000e+00 5.85128e+02 141.812 3.73656e+02 141.812 0.8429 
1 1 1 2  10 7  o 12 1.68040e+02 9.71010e+00 1.62967e+02 303.862 6.76890e-01  -1.00874e+00 0.00000e+00 0.00000e+00 3.70129e+01 123.862 1.99980e+02 123.862 0.5173 
1 1 1 2  10 8  o 10 6.43918e+02 1.56331e+01 3.83577e+02 168.237 -9.92326e+00 2.06635e+00  0.00000e+00 0.00000e+00 5.05421e+02 168.237 1.21844e+02 168.237 0.9493 
1 1 1 2  10 9  o 16 4.02035e+02 1.38393e+01 1.82165e+02 237.306 -2.13511e+00 -3.32654e+00 0.00000e+00 0.00000e+00 3.23817e+02 237.306 1.41653e+02 237.306 0.8617 
1 1 1 2  10 10 o 3  7.56393e+02 1.76141e+01 3.59952e+02 297.873 7.56533e+00  -1.43047e+01 0.00000e+00 0.00000e+00 7.15257e+02 297.873 3.55305e+02 297.873 0.9686 
1 1 1 2  10 11 o 16 2.84854e+02 1.12968e+01 8.51282e+01 279.656 2.74774e-01  -1.61500e+00 0.00000e+00 0.00000e+00 1.79006e+02 279.656 9.38774e+01 279.656 0.6285 
1 1 1 2  10 12 o 1  3.91715e+01 1.59046e+01 9.25902e+01 334.900 3.31286e-01  -1.55183e-01 0.00000e+00 0.00000e+00 8.21314e+01 154.900 1.74722e+02 154.900 0.1799 
1 1 1 2  10 13 o 6  2.47378e+02 1.29766e+01 1.95986e+02 43.982  3.53400e+00  3.41057e+00  0.00000e+00 0.00000e+00 1.33274e+02 43.982  6.27116e+01 223.982 0.8913 
1 1 1 2  10 14 o 17 2.94975e+02 1.70721e+01 7.53050e+01 334.526 1.93775e+00  -9.23193e-01 0.00000e+00 0.00000e+00 2.44206e+02 334.526 1.68901e+02 334.526 0.7204 
1 1 1 2  10 15 o 14 5.16530e+02 1.64723e+01 3.79464e+02 315.055 1.58257e+01  -1.57955e+01 0.00000e+00 0.00000e+00 3.85167e+02 315.055 5.70342e+00 315.055 0.9774 
1 1 1 2  10 16 f 0  5.24758e+02 1.69450e+01 1.25354e+02 182.912 -8.97659e+00 -4.56620e-01 0.00000e+00 0.00000e+00 6.29707e+02 182.912 5.04353e+02 182.912 0.9426 
1 1 1 2  10 17 o 16 2.37157e+02 1.84882e+01 2.19030e+02 107.756 -2.74884e+00 8.58439e+00  0.00000e+00 0.00000e+00 1.25123e+02 107.756 9.39072e+01 287.756 0.9428 
1 1 1 2  10 18 o 5  1.34568e+02 2.39471e+01 1.14284e+02 341.500 2.44612e+00  -8.18457e-01 0.00000e+00 0.00000e+00 4.73245e+01 341.500 6.69595e+01 161.500 0.7734 
1 1 1 2  10 19 o 17 1.51086e+02 3.19643e+01 8.98756e+01 163.948 -2.36696e+00 6.81043e-01  0.00000e+00 0.00000e+00 9.03214e+01 163.948 4.45749e-01 163.948 0.7609 
1 1 1 2  10 20 o 7  2.64906e+02 2.03919e+01 2.34526e+02 209.048 -1.16166e+01 -6.45197e+00 0.00000e+00 0.00000e+00 1.68699e+02 209.048 6.58276e+01 29.048  0.9616 
1 1 1 2  10 21 o 17 5.44926e+01 2.48378e+01 7.01431e+00 249.672 -3.24886e-02 -8.76952e-02 0.00000e+00 0.00000e+00 2.94344e+00 69.672  9.95775e+00 69.672  0.0467 
1 1 1 2  10 22 o 13 8.27099e+01 3.29225e+01 4.34412e+01 86.283  4.73611e-02  7.29105e-01  0.00000e+00 0.00000e+00 2.41759e+00 86.283  4.10236e+01 266.283 0.3429 
1 1 1 2  10 23 o 2  2.00157e+02 2.98947e+01 7.10578e+01 299.191 1.16405e+00  -2.08359e+00 0.00000e+00 0.00000e+00 1.75109e+02 299.191 1.04051e+02 299.191 0.7521 
1 1 1 2  10 24 o 1  8.55281e+01 3.49337e+01 1.14003e+02 343.574 1.75719e+00  -5.18030e-01 0.00000e+00 0.00000e+00 1.94399e+01 163.574 1.33443e+02 163.574 0.6682 
1 1 1 2  10 25 o 17 2.41770e+02 2.86278e+01 1.03882e+02 287.702 1.56566e+00  -4.90536e+00 0.00000e+00 0.00000e+00 2.59335e+02 287.702 1.55452e+02 287.702 0.8967 
1 1 1 2  10 26 o 8  2.20212e+02 4.36892e+01 1.36610e+02 102.945 -1.55144e+00 6.74942e+00  0.00000e+00 0.00000e+00 2.08950e+02 102.945 7.23404e+01 102.945 0.9247 
1 1 1 2  10 27 o 4  2.42457e+02 4.32849e+01 1.40577e+02 120.169 -4.41965e+00 7.60309e+00  0.00000e+00 0.00000e+00 2.51937e+02 120.169 1.11360e+02 120.169 0.9413 
1 1 1 2  10 28 o 2  1.24806e+02 3.36944e+01 6.13425e+01 226.345 -1.93621e+00 -2.02929e+00 0.00000e+00 0.00000e+00 1.11567e+02 226.345 5.02244e+01 226.345 0.7945 
1 1 1 2  10 29 o 4  5.41799e+01 2.54702e+01 2.41623e+01 287.492 1.70695e-01  -5.41625e-01 0.00000e+00 0.00000e+00 2.01262e+00 287.492 2.21497e+01 107.492 0.2731 
1 1 1 2  10 30 o 3  7.60605e+01 3.34462e+01 5.17601e+01 316.557 1.30460e+00  -1.23555e+00 0.00000e+00 0.00000e+00 3.85753e+01 316.557 1.31848e+01 136.557 0.6614 
1 1 1 2  10 31 o 4  6.50428e+01 2.92319e+01 7.36832e+01 332.968 2.12614e+00  -1.08483e+00 0.00000e+00 0.00000e+00 1.55205e+01 332.968 5.81627e+01 152.968 0.7521 
1 1 1 2  10 32 o 10 5.72683e+01 2.71642e+01 4.12624e+01 87.257  7.87308e-02  1.64328e+00  0.00000e+00 0.00000e+00 2.55831e+01 87.257  1.56793e+01 267.257 0.6300 
1 1 1 2  10 33 f 0  9.36786e+01 4.09232e+01 2.64157e+01 340.875 1.09776e+00  -3.80679e-01 0.00000e+00 0.00000e+00 6.19413e+01 340.875 3.55256e+01 340.875 0.5008 
1 1 1 2  10 34 o 10 7.77536e+01 3.46368e+01 4.41841e+01 33.986  1.79043e+00  1.20702e+00  0.00000e+00 0.00000e+00 6.33825e+01 33.986  1.91984e+01 33.986  0.7223 
1 1 1 2  10 35 o 2  5.49205e+01 2.78288e+01 3.97340e+01 235.896 -1.10362e+00 -1.62977e+00 0.00000e+00 0.00000e+00 3.43911e+01 235.896 5.34287e+00 55.896  0.6925 
1 1 1 2  10 36 o 13 6.24577e+01 3.02771e+01 3.81346e+01 251.774 -6.35847e-01 -1.93101e+00 0.00000e+00 0.00000e+00 4.90029e+01 251.774 1.08683e+01 251.774 0.7031 
1 1 1 2  10 37 o 13 4.98340e+01 2.52367e+01 2.99762e+01 122.088 -9.42864e-01 1.50373e+00  0.00000e+00 0.00000e+00 3.62079e+01 122.088 6.23173e+00 122.088 0.6571 
1 1 1 2  10 38 o 19 5.63118e+01 2.88609e+01 1.62649e+01 259.892 -1.62644e-01 -9.12353e-01 0.00000e+00 0.00000e+00 3.24283e+01 259.892 1.61634e+01 259.892 0.4198 
1 1 1 2  11 0  o 17 8.51744e+02 2.68858e+01 6.05386e+02 0.000   6.45290e+00  0.00000e+00  0.00000e+00 0.00000e+00 6.27214e+02 0.000   2.18281e+01 0.000   1.0000 
1 1 1 2  11 1  o 5  5.93333e+02 1.45470e+01 2.56298e+02 225.386 -2.66445e+00 -2.70063e+00 0.00000e+00 0.00000e+00 4.78111e+02 225.386 2.21813e+02 225.386 0.8551 
1 1 1 2  11 2  o 13 6.21228e+02 1.73212e+01 6.13873e+02 223.102 -7.47648e+00 -6.99687e+00 0.00000e+00 0.00000e+00 2.40909e+02 223.102 3.72964e+02 43.102  0.9498 
1 1 1 2  11 3  o 18 6.16359e+02 1.73689e+01 2.88388e+02 182.355 -4.63398e+00 -1.90570e-01 0.00000e+00 0.00000e+00 5.02124e+02 182.355 2.13736e+02 182.355 0.8842 
1 1 1 2  11 4  o 3  8.70521e+02 2.24058e+01 6.11933e+02 16.771  1.27580e+01  3.84486e+00  0.00000e+00 0.00000e+00 6.04511e+02 16.771  7.42223e+00 196.771 0.9617 
1 1 1 2  11 5  o 14 5.33952e+02 1.60627e+01 3.93391e+02 210.731 -7.99977e+00 -4.75574e+00 0.00000e+00 0.00000e+00 3.41163e+02 210.731 5.22284e+01 30.731  0.9446 
1 1 1 2  11 6  o 18 1.89521e+02 1.45790e+01 1.57967e+02 168.407 -1.23270e+00 2.52889e-01  0.00000e+00 0.00000e+00 1.11439e+01 348.407 1.69110e+02 348.407 0.5305 
1 1 1 2  11 7  o 18 3.48806e+02 1.13818e+01 3.32476e+02 15.511  6.28646e+00  1.74472e+00  0.00000e+00 0.00000e+00 1.37591e+02 15.511  1.94885e+02 195.511 0.9198 
1 1 1 2  11 8  o 18 7.96134e+02 1.81748e+01 5.12484e+02 117.026 -1.15908e+01 2.27228e+01  0.00000e+00 0.00000e+00 6.35206e+02 117.026 1.22721e+02 117.026 0.9802 
1 1 1 2  11 9  o 4  2.19724e+02 1.19571e+01 1.96845e+02 293.149 1.22160e+00  -2.85724e+00 0.00000e+00 0.00000e+00 6.85037e+01 293.149 1.28342e+02 113.149 0.8176 
1 1 1 2  11 10 o 16 5.19664e+02 1.38792e+01 4.17072e+02 215.973 -1.38002e+01 -1.00163e+01 0.00000e+00 0.00000e+00 3.31201e+02 215.973 8.58708e+01 35.973  0.9702 
1 1 1 2  11 11 o 5  2.51781e+02 1.69925e+01 3.18243e+02 155.750 -7.35781e+00 3.31453e+00  0.00000e+00 0.00000e+00 3.33035e+01 155.750 2.84940e+02 335.749 0.9358 
1 1 1 2  11 12 f 0  2.53434e+02 1.26765e+01 1.97272e+02 13.067  4.97238e+00  1.15412e+00  0.00000e+00 0.00000e+00 1.43402e+02 13.067  5.38702e+01 193.067 0.8958 
1 1 1 2  11 13 o 18 7.32285e+02 2.01344e+01 4.96635e+02 276.164 3.78761e+00  -3.50695e+01 0.00000e+00 0.00000e+00 5.93446e+02 276.164 9.68114e+01 276.164 0.9857 
1 1 1 2  11 14 o 1  5.71076e+02 2.14670e+01 2.77257e+02 243.694 -8.47720e+00 -1.71474e+01 0.00000e+00 0.00000e+00 5.68044e+02 243.694 2.90787e+02 243.694 0.9735 
1 1 1 2  11 15 o 1  1.76716e+02 1.47014e+01 1.13216e+02 121.080 -1.44944e+00 2.40469e+00  0.00000e+00 0.00000e+00 1.01882e+02 121.080 1.13346e+01 301.080 0.7947 
1 1 1 2  11 16 o 2  2.28088e+02 1.52905e+01 1.88858e+02 301.553 4.05546e+00  -6.60419e+00 0.00000e+00 0.00000e+00 1.39663e+02 301.553 4.91943e+01 121.553 0.9331 
1 1 1 2  11 17 o 5  6.20599e+01 2.49317e+01 9.90252e+01 225.904 -5.77759e-01 -5.96280e-01 0.00000e+00 0.00000e+00 6.20235e+01 45.904  1.61049e+02 45.904  0.3830 
1 1 1 2  11 18 o 17 9.91154e+01 3.16043e+01 8.14293e+01 67.003  6.00435e-01  1.41475e+00  0.00000e+00 0.00000e+00 1.27561e+01 67.003  6.86732e+01 247.003 0.6051 
1 1 1 2  11 19 f 0  5.67418e+01 2.47222e+01 1.63999e+01 268.829 -3.93203e-03 -1.92300e-01 0.00000e+00 0.00000e+00 7.79012e+00 88.829  2.41901e+01 88.829  0.0957 
1 1 1 2  11 20 o 10 1.36276e+02 2.75609e+01 1.06889e+02 57.436  1.63590e+00  2.56150e+00  0.00000e+00 0.00000e+00 7.04295e+01 57.436  3.64594e+01 237.436 0.8129 
1 1 1 2  11 21 o 17 3.56564e+02 2.17128e+01 1.95263e+02 79.752  2.89510e+00  1.60132e+01  0.00000e+00 0.00000e+00 3.63427e+02 79.752  1.68164e+02 79.752  0.9688 
1 1 1 2  11 22 o 13 2.90837e+02 2.41366e+01 2.71290e+02 237.764 -9.77778e+00 -1.55054e+01 0.00000e+00 0.00000e+00 1.91075e+02 237.764 8.02145e+01 57.764  0.9723 
1 1 1 2  11 23 o 16 3.53043e+02 2.41000e+01 2.49695e+02 279.312 3.28844e+00  -2.00539e+01 0.00000e+00 0.00000e+00 3.19574e+02 279.312 6.98792e+01 279.312 0.9751 
1 1 1 2  11 24 o 4  2.32544e+02 2.80666e+01 1.34353e+02 107.539 -1.95848e+00 6.19678e+00  0.00000e+00 0.00000e+00 2.23448e+02 107.539 8.90953e+01 107.539 0.9195 
1 1 1 2  11 25 o 4  2.76783e+02 2.61132e+01 7.55770e+01 357.480 5.12955e+00  -2.25768e-01 0.00000e+00 0.00000e+00 3.44773e+02 357.480 2.69196e+02 357.480 0.8964 
1 1 1 2  11 26 o 18 2.21876e+02 4.37308e+01 1.26844e+02 335.713 6.41551e+00  -2.89501e+00 0.00000e+00 0.00000e+00 2.25733e+02 335.713 9.88890e+01 335.713 0.9260 
1 1 1 2  11 27 o 12 1.92785e+02 2.93794e+01 1.03350e+02 191.600 -6.62981e+00 -1.36093e+00 0.00000e+00 0.00000e+00 2.06077e+02 191.600 1.02727e+02 191.600 0.9228 
1 1 1 2  11 28 o 9  1.31841e+02 3.38212e+01 5.94131e+01 263.383 -3.40950e-01 -2.93890e+00 0.00000e+00 0.00000e+00 1.28188e+02 263.383 6.87750e+01 263.383 0.8069 
1 1 1 2  11 29 o 5  9.42759e+01 3.30771e+01 5.35806e+01 324.337 1.75212e+00  -1.25733e+00 0.00000e+00 0.00000e+00 6.81746e+01 324.337 1.45940e+01 324.337 0.7219 
1 1 1 2  11 30 o 13 8.25667e+01 3.57819e+01 3.44744e+01 279.741 1.97263e-01  -1.14912e+00 0.00000e+00 0.00000e+00 4.08054e+01 279.741 6.33098e+00 279.741 0.5021 
1 1 1 2  11 31 o 16 8.63072e+01 3.38748e+01 3.99475e+01 122.873 -9.73184e-01 1.50584e+00  0.00000e+00 0.00000e+00 6.51986e+01 122.873 2.52511e+01 122.873 0.6607 
1 1 1 2  11 32 o 7  8.66394e+01 3.89087e+01 6.13812e+01 186.759 -2.55718e+00 -3.03087e-01 0.00000e+00 0.00000e+00 6.40814e+01 186.759 2.70019e+00 186.759 0.7729 
1 1 1 2  11 33 o 15 7.32654e+01 3.27839e+01 5.44701e+01 351.104 2.64884e+00  -4.14586e-01 0.00000e+00 0.00000e+00 5.48322e+01 351.104 3.62159e-01 351.104 0.7833 
1 1 1 2  11 34 o 2  6.87147e+01 3.19721e+01 2.64715e+01 58.643  6.87618e-01  1.12842e+00  0.00000e+00 0.00000e+00 4.65708e+01 58.643  2.00993e+01 58.643  0.5488 
1 1 1 2  11 35 o 3  6.30415e+01 3.04393e+01 1.91809e+01 292.400 3.80542e-01  -9.23253e-01 0.00000e+00 0.00000e+00 3.62223e+01 292.400 1.70413e+01 292.400 0.4459 
1 1 1 2  11 36 o 1  6.09686e+01 3.05773e+01 1.80212e+01 224.465 -6.71053e-01 -6.58633e-01 0.00000e+00 0.00000e+00 3.39508e+01 224.465 1.59296e+01 224.465 0.4248 
1 1 1 2  11 37 o 17 6.05746e+01 2.99757e+01 2.66294e+01 166.923 -1.47007e+00 3.41473e-01  0.00000e+00 0.00000e+00 4.74554e+01 166.923 2.08260e+01 166.923 0.5984 
1 1 1 2  11 38 o 18 5.49048e+01 2.82013e+01 1.25996e+01 2.898   7.35801e-01  3.72542e-02  0.00000e+00 0.00000e+00 2.69053e+01 2.898   1.43057e+01 2.898   0.3454 
1 1 1 2  12 0  o 4  7.34673e+02 2.40268e+01 5.88381e+02 0.000   9.54678e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.87923e+02 0.000   1.00458e+02 180.000 1.0000 
1 1 1 2  12 1  o 6  3.18742e+02 1.07432e+01 2.50496e+02 359.035 3.52832e+00  -5.94047e-02 0.00000e+00 0.00000e+00 1.43062e+02 359.035 1.07434e+02 179.035 0.8426 
1 1 1 2  12 2  o 3  8.95008e+02 1.97662e+01 4.50152e+02 134.498 -1.21881e+01 1.24034e+01  0.00000e+00 0.00000e+00 8.24053e+02 134.498 3.73901e+02 134.498 0.9708 
1 1 1 2  12 3  o 18 3.99466e+02 1.17927e+01 3.36598e+02 164.670 -5.50648e+00 1.50953e+00  0.00000e+00 0.00000e+00 1.95754e+02 164.670 1.40844e+02 344.670 0.9076 
1 1 1 2  12 4  o 6  2.85991e+02 1.24109e+01 2.32675e+02 37.644  3.06623e+00  2.36504e+00  0.00000e+00 0.00000e+00 1.28443e+02 37.644  1.04232e+02 217.644 0.8584 
1 1 1 2  12 5  o 16 3.31379e+02 1.59401e+01 2.28673e+02 207.164 -3.75278e+00 -1.92568e+00 0.00000e+00 0.00000e+00 1.97049e+02 207.164 3.16237e+01 27.164  0.8714 
1 1 1 2  12 6  o 18 5.48617e+02 1.63775e+01 4.00179e+02 314.386 9.74065e+00  -9.95171e+00 0.00000e+00 0.00000e+00 3.81193e+02 314.386 1.89855e+01 134.386 0.9634 
1 1 1 2  12 7  f 0  2.37423e+02 1.04710e+01 2.09983e+02 358.283 3.02332e+00  -9.06341e-02 0.00000e+00 0.00000e+00 7.58908e+01 358.283 1.34093e+02 178.283 0.8118 
1 1 1 2  12 8  o 4  3.74045e+02 1.33356e+01 1.94922e+02 346.970 4.94655e+00  -1.14468e+00 0.00000e+00 0.00000e+00 3.03580e+02 346.970 1.08657e+02 346.970 0.8951 
1 1 1 2  12 9  f 0  4.84987e+02 1.33454e+01 3.78076e+02 16.146  1.35951e+01  3.93593e+00  0.00000e+00 0.00000e+00 3.20991e+02 16.146  5.70847e+01 196.146 0.9640 
1 1 1 2  12 10 o 1  9.13614e+01 1.28290e+01 5.73905e+01 267.250 -2.52784e-02 -5.26285e-01 0.00000e+00 0.00000e+00 2.24284e+01 87.250  7.98188e+01 87.250  0.2547 
1 1 1 2  12 11 f 0  4.24162e+02 1.44342e+01 4.54488e+02 143.332 -1.56594e+01 1.16587e+01  0.00000e+00 0.00000e+00 1.69537e+02 143.332 2.84950e+02 323.332 0.9740 
1 1 1 2  12 12 o 2  4.90451e+02 1.56582e+01 2.71718e+02 146.228 -1.08883e+01 7.28124e+00  0.00000e+00 0.00000e+00 4.44337e+02 146.228 1.72619e+02 146.228 0.9610 
1 1 1 2  12 13 o 11 3.90405e+02 1.81172e+01 3.11544e+02 311.830 9.98450e+00  -1.11551e+01 0.00000e+00 0.00000e+00 2.65014e+02 311.830 4.65297e+01 131.830 0.9660 
1 1 1 2  12 14 o 12 8.36645e+01 2.52740e+01 1.05590e+02 164.059 -1.15174e+00 3.28975e-01  0.00000e+00 0.00000e+00 3.96411e+01 344.059 1.45231e+02 344.059 0.5121 
1 1 1 2  12 15 o 6  1.01085e+02 1.99186e+01 1.92663e+02 110.307 -1.06633e+00 2.88162e+00  0.00000e+00 0.00000e+00 6.48903e+01 290.307 2.57554e+02 290.307 0.8152 
1 1 1 2  12 16 o 16 6.55747e+01 2.32473e+01 1.39196e+02 179.846 -1.26421e+00 3.39600e-03  0.00000e+00 0.00000e+00 8.46570e+01 359.846 2.23853e+02 359.846 0.5322 
1 1 1 2  12 17 o 14 6.54774e+01 2.53871e+01 7.84664e+01 68.467  3.85867e-01  9.77916e-01  0.00000e+00 0.00000e+00 3.05644e+01 248.467 1.09031e+02 248.467 0.4643 
1 1 1 2  12 18 o 3  1.10200e+02 3.26573e+01 2.30545e+01 258.789 -8.80140e-02 -4.44055e-01 0.00000e+00 0.00000e+00 1.56165e+01 258.789 7.43794e+00 78.789  0.2207 
1 1 1 2  12 19 o 13 3.59970e+02 1.99873e+01 2.51790e+02 224.001 -1.38897e+01 -1.34137e+01 0.00000e+00 0.00000e+00 3.10670e+02 224.001 5.88804e+01 224.001 0.9738 
1 1 1 2  12 20 o 6  2.28997e+02 2.29742e+01 1.79806e+02 15.791  9.83359e+00  2.78092e+00  0.00000e+00 0.00000e+00 1.72632e+02 15.791  7.17427e+00 195.791 0.9497 
1 1 1 2  12 21 o 14 1.08040e+02 3.48900e+01 1.33528e+02 40.673  2.17414e+00  1.86827e+00  0.00000e+00 0.00000e+00 7.92256e+00 40.673  1.25605e+02 220.673 0.7996 
1 1 1 2  12 22 o 16 3.70305e+02 2.34068e+01 2.18949e+02 270.663 1.82356e-01  -1.57511e+01 0.00000e+00 0.00000e+00 3.74191e+02 270.663 1.55243e+02 270.663 0.9677 
1 1 1 2  12 23 o 19 8.23911e+01 3.47094e+01 8.76002e+01 113.858 -5.51700e-01 1.24744e+00  0.00000e+00 0.00000e+00 1.02673e+01 293.858 9.78675e+01 293.858 0.5607 
1 1 1 2  12 24 o 2  2.62641e+02 2.72107e+01 1.52054e+02 101.411 -1.65279e+00 8.18910e+00  0.00000e+00 0.00000e+00 2.65325e+02 101.411 1.13271e+02 101.411 0.9381 
1 1 1 2  12 25 o 2  2.55871e+02 4.08245e+01 1.14498e+02 72.711  2.11133e+00  6.78323e+00  0.00000e+00 0.00000e+00 2.92170e+02 72.711  1.77672e+02 72.711  0.9267 
1 1 1 2  12 26 o 13 2.58778e+02 2.78931e+01 1.44038e+02 201.662 -1.06346e+01 -4.22389e+00 0.00000e+00 0.00000e+00 2.85420e+02 201.662 1.41382e+02 201.662 0.9553 
1 1 1 2  12 28 o 5  9.68655e+01 3.37893e+01 6.75151e+01 8.790   2.37162e+00  3.66736e-01  0.00000e+00 0.00000e+00 6.28134e+01 8.790   4.70168e+00 188.790 0.7536 
1 1 1 2  12 29 f 0  7.56662e+01 3.06257e+01 5.11794e+01 314.653 1.34889e+00  -1.36533e+00 0.00000e+00 0.00000e+00 4.25648e+01 314.653 8.61463e+00 134.653 0.6841 
1 1 1 2  12 30 o 4  1.05917e+02 3.56747e+01 2.18953e+01 70.066  3.32377e-01  9.16495e-01  0.00000e+00 0.00000e+00 6.32735e+01 70.066  4.13782e+01 70.066  0.4374 
1 1 1 2  12 31 o 16 7.70252e+01 3.26181e+01 5.56192e+01 105.759 -6.44583e-01 2.28410e+00  0.00000e+00 0.00000e+00 5.22911e+01 105.759 3.32811e+00 285.759 0.7505 
1 1 1 2  12 32 o 3  9.64216e+01 3.70325e+01 4.63607e+01 311.963 1.58404e+00  -1.76156e+00 0.00000e+00 0.00000e+00 9.07918e+01 311.963 4.44311e+01 311.963 0.7500 
1 1 1 2  12 33 o 2  8.26717e+01 3.52821e+01 3.78676e+01 48.068  1.27985e+00  1.42483e+00  0.00000e+00 0.00000e+00 7.10527e+01 48.068  3.31850e+01 48.068  0.6834 
1 1 1 2  12 34 o 19 7.30525e+01 3.35616e+01 3.65541e+01 177.705 -1.80657e+00 7.24041e-02  0.00000e+00 0.00000e+00 5.85019e+01 177.705 2.19478e+01 177.705 0.6636 
1 1 1 2  12 35 o 2  5.97051e+01 2.91383e+01 3.57270e+01 299.879 9.65014e-01  -1.67961e+00 0.00000e+00 0.00000e+00 4.61338e+01 299.879 1.04067e+01 299.879 0.6872 
1 1 1 2  12 36 o 5  6.52671e+01 3.16721e+01 1.50741e+01 25.106  7.38627e-01  3.46088e-01  0.00000e+00 0.00000e+00 3.49475e+01 25.106  1.98733e+01 25.106  0.3773 
1 1 1 2  12 37 o 9  5.84654e+01 2.91606e+01 2.35601e+01 153.015 -1.20344e+00 6.12785e-01  0.00000e+00 0.00000e+00 4.38117e+01 153.015 2.02516e+01 153.015 0.5569 
1 1 1 2  13 0  o 10 3.15750e+02 1.53304e+01 3.06867e+02 180.000 -2.68360e+00 -0.00000e+00 0.00000e+00 0.00000e+00 1.57562e+02 180.000 1.49305e+02 0.000   0.9907 
1 1 1 2  13 1  o 16 4.12211e+02 1.19468e+01 3.96806e+02 256.144 -2.15833e+00 -8.75021e+00 0.00000e+00 0.00000e+00 1.80313e+02 256.144 2.16493e+02 76.144  0.9428 
1 1 1 2  13 2  o 18 4.91631e+02 1.30778e+01 4.64460e+02 9.747   1.22293e+01  2.10069e+00  0.00000e+00 0.00000e+00 2.36097e+02 9.747   2.28363e+02 189.747 0.9588 
1 1 1 2  13 3  o 2  2.85554e+02 1.22764e+01 1.41416e+02 50.282  1.64350e+00  1.97835e+00  0.00000e+00 0.00000e+00 1.86875e+02 50.282  4.54588e+01 50.282  0.7726 
1 1 1 2  13 4  o 4  6.60635e+02 1.84142e+01 2.89059e+02 133.599 -8.08490e+00 8.49034e+00  0.00000e+00 0.00000e+00 6.52748e+02 133.599 3.63689e+02 133.599 0.9564 
1 1 1 2  13 5  o 18 5.36252e+02 1.60180e+01 3.89193e+02 188.964 -1.49296e+01 -2.35492e+00 0.00000e+00 0.00000e+00 3.85023e+02 188.964 4.16966e+00 8.964   0.9663 
1 1 1 2  13 6  o 19 3.61539e+02 1.72070e+01 2.01676e+02 40.707  3.83721e+00  3.30135e+00  0.00000e+00 0.00000e+00 2.83001e+02 40.707  8.13249e+01 40.707  0.8948 
1 1 1 2  13 7  f 0  8.24944e+02 1.87506e+01 4.90618e+02 233.473 -1.87159e+01 -2.52679e+01 0.00000e+00 0.00000e+00 7.29500e+02 233.473 2.38883e+02 233.473 0.9840 
1 1 1 2  13 8  o 10 6.74620e+02 1.86706e+01 3.84921e+02 235.829 -1.48638e+01 -2.18956e+01 0.00000e+00 0.00000e+00 6.13542e+02 235.829 2.28621e+02 235.829 0.9809 
1 1 1 2  13 9  o 4  6.45568e+02 1.58466e+01 3.91810e+02 299.144 1.20128e+01  -2.15440e+01 0.00000e+00 0.00000e+00 5.66385e+02 299.144 1.74575e+02 299.144 0.9795 
1 1 1 2  13 10 o 6  1.80506e+02 1.45976e+01 1.06172e+02 267.883 -7.05495e-02 -1.90845e+00 0.00000e+00 0.00000e+00 8.13715e+01 267.883 2.48002e+01 87.883  0.6824 
1 1 1 2  13 11 o 18 1.79112e+02 1.24978e+01 1.13937e+02 42.373  1.47839e+00  1.34870e+00  0.00000e+00 0.00000e+00 7.74174e+01 42.373  3.65201e+01 222.373 0.6980 
1 1 1 2  13 12 o 11 2.02088e+02 1.29397e+01 1.63913e+02 43.720  2.81081e+00  2.68798e+00  0.00000e+00 0.00000e+00 1.03384e+02 43.720  6.05288e+01 223.720 0.8591 
1 1 1 2  13 13 o 16 1.32828e+02 1.44901e+01 3.86583e+01 148.382 -6.21855e-01 3.82833e-01  0.00000e+00 0.00000e+00 3.18802e+01 148.382 6.77811e+00 328.382 0.3428 
1 1 1 2  13 14 o 2  2.96860e+02 1.86677e+01 2.01105e+02 284.961 2.46049e+00  -9.20801e+00 0.00000e+00 0.00000e+00 2.36955e+02 284.961 3.58499e+01 284.961 0.9460 
1 1 1 2  13 15 o 10 5.65521e+01 2.48236e+01 8.74797e+01 335.829 6.25709e-01  -2.80824e-01 0.00000e+00 0.00000e+00 5.86687e+01 155.829 1.46148e+02 155.829 0.3242 
1 1 1 2  13 16 o 15 2.93085e+02 1.52192e+01 2.22274e+02 176.297 -1.13682e+01 7.35810e-01  0.00000e+00 0.00000e+00 2.21013e+02 176.297 1.26130e+00 356.297 0.9550 
1 1 1 2  13 17 o 18 1.56661e+02 2.35708e+01 1.04536e+02 149.817 -2.75768e+00 1.60391e+00  0.00000e+00 0.00000e+00 1.01386e+02 149.817 3.15014e+00 329.817 0.8231 
1 1 1 2  13 18 o 19 1.46590e+02 2.47040e+01 1.44134e+02 36.736  3.53678e+00  2.63970e+00  0.00000e+00 0.00000e+00 6.31550e+01 36.736  8.09795e+01 216.736 0.8777 
1 1 1 2  13 19 o 4  6.90320e+01 2.81308e+01 8.42986e+01 327.411 1.17435e+00  -7.50712e-01 0.00000e+00 0.00000e+00 2.04507e+01 147.411 1.04749e+02 147.411 0.5688 
1 1 1 2  13 20 o 19 9.29070e+01 3.34604e+01 1.42719e+01 127.238 -1.64703e-01 2.16692e-01  0.00000e+00 0.00000e+00 6.30225e+00 127.238 7.96968e+00 307.238 0.1348 
1 1 1 2  13 21 o 12 2.55099e+02 2.52000e+01 1.57337e+02 221.052 -5.38640e+00 -4.69085e+00 0.00000e+00 0.00000e+00 2.35090e+02 221.052 7.77533e+01 221.052 0.9271 
1 1 1 2  13 23 o 7  1.31649e+02 3.83121e+01 5.62408e+01 174.719 -1.37076e+00 1.26697e-01  0.00000e+00 0.00000e+00 6.97537e+01 174.719 1.35129e+01 174.719 0.5641 
1 1 1 2  13 24 o 12 1.21935e+02 3.88022e+01 1.09825e+02 57.279  1.70635e+00  2.65581e+00  0.00000e+00 0.00000e+00 6.20254e+01 57.279  4.78001e+01 237.279 0.8209 
1 1 1 2  13 25 o 6  2.23807e+02 3.00729e+01 1.08105e+02 332.091 6.84318e+00  -3.62459e+00 0.00000e+00 0.00000e+00 2.54835e+02 332.091 1.46730e+02 332.091 0.9330 
1 1 1 2  13 26 o 3  3.11853e+02 3.59591e+01 2.30415e+02 200.644 -2.03155e+01 -7.65380e+00 0.00000e+00 0.00000e+00 3.05839e+02 200.644 7.54241e+01 200.644 0.9767 
1 1 1 2  13 27 o 17 6.62976e+01 3.12290e+01 1.97589e+01 190.218 -5.17677e-01 -9.33102e-02 0.00000e+00 0.00000e+00 1.03251e+01 190.218 9.43385e+00 10.218  0.2543 
1 1 1 2  13 28 o 4  9.82152e+01 3.35842e+01 7.27953e+01 110.311 -1.04859e+00 2.83306e+00  0.00000e+00 0.00000e+00 7.14059e+01 110.311 1.38946e+00 290.311 0.8115 
1 1 1 2  13 29 o 13 8.55350e+01 3.57399e+01 3.61711e+01 228.133 -9.00292e-01 -1.00455e+00 0.00000e+00 0.00000e+00 5.11971e+01 228.133 1.50259e+01 228.133 0.5565 
1 1 1 2  13 30 o 11 5.74474e+01 2.67890e+01 3.18340e+01 262.501 -1.47706e-01 -1.12202e+00 0.00000e+00 0.00000e+00 2.07251e+01 262.501 1.11089e+01 82.501  0.4911 
1 1 1 2  13 31 o 12 1.13628e+02 3.72530e+01 7.95296e+01 315.322 3.12104e+00  -3.08619e+00 0.00000e+00 0.00000e+00 1.08989e+02 315.322 2.94591e+01 315.322 0.8770 
1 1 1 2  13 32 o 14 8.55876e+01 3.53965e+01 6.83110e+01 10.031  3.46429e+00  6.12756e-01  0.00000e+00 0.00000e+00 7.02117e+01 10.031  1.90069e+00 10.031  0.8420 
1 1 1 2  13 33 o 6  6.14853e+01 2.92675e+01 4.22628e+01 137.253 -1.53562e+00 1.41938e+00  0.00000e+00 0.00000e+00 4.32948e+01 137.253 1.03205e+00 137.253 0.7122 
1 1 1 2  13 34 o 5  6.84797e+01 3.24206e+01 5.80131e+01 231.023 -1.79292e+00 -2.21588e+00 0.00000e+00 0.00000e+00 5.06178e+01 231.023 7.39529e+00 51.023  0.7983 
1 1 1 2  13 35 o 16 6.45062e+01 3.10770e+01 2.21878e+01 13.524  1.12690e+00  2.71047e-01  0.00000e+00 0.00000e+00 4.30175e+01 13.524  2.08297e+01 13.524  0.4999 
1 1 1 2  13 36 o 9  4.72188e+01 2.40194e+01 2.03108e+01 54.939  7.45396e-01  1.06212e+00  0.00000e+00 0.00000e+00 3.23705e+01 54.939  1.20598e+01 54.939  0.5420 
1 1 1 2  13 37 o 13 5.38001e+01 2.71254e+01 1.03813e+01 190.463 -6.10322e-01 -1.12704e-01 0.00000e+00 0.00000e+00 2.30416e+01 190.463 1.26603e+01 190.463 0.2963 
1 1 1 2  14 0  o 5  1.32333e+02 1.50503e+01 4.51677e+01 180.000 -2.14608e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.03723e+00 0.000   4.82050e+01 0.000   0.2114 
1 1 1 2  14 1  o 16 7.20922e+02 1.67634e+01 5.85469e+02 174.124 -2.97704e+01 3.06398e+00  0.00000e+00 0.00000e+00 4.82352e+02 174.124 1.03116e+02 354.124 0.9831 
1 1 1 2  14 2  o 1  3.20249e+02 1.09296e+01 2.29816e+02 101.800 -1.06480e+00 5.09699e+00  0.00000e+00 0.00000e+00 2.03765e+02 101.800 2.60520e+01 281.800 0.8980 
1 1 1 2  14 3  o 9  3.40151e+02 1.12094e+01 3.79219e+02 328.252 7.62110e+00  -4.71567e+00 0.00000e+00 0.00000e+00 1.04722e+02 328.252 2.74497e+02 148.252 0.9424 
1 1 1 2  14 4  o 5  1.19518e+02 1.26010e+01 1.42442e+02 36.486  1.08946e+00  8.05749e-01  0.00000e+00 0.00000e+00 4.15492e+01 216.486 1.83992e+02 216.486 0.5582 
1 1 1 2  14 5  o 2  3.84410e+02 1.61687e+01 1.70866e+02 326.130 4.18681e+00  -2.81027e+00 0.00000e+00 0.00000e+00 3.50241e+02 326.130 1.79375e+02 326.130 0.8944 
1 1 1 2  14 6  f 0  7.83434e+02 2.09669e+01 3.94996e+02 73.825  8.69451e+00  2.99750e+01  0.00000e+00 0.00000e+00 7.76536e+02 73.825  3.81539e+02 73.825  0.9838 
1 1 1 2  14 7  o 12 6.72140e+02 1.88945e+01 4.32549e+02 100.429 -5.13779e+00 2.79127e+01  0.00000e+00 0.00000e+00 5.74190e+02 100.429 1.41641e+02 100.429 0.9822 
1 1 1 2  14 8  o 4  4.57328e+02 1.46919e+01 3.12989e+02 226.405 -1.00308e+01 -1.05350e+01 0.00000e+00 0.00000e+00 3.62538e+02 226.405 4.95491e+01 226.405 0.9650 
1 1 1 2  14 9  o 8  1.70485e+02 1.56731e+01 2.29438e+02 200.413 -3.67660e+00 -1.36825e+00 0.00000e+00 0.00000e+00 3.91802e+00 20.413  2.33357e+02 20.413  0.8605 
1 1 1 2  14 10 o 17 4.61618e+02 1.50236e+01 2.47792e+02 102.083 -3.07852e+00 1.43812e+01  0.00000e+00 0.00000e+00 4.40565e+02 102.083 1.92773e+02 102.083 0.9654 
1 1 1 2  14 11 o 1  4.02279e+02 1.42323e+01 2.25201e+02 356.190 1.04489e+01  -6.95791e-01 0.00000e+00 0.00000e+00 3.68863e+02 356.190 1.43662e+02 356.190 0.9510 
1 1 1 2  14 12 o 12 4.69497e+02 1.54748e+01 3.21378e+02 271.798 6.66625e-01  -2.12350e+01 0.00000e+00 0.00000e+00 3.94457e+02 271.798 7.30790e+01 271.798 0.9762 
1 1 1 2  14 13 o 2  2.92466e+02 1.38353e+01 2.80588e+02 152.354 -1.18152e+01 6.18887e+00  0.00000e+00 0.00000e+00 1.61520e+02 152.354 1.19068e+02 332.354 0.9618 
1 1 1 2  14 14 o 13 3.94762e+01 1.72578e+01 7.00888e+01 140.935 -3.09231e-01 2.50995e-01  0.00000e+00 0.00000e+00 5.78887e+01 320.935 1.27978e+02 320.935 0.1953 
1 1 1 2  14 15 o 19 1.99261e+02 2.28405e+01 1.43609e+02 105.975 -1.33129e+00 4.65040e+00  0.00000e+00 0.00000e+00 1.38927e+02 105.975 4.68236e+00 285.975 0.8895 
1 1 1 2  14 16 o 12 1.85834e+02 1.69663e+01 1.75922e+02 203.214 -6.16128e+00 -2.64249e+00 0.00000e+00 0.00000e+00 9.93799e+01 203.214 7.65417e+01 23.214  0.9221 
1 1 1 2  14 17 o 1  1.69189e+02 2.75398e+01 7.92585e+01 10.644  2.71281e+00  5.09830e-01  0.00000e+00 0.00000e+00 1.37436e+02 10.644  5.81775e+01 10.644  0.7906 
1 1 1 2  14 18 o 4  2.01787e+02 2.18946e+01 6.06207e+01 275.179 2.42149e-01  -2.67152e+00 0.00000e+00 0.00000e+00 1.97772e+02 275.179 1.37151e+02 275.179 0.7835 
1 1 1 2  14 19 o 9  6.41416e+01 2.75362e+01 3.29731e+01 146.264 -3.92283e-01 2.61977e-01  0.00000e+00 0.00000e+00 8.68453e+00 326.264 4.16576e+01 326.264 0.2295 
1 1 1 2  14 20 o 1  8.65027e+01 3.34781e+01 5.76876e+01 65.579  4.38660e-01  9.66098e-01  0.00000e+00 0.00000e+00 9.70135e+00 65.579  4.79862e+01 245.579 0.4676 
1 1 1 2  14 21 o 12 2.94879e+02 2.37700e+01 2.22440e+02 256.687 -2.90665e+00 -1.22834e+01 0.00000e+00 0.00000e+00 2.53863e+02 256.687 3.14224e+01 256.687 0.9595 
1 1 1 2  14 22 o 2  4.39480e+02 3.78830e+01 2.42423e+02 86.051  1.39153e+00  2.01597e+01  0.00000e+00 0.00000e+00 4.86704e+02 86.051  2.44281e+02 86.051  0.9749 
1 1 1 2  14 23 o 19 2.15012e+02 2.95851e+01 1.15716e+02 111.274 -2.17150e+00 5.57719e+00  0.00000e+00 0.00000e+00 2.21830e+02 111.274 1.06114e+02 111.274 0.9121 
1 1 1 2  14 24 o 3  1.74182e+02 5.10958e+01 1.08012e+02 220.161 -2.89945e+00 -2.44686e+00 0.00000e+00 0.00000e+00 1.51397e+02 220.161 4.33850e+01 220.161 0.8551 
1 1 1 2  14 25 o 17 1.78133e+02 3.31210e+01 8.17417e+01 170.942 -4.50647e+00 7.18459e-01  0.00000e+00 0.00000e+00 1.95350e+02 170.942 1.13608e+02 170.942 0.8822 
1 1 1 2  14 26 o 10 1.29673e+02 4.28697e+01 4.51358e+01 276.827 2.08043e-01  -1.73786e+00 0.00000e+00 0.00000e+00 1.05922e+02 276.827 6.07864e+01 276.827 0.6522 
1 1 1 2  14 27 o 7  9.22803e+01 3.41976e+01 1.47080e+02 61.496  2.35664e+00  4.33962e+00  0.00000e+00 0.00000e+00 1.91117e+00 61.496  1.45169e+02 241.496 0.8919 
1 1 1 2  14 28 o 15 8.32676e+01 3.64087e+01 5.86480e+01 237.486 -1.10652e+00 -1.73594e+00 0.00000e+00 0.00000e+00 4.94314e+01 237.486 9.21668e+00 57.486  0.7072 
1 1 1 2  14 29 o 1  1.05427e+02 3.82660e+01 1.50527e+01 291.486 2.27260e-01  -5.77339e-01 0.00000e+00 0.00000e+00 4.30935e+01 291.486 2.80409e+01 291.486 0.2962 
1 1 1 2  14 30 o 3  6.46182e+01 2.93364e+01 4.46979e+01 170.659 -1.76503e+00 2.90320e-01  0.00000e+00 0.00000e+00 3.58858e+01 170.659 8.81206e+00 350.659 0.6598 
1 1 1 2  14 31 o 17 7.60013e+01 3.30843e+01 4.95148e+01 308.407 1.43551e+00  -1.81068e+00 0.00000e+00 0.00000e+00 5.88242e+01 308.407 9.30945e+00 308.407 0.7427 
1 1 1 2  14 32 o 13 7.03359e+01 3.20341e+01 1.28472e+01 1.230   6.40495e-01  1.37483e-02  0.00000e+00 0.00000e+00 2.89760e+01 1.230   1.61287e+01 1.230   0.3049 
1 1 1 2  14 33 o 6  6.11978e+01 2.94132e+01 2.62314e+01 164.002 -1.26029e+00 3.61333e-01  0.00000e+00 0.00000e+00 3.99825e+01 164.002 1.37511e+01 164.002 0.5458 
1 1 1 2  14 34 f 0  6.30479e+01 3.02622e+01 2.67151e+01 333.210 1.29287e+00  -6.52805e-01 0.00000e+00 0.00000e+00 4.73986e+01 333.210 2.06835e+01 333.210 0.5831 
1 1 1 2  14 35 o 12 6.82246e+01 3.27876e+01 6.90702e+00 190.274 -3.60275e-01 -6.53022e-02 0.00000e+00 0.00000e+00 1.82946e+01 190.274 1.13875e+01 190.274 0.1801 
1 1 1 2  14 36 o 14 5.07197e+01 2.56196e+01 2.77382e+01 128.071 -1.04047e+00 1.32835e+00  0.00000e+00 0.00000e+00 3.99628e+01 128.071 1.22246e+01 128.071 0.6391 
1 1 1 2  14 37 o 3  4.91033e+01 2.49881e+01 1.22594e+01 261.410 -1.16416e-01 -7.70667e-01 0.00000e+00 0.00000e+00 2.56390e+01 261.410 1.33795e+01 261.410 0.3628 
1 1 1 2  15 0  o 18 7.01498e+01 2.04067e+01 4.50843e+01 0.000   1.64804e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.75582e+01 180.000 7.26425e+01 180.000 0.1633 
1 1 1 2  15 1  o 17 5.37471e+02 1.38667e+01 3.84105e+02 10.501  2.11157e+01  3.91390e+00  0.00000e+00 0.00000e+00 4.18872e+02 10.501  3.47678e+01 10.501  0.9764 
1 1 1 2  15 2  o 17 1.37985e+02 1.02203e+01 1.14596e+02 118.695 -7.87914e-01 1.43946e+00  0.00000e+00 0.00000e+00 1.83237e+01 118.695 9.62721e+01 298.695 0.6291 
1 1 1 2  15 3  o 9  2.95270e+02 1.07632e+01 3.13799e+02 303.889 5.27489e+00  -7.85302e+00 0.00000e+00 0.00000e+00 1.14252e+02 303.889 1.99548e+02 123.889 0.9456 
1 1 1 2  15 4  o 1  5.25068e+01 1.69825e+01 6.76038e+01 123.694 -1.94295e-01 2.91395e-01  0.00000e+00 0.00000e+00 5.36942e+01 303.694 1.21298e+02 303.694 0.1725 
1 1 1 2  15 5  f 0  3.21406e+02 1.33161e+01 2.39400e+02 226.988 -5.47255e+00 -5.86607e+00 0.00000e+00 0.00000e+00 2.23404e+02 226.988 1.59966e+01 46.988  0.9354 
1 1 1 2  15 6  o 10 4.53450e+02 1.28711e+01 2.21005e+02 287.749 3.09163e+00  -9.65906e+00 0.00000e+00 0.00000e+00 4.43488e+02 287.749 2.22483e+02 287.749 0.9493 
1 1 1 2  15 7  o 12 3.68278e+02 1.66653e+01 2.19147e+02 326.891 6.78406e+00  -4.42392e+00 0.00000e+00 0.00000e+00 3.14732e+02 326.891 9.55853e+01 326.891 0.9361 
1 1 1 2  15 8  o 18 5.71380e+02 1.68051e+01 3.13576e+02 346.287 2.25449e+01  -5.50120e+00 0.00000e+00 0.00000e+00 5.55311e+02 346.287 2.41735e+02 346.287 0.9782 
1 1 1 2  15 9  o 12 8.05349e+01 1.48683e+01 3.66208e+01 110.555 -1.22147e-01 3.25748e-01  0.00000e+00 0.00000e+00 1.50740e+01 290.555 5.16949e+01 290.555 0.1714 
1 1 1 2  15 10 o 14 3.14214e+02 1.61864e+01 1.80064e+02 115.377 -3.50651e+00 7.39221e+00  0.00000e+00 0.00000e+00 2.81667e+02 115.377 1.01603e+02 115.377 0.9367 
1 1 1 2  15 11 o 1  2.78101e+02 1.54347e+01 1.54687e+02 311.505 4.77280e+00  -5.39364e+00 0.00000e+00 0.00000e+00 2.52195e+02 311.505 9.75080e+01 311.505 0.9277 
1 1 1 2  15 12 o 6  2.48572e+02 1.36283e+01 1.78448e+02 172.909 -8.04361e+00 1.00062e+00  0.00000e+00 0.00000e+00 1.90654e+02 172.909 1.22062e+01 172.909 0.9361 
1 1 1 2  15 13 o 10 8.57460e+01 1.94438e+01 1.39339e+02 244.899 -7.19439e-01 -1.53576e+00 0.00000e+00 0.00000e+00 5.16078e+01 64.899  1.90947e+02 64.899  0.6410 
1 1 1 2  15 14 o 19 7.67274e+01 2.14661e+01 1.56837e+02 25.977  2.31814e+00  1.12947e+00  0.00000e+00 0.00000e+00 6.14798e+01 205.977 2.18317e+02 205.977 0.7733 
1 1 1 2  15 15 o 11 3.64312e+02 1.54743e+01 2.84725e+02 145.551 -1.77313e+01 1.21631e+01  0.00000e+00 0.00000e+00 2.91202e+02 145.551 6.47782e+00 145.551 0.9765 
1 1 1 2  15 16 o 1  1.27925e+02 3.78695e+01 5.92578e+01 330.160 1.22076e+00  -7.00256e-01 0.00000e+00 0.00000e+00 6.02162e+01 330.160 9.58398e-01 330.160 0.5724 
1 1 1 2  15 17 o 11 8.23008e+01 2.94904e+01 3.76203e+01 27.658  5.65950e-01  2.96598e-01  0.00000e+00 0.00000e+00 3.57309e+00 27.658  3.40472e+01 207.658 0.3042 
1 1 1 2  15 18 f 0  2.74304e+02 2.65743e+01 1.27746e+02 278.263 1.14458e+00  -7.88157e+00 0.00000e+00 0.00000e+00 2.97944e+02 278.263 1.70198e+02 278.263 0.9349 
1 1 1 2  15 19 o 19 2.67095e+02 2.22379e+01 1.92687e+02 18.175  1.18312e+01  3.88414e+00  0.00000e+00 0.00000e+00 2.36456e+02 18.175  4.37687e+01 18.175  0.9590 
1 1 1 2  15 20 o 9  1.13321e+02 3.42129e+01 5.31657e+01 151.966 -9.42918e-01 5.02076e-01  0.00000e+00 0.00000e+00 3.69630e+01 151.966 1.62027e+01 331.966 0.4701 
1 1 1 2  15 21 o 8  2.14535e+02 4.81708e+01 1.24609e+02 257.848 -9.06841e-01 -4.21126e+00 0.00000e+00 0.00000e+00 1.96091e+02 257.848 7.14819e+01 257.848 0.8744 
1 1 1 2  15 22 o 9  2.56443e+02 2.66317e+01 1.53473e+02 157.864 -7.77295e+00 3.16193e+00  0.00000e+00 0.00000e+00 2.62409e+02 157.864 1.08936e+02 157.864 0.9384 
1 1 1 2  15 23 o 14 2.94027e+02 3.82306e+01 1.79508e+02 355.637 1.34475e+01  -1.02601e+00 0.00000e+00 0.00000e+00 3.15002e+02 355.637 1.35495e+02 355.637 0.9622 
1 1 1 2  15 24 o 18 1.99701e+02 3.12125e+01 8.33231e+01 340.815 4.64992e+00  -1.61792e+00 0.00000e+00 0.00000e+00 2.31608e+02 340.815 1.48285e+02 340.815 0.8916 
1 1 1 2  15 25 o 8  2.70875e+02 3.77371e+01 1.70633e+02 195.891 -1.50956e+01 -4.29749e+00 0.00000e+00 0.00000e+00 2.98732e+02 195.891 1.28099e+02 195.891 0.9676 
1 1 1 2  15 26 o 1  7.83186e+01 3.28235e+01 7.10869e+01 68.062  8.03726e-01  1.99549e+00  0.00000e+00 0.00000e+00 3.13603e+01 68.062  3.97266e+01 248.062 0.7211 
1 1 1 2  15 27 o 15 7.22275e+01 2.95256e+01 2.52193e+01 335.003 7.84760e-01  -3.65889e-01 0.00000e+00 0.00000e+00 2.74753e+01 335.003 2.25604e+00 335.003 0.3969 
1 1 1 2  15 29 o 3  5.66874e+01 2.66623e+01 3.22382e+01 171.372 -1.19225e+00 1.80908e-01  0.00000e+00 0.00000e+00 2.29266e+01 171.372 9.31167e+00 351.372 0.5146 
1 1 1 2  15 30 o 5  8.18348e+01 3.39099e+01 5.25702e+01 261.945 -3.47824e-01 -2.45765e+00 0.00000e+00 0.00000e+00 6.72826e+01 261.945 1.47124e+01 261.945 0.7630 
1 1 1 2  15 31 o 15 5.42457e+01 2.64121e+01 6.82008e+01 109.163 -1.07308e+00 3.08782e+00  0.00000e+00 0.00000e+00 1.93520e+01 109.163 4.88488e+01 289.163 0.8281 
1 1 1 2  15 32 o 13 5.94333e+01 2.86862e+01 6.55080e+01 170.034 -3.15581e+00 5.54531e-01  0.00000e+00 0.00000e+00 3.14778e+01 170.034 3.40302e+01 350.034 0.8240 
1 1 1 2  15 33 o 3  6.37862e+01 3.04524e+01 7.83091e+01 266.890 -2.12095e-01 -3.90334e+00 0.00000e+00 0.00000e+00 3.21124e+01 266.890 4.61967e+01 86.890  0.8599 
1 1 1 2  15 34 f 0  5.33489e+01 2.64759e+01 5.14504e+01 36.847  2.25939e+00  1.69313e+00  0.00000e+00 0.00000e+00 3.54966e+01 36.847  1.59538e+01 216.847 0.7960 
1 1 1 2  15 35 o 2  7.34274e+01 3.44440e+01 1.04746e+01 36.389  4.33592e-01  3.19546e-01  0.00000e+00 0.00000e+00 2.92974e+01 36.389  1.88228e+01 36.389  0.2600 
1 1 1 2  15 36 o 1  6.17473e+01 3.04735e+01 3.61774e+01 217.007 -1.60525e+00 -1.20994e+00 0.00000e+00 0.00000e+00 5.54233e+01 217.007 1.92459e+01 217.007 0.6994 
1 1 1 2  16 0  o 1  9.88393e+02 3.08000e+01 6.38122e+02 180.000 -3.14053e+01 0.00000e+00  0.00000e+00 0.00000e+00 8.98984e+02 180.000 2.60863e+02 180.000 1.0000 
1 1 1 2  16 1  o 7  3.62446e+02 1.16121e+01 2.26067e+02 18.715  7.91527e+00  2.68150e+00  0.00000e+00 0.00000e+00 3.02843e+02 18.715  7.67764e+01 18.715  0.9381 
1 1 1 2  16 2  o 3  5.34564e+02 1.61663e+01 5.07752e+02 292.752 1.08873e+01  -2.59606e+01 0.00000e+00 0.00000e+00 3.09502e+02 292.752 1.98250e+02 112.752 0.9821 
1 1 1 2  16 3  o 14 2.33244e+02 1.05845e+01 2.83320e+02 190.621 -6.72761e+00 -1.26164e+00 0.00000e+00 0.00000e+00 5.25168e+01 190.621 2.30803e+02 10.621  0.9238 
1 1 1 2  16 4  o 18 3.29029e+02 1.31616e+01 2.27577e+02 70.923  2.47670e+00  7.16161e+00  0.00000e+00 0.00000e+00 2.50974e+02 70.923  2.33965e+01 70.923  0.9315 
1 1 1 2  16 5  o 10 2.55359e+02 1.29479e+01 1.28643e+02 93.562  -2.71584e-01 4.36298e+00  0.00000e+00 0.00000e+00 2.21607e+02 93.562  9.29646e+01 93.562  0.8764 
1 1 1 2  16 6  o 6  3.17054e+02 1.76089e+01 1.73322e+02 168.014 -6.86347e+00 1.45706e+00  0.00000e+00 0.00000e+00 2.87282e+02 168.014 1.13961e+02 168.014 0.9257 
1 1 1 2  16 7  o 8  3.79397e+02 1.62092e+01 1.91392e+02 228.283 -5.67024e+00 -6.36035e+00 0.00000e+00 0.00000e+00 3.69733e+02 228.283 1.78341e+02 228.283 0.9393 
1 1 1 2  16 8  o 7  3.08436e+02 2.46575e+01 2.19107e+02 248.409 -3.48510e+00 -8.80625e+00 0.00000e+00 0.00000e+00 2.41862e+02 248.409 2.27550e+01 248.409 0.9456 
1 1 1 2  16 9  o 9  8.54935e+01 1.46287e+01 1.66340e+02 82.346  3.23226e-01  2.40507e+00  0.00000e+00 0.00000e+00 6.36451e+01 262.346 2.29985e+02 262.346 0.7568 
1 1 1 2  16 10 f 0  2.55859e+02 1.60357e+01 8.31650e+01 208.010 -3.06868e+00 -1.63236e+00 0.00000e+00 0.00000e+00 2.59539e+02 208.010 1.76374e+02 208.010 0.8398 
1 1 1 2  16 11 o 2  1.80687e+02 1.35418e+01 5.45628e+01 278.155 2.09061e-01  -1.45893e+00 0.00000e+00 0.00000e+00 1.16245e+02 278.155 6.16822e+01 278.155 0.5896 
1 1 1 2  16 12 o 16 3.57391e+02 1.69369e+01 2.05494e+02 129.374 -8.40883e+00 1.02465e+01  0.00000e+00 0.00000e+00 3.48674e+02 129.374 1.43180e+02 129.374 0.9615 
1 1 1 2  16 13 o 15 4.40978e+02 1.90209e+01 3.21783e+02 28.329  2.70324e+01  1.45734e+01  0.00000e+00 0.00000e+00 3.82117e+02 28.329  6.03340e+01 28.329  0.9836 
1 1 1 2  16 14 o 12 9.81649e+01 2.03823e+01 8.16600e+01 157.067 -1.48139e+00 6.26780e-01  0.00000e+00 0.00000e+00 1.80811e+01 157.067 6.35789e+01 337.067 0.6218 
1 1 1 2  16 15 o 1  1.70902e+02 1.68428e+01 1.63209e+02 210.518 -5.40313e+00 -3.18504e+00 0.00000e+00 0.00000e+00 9.45665e+01 210.518 6.86425e+01 30.519  0.9164 
1 1 1 2  16 16 o 11 8.59422e+01 3.69850e+01 1.22428e+02 90.780  -2.72999e-02 2.00435e+00  0.00000e+00 0.00000e+00 2.28429e+01 270.780 1.45271e+02 270.780 0.6985 
1 1 1 2  16 17 o 11 1.96418e+02 2.20594e+01 1.37800e+02 213.500 -5.37961e+00 -3.56070e+00 0.00000e+00 0.00000e+00 1.64090e+02 213.500 2.62891e+01 213.500 0.9188 
1 1 1 2  16 19 o 5  1.55205e+02 2.94044e+01 8.64701e+00 98.847  -3.86895e-02 2.48583e-01  0.00000e+00 0.00000e+00 2.43474e+01 98.847  1.57004e+01 98.847  0.1248 
1 1 1 2  16 20 o 12 3.52455e+02 2.26877e+01 1.98295e+02 195.132 -1.46317e+01 -3.95673e+00 0.00000e+00 0.00000e+00 3.87648e+02 195.132 1.89352e+02 195.132 0.9664 
1 1 1 2  16 22 o 3  9.91328e+01 3.58318e+01 2.90994e+01 173.807 -7.10388e-01 7.70889e-02  0.00000e+00 0.00000e+00 2.94704e+01 173.807 3.71029e-01 173.807 0.3363 
1 1 1 2  16 23 o 18 9.82229e+01 3.65320e+01 5.82057e+01 292.448 6.26727e-01  -1.51696e+00 0.00000e+00 0.00000e+00 5.16180e+01 292.448 6.58767e+00 112.448 0.6292 
1 1 1 2  16 24 o 2  1.01828e+02 3.57747e+01 3.97514e+01 206.547 -1.10488e+00 -5.52000e-01 0.00000e+00 0.00000e+00 5.61131e+01 206.547 1.63617e+01 206.547 0.5235 
1 1 1 2  16 25 o 4  1.12054e+02 3.60634e+01 8.08124e+01 350.105 3.25544e+00  -5.67866e-01 0.00000e+00 0.00000e+00 8.85577e+01 350.105 7.74530e+00 350.105 0.8302 
1 1 1 2  16 26 o 9  9.16370e+01 3.22099e+01 5.11828e+01 183.541 -2.06354e+00 -1.27678e-01 0.00000e+00 0.00000e+00 6.85604e+01 183.541 1.73775e+01 183.541 0.7086 
1 1 1 2  16 27 o 11 1.23314e+02 3.36468e+01 1.09317e+02 242.411 -2.90577e+00 -5.56073e+00 0.00000e+00 0.00000e+00 1.01897e+02 242.411 7.41980e+00 62.411  0.9164 
1 1 1 2  16 29 o 15 6.04282e+01 2.80355e+01 1.30135e+01 154.880 -4.59563e-01 2.15469e-01  0.00000e+00 0.00000e+00 1.55598e+01 154.880 2.54626e+00 154.880 0.2459 
1 1 1 2  16 30 o 4  6.14356e+01 2.89652e+01 5.90715e+01 90.436  -1.98782e-02 2.60979e+00  0.00000e+00 0.00000e+00 3.40108e+01 90.436  2.50607e+01 270.436 0.7764 
1 1 1 2  16 31 o 8  6.49974e+01 3.06706e+01 5.80301e+01 85.466  2.20012e-01  2.77468e+00  0.00000e+00 0.00000e+00 4.40575e+01 85.466  1.39726e+01 265.466 0.7926 
1 1 1 2  16 32 o 2  7.26396e+01 3.31096e+01 1.02919e+01 119.065 -2.47774e-01 4.45794e-01  0.00000e+00 0.00000e+00 2.58411e+01 119.065 1.55492e+01 119.065 0.2471 
1 1 1 2  16 33 o 6  5.87630e+01 2.85899e+01 1.67450e+01 349.566 9.01909e-01  -1.66082e-01 0.00000e+00 0.00000e+00 3.33141e+01 349.566 1.65690e+01 349.566 0.4162 
1 1 1 2  16 34 o 9  5.29117e+01 2.63693e+01 2.63996e+01 214.178 -1.27637e+00 -8.66699e-01 0.00000e+00 0.00000e+00 4.04025e+01 214.178 1.40029e+01 214.178 0.6065 
1 1 1 2  16 35 o 16 5.46792e+01 2.73839e+01 9.40022e+00 130.254 -3.53211e-01 4.17172e-01  0.00000e+00 0.00000e+00 2.11262e+01 130.254 1.17260e+01 130.254 0.2636 
1 1 1 2  16 36 o 14 4.87939e+01 2.47445e+01 7.08872e+00 124.561 -2.55918e-01 3.71522e-01  0.00000e+00 0.00000e+00 1.60602e+01 124.561 8.97153e+00 124.561 0.2200 
1 1 1 2  17 0  o 17 7.72119e+02 2.54477e+01 4.40637e+02 0.000   2.17493e+01  0.00000e+00  0.00000e+00 0.00000e+00 7.81442e+02 0.000   3.40804e+02 0.000   1.0000 
1 1 1 2  17 1  o 10 3.76960e+02 1.19673e+01 1.74487e+02 163.444 -8.19121e+00 2.43508e+00  0.00000e+00 0.00000e+00 3.86211e+02 163.444 2.11724e+02 163.444 0.9395 
1 1 1 2  17 2  o 2  3.64748e+02 1.17974e+01 2.64445e+02 205.629 -1.05751e+01 -5.07339e+00 0.00000e+00 0.00000e+00 2.88234e+02 205.629 2.37892e+01 205.629 0.9564 
1 1 1 2  17 3  o 18 3.10754e+02 1.12219e+01 1.64202e+02 136.526 -4.45584e+00 4.22464e+00  0.00000e+00 0.00000e+00 2.86609e+02 136.526 1.22408e+02 136.526 0.9145 
1 1 1 2  17 4  o 18 4.02000e+02 1.42405e+01 2.57953e+02 122.397 -6.53134e+00 1.02930e+01  0.00000e+00 0.00000e+00 3.54097e+02 122.397 9.61435e+01 122.397 0.9581 
1 1 1 2  17 5  f 0  8.13344e+02 2.20026e+01 5.12064e+02 313.237 4.09134e+01  -4.35116e+01 0.00000e+00 0.00000e+00 7.72515e+02 313.237 2.60452e+02 313.237 0.9916 
1 1 1 2  17 6  o 4  3.33656e+02 1.29286e+01 3.15279e+02 38.845  1.19056e+01  9.58768e+00  0.00000e+00 0.00000e+00 1.99897e+02 38.845  1.15382e+02 218.845 0.9667 
1 1 1 2  17 7  o 17 1.14846e+02 1.19869e+01 1.08507e+02 119.161 -1.04124e+00 1.86604e+00  0.00000e+00 0.00000e+00 2.38170e+01 119.161 8.46899e+01 299.161 0.7190 
1 1 1 2  17 8  o 8  4.60821e+02 1.88218e+01 1.91879e+02 280.666 2.99527e+00  -1.59039e+01 0.00000e+00 0.00000e+00 5.26078e+02 280.666 3.34199e+02 280.666 0.9686 
1 1 1 2  17 9  o 12 8.76721e+01 1.52153e+01 1.68839e+02 188.409 -2.64359e+00 -3.90814e-01 0.00000e+00 0.00000e+00 5.80140e+01 8.409   2.26853e+02 8.409   0.7825 
1 1 1 2  17 10 o 16 3.13915e+02 1.67183e+01 9.09735e+01 47.140  2.80579e+00  3.02367e+00  0.00000e+00 0.00000e+00 3.51390e+02 47.140  2.60416e+02 47.140  0.8682 
1 1 1 2  17 12 o 14 3.50468e+01 1.47170e+01 6.12760e+01 148.795 -3.92126e-01 2.37529e-01  0.00000e+00 0.00000e+00 4.84250e+01 328.795 1.09701e+02 328.795 0.2234 
1 1 1 2  17 13 o 18 1.33197e+02 1.64457e+01 1.62249e+02 32.007  4.15276e+00  2.59564e+00  0.00000e+00 0.00000e+00 3.37572e+01 32.007  1.28491e+02 212.007 0.8909 
1 1 1 2  17 14 o 1  1.21281e+02 1.88383e+01 1.39523e+02 180.621 -3.73557e+00 -4.04772e-02 0.00000e+00 0.00000e+00 3.24209e+01 180.621 1.07102e+02 0.621   0.8525 
1 1 1 2  17 15 o 11 1.62616e+02 4.01764e+01 1.57030e+02 197.352 -5.08562e+00 -1.58907e+00 0.00000e+00 0.00000e+00 8.82660e+01 197.352 6.87641e+01 17.352  0.9005 
1 1 1 2  17 16 o 11 1.72480e+02 4.25804e+01 6.72437e+01 318.703 1.64019e+00  -1.44081e+00 0.00000e+00 0.00000e+00 1.44071e+02 318.703 7.68271e+01 318.703 0.7257 
1 1 1 2  17 17 o 2  2.10836e+02 2.16726e+01 2.47390e+02 345.536 1.24134e+01  -3.20210e+00 0.00000e+00 0.00000e+00 9.72438e+01 345.536 1.50147e+02 165.536 0.9602 
1 1 1 2  17 18 o 11 4.87147e+02 2.22058e+01 2.79444e+02 81.299  4.12675e+00  2.69664e+01  0.00000e+00 0.00000e+00 5.41754e+02 81.299  2.62310e+02 81.299  0.9815 
1 1 1 2  17 19 o 1  1.63247e+02 2.99226e+01 1.06437e+02 162.333 -3.37396e+00 1.07466e+00  0.00000e+00 0.00000e+00 1.32198e+02 162.333 2.57603e+01 162.333 0.8432 
1 1 1 2  17 20 o 12 2.46473e+02 2.42589e+01 1.50728e+02 270.927 1.33873e-01  -8.27079e+00 0.00000e+00 0.00000e+00 2.53792e+02 270.927 1.03065e+02 270.927 0.9374 
1 1 1 2  17 21 o 18 6.48299e+01 2.91684e+01 8.31400e-01 144.779 -1.21440e-02 8.57318e-03  0.00000e+00 0.00000e+00 2.09534e-02 144.779 8.10447e-01 324.779 0.0074 
1 1 1 2  17 22 o 12 2.42015e+02 4.47275e+01 1.65508e+02 344.719 9.52884e+00  -2.60339e+00 0.00000e+00 0.00000e+00 2.44741e+02 344.719 7.92327e+01 344.719 0.9479 
1 1 1 2  17 23 o 2  5.46236e+01 2.59417e+01 4.07552e+01 146.794 -6.64994e-01 4.35259e-01  0.00000e+00 0.00000e+00 4.30117e+00 326.794 4.50564e+01 326.794 0.3690 
1 1 1 2  17 24 o 2  9.91646e+01 3.53144e+01 7.74984e+01 188.387 -2.84381e+00 -4.19284e-01 0.00000e+00 0.00000e+00 6.77423e+01 188.387 9.75611e+00 8.387   0.8003 
1 1 1 2  17 25 o 14 5.37757e+01 2.54061e+01 4.38721e+01 97.868  -1.43303e-01 1.03701e+00  0.00000e+00 0.00000e+00 2.23796e+00 97.868  4.16341e+01 277.868 0.4627 
1 1 1 2  17 26 o 3  1.06794e+02 3.23301e+01 7.05267e+01 181.527 -3.56790e+00 -9.51101e-02 0.00000e+00 0.00000e+00 9.87767e+01 181.527 2.82500e+01 181.527 0.8446 
1 1 1 2  17 27 o 9  6.83604e+01 2.92477e+01 2.88364e+01 265.390 -8.00823e-02 -9.93209e-01 0.00000e+00 0.00000e+00 2.90451e+01 265.390 2.08648e-01 265.390 0.4451 
1 1 1 2  17 28 o 4  6.60865e+01 3.04470e+01 3.12090e+01 89.119  1.83200e-02  1.19111e+00  0.00000e+00 0.00000e+00 3.38061e+01 89.119  2.59715e+00 89.119  0.5101 
1 1 1 2  17 29 o 6  6.99584e+01 3.37453e+01 6.47394e+01 256.225 -6.20389e-01 -2.53055e+00 0.00000e+00 0.00000e+00 4.14843e+01 256.225 2.32551e+01 76.225  0.7760 
1 1 1 2  17 30 o 1  5.43238e+01 2.63429e+01 2.42296e+01 357.863 1.15746e+00  -4.31947e-02 0.00000e+00 0.00000e+00 2.96778e+01 357.863 5.44822e+00 357.863 0.4997 
1 1 1 2  17 31 o 7  5.64113e+01 2.74351e+01 2.92312e+01 90.258  -6.57813e-03 1.45939e+00  0.00000e+00 0.00000e+00 3.74308e+01 90.258  8.19954e+00 90.258  0.5859 
1 1 1 2  17 32 o 13 4.79352e+01 2.40883e+01 4.19990e+01 279.764 3.88134e-01  -2.25551e+00 0.00000e+00 0.00000e+00 3.06785e+01 279.764 1.13205e+01 99.764  0.7399 
1 1 1 2  17 33 o 1  8.69102e+01 3.79231e+01 3.62958e+01 45.845  1.25636e+00  1.29400e+00  0.00000e+00 0.00000e+00 8.36787e+01 45.845  4.73829e+01 45.845  0.6627 
1 1 1 2  17 34 o 12 4.53279e+01 2.30913e+01 1.36023e+01 60.633  4.28388e-01  7.61279e-01  0.00000e+00 0.00000e+00 2.47876e+01 60.633  1.11852e+01 60.633  0.3998 
1 1 1 2  17 35 o 8  5.93322e+01 2.94144e+01 2.94175e+01 253.103 -4.79880e-01 -1.57976e+00 0.00000e+00 0.00000e+00 5.13266e+01 253.103 2.19090e+01 253.103 0.6313 
1 1 1 2  18 0  o 7  2.82761e+01 1.79772e+01 1.09705e+02 0.000   2.25322e-01  0.00000e+00  0.00000e+00 0.00000e+00 9.96012e+01 180.000 2.09306e+02 180.000 0.2216 
1 1 1 2  18 1  o 18 9.63141e+01 1.38352e+01 1.70554e+02 172.965 -2.35526e+00 2.90665e-01  0.00000e+00 0.00000e+00 5.39673e+01 352.965 2.24521e+02 352.965 0.7505 
1 1 1 2  18 2  o 10 1.95135e+02 1.12672e+01 1.22074e+02 158.149 -3.86830e+00 1.55123e+00  0.00000e+00 0.00000e+00 1.51862e+02 158.149 2.97883e+01 158.149 0.8697 
1 1 1 2  18 3  o 4  5.16941e+02 1.62188e+01 3.02367e+02 50.395  1.69333e+01  2.04649e+01  0.00000e+00 0.00000e+00 5.17251e+02 50.395  2.14884e+02 50.395  0.9810 
1 1 1 2  18 4  o 3  2.46624e+02 1.70531e+01 1.17978e+02 214.853 -3.98653e+00 -2.77619e+00 0.00000e+00 0.00000e+00 2.37398e+02 214.853 1.19420e+02 214.853 0.8900 
1 1 1 2  18 5  o 1  1.25288e+02 1.66784e+01 7.06819e+01 188.503 -1.62970e+00 -2.43649e-01 0.00000e+00 0.00000e+00 5.75285e+01 188.503 1.31534e+01 8.503   0.6306 
1 1 1 2  18 6  o 2  2.26776e+02 1.58572e+01 1.54285e+02 270.841 9.39550e-02  -6.40220e+00 0.00000e+00 0.00000e+00 1.84555e+02 270.841 3.02706e+01 270.841 0.9182 
1 1 1 2  18 7  o 14 5.06839e+02 1.97287e+01 1.71486e+02 222.386 -9.40018e+00 -8.57931e+00 0.00000e+00 0.00000e+00 6.22785e+02 222.386 4.51299e+02 222.386 0.9599 
1 1 1 2  18 8  o 8  2.61582e+02 1.63892e+01 3.34154e+02 119.218 -7.86171e+00 1.40567e+01  0.00000e+00 0.00000e+00 8.09990e+01 119.218 2.53155e+02 299.218 0.9684 
1 1 1 2  18 9  o 14 6.70505e+01 2.16593e+01 1.08442e+02 304.231 8.94282e-01  -1.31438e+00 0.00000e+00 0.00000e+00 4.02916e+01 124.231 1.48733e+02 124.231 0.6176 
1 1 1 2  18 10 o 5  1.98492e+02 3.24309e+01 1.80450e+02 281.935 1.39456e+00  -6.59747e+00 0.00000e+00 0.00000e+00 1.22383e+02 281.935 5.80661e+01 101.935 0.9225 
1 1 1 2  18 11 o 17 6.93827e+01 2.62514e+01 1.63623e+02 76.084  5.83578e-01  2.35528e+00  0.00000e+00 0.00000e+00 7.63301e+01 256.084 2.39953e+02 256.084 0.7568 
1 1 1 2  18 12 o 3  1.02184e+02 2.83383e+01 3.09771e+01 69.183  2.34356e-01  6.16381e-01  0.00000e+00 0.00000e+00 2.25066e+01 69.183  8.47049e+00 249.183 0.3130 
1 1 1 2  18 13 o 19 4.38862e+01 1.77065e+01 2.69341e+01 186.954 -2.75226e-01 -3.35714e-02 0.00000e+00 0.00000e+00 1.67930e+01 6.954   4.37271e+01 6.954   0.1373 
1 1 1 2  18 14 o 4  1.59307e+02 2.81677e+01 2.15599e+02 252.829 -2.45230e+00 -7.93628e+00 0.00000e+00 0.00000e+00 3.75018e+01 252.829 1.78098e+02 72.829  0.9377 
1 1 1 2  18 15 f 0  2.25358e+02 1.92207e+01 1.90898e+02 9.758   1.02450e+01  1.76191e+00  0.00000e+00 0.00000e+00 1.74729e+02 9.758   1.61697e+01 189.758 0.9506 
1 1 1 2  18 16 o 9  9.21458e+01 2.67798e+01 3.75104e+01 60.429  3.98008e-01  7.01461e-01  0.00000e+00 0.00000e+00 2.17157e+01 60.429  1.57947e+01 240.429 0.3737 
1 1 1 2  18 17 o 11 1.16042e+02 4.50892e+01 6.08348e+01 219.058 -8.67713e-01 -7.04113e-01 0.00000e+00 0.00000e+00 3.70763e+01 219.058 2.37586e+01 39.058  0.4865 
1 1 1 2  18 18 o 7  2.90616e+02 2.15355e+01 1.83867e+02 179.972 -1.18335e+01 5.76142e-03  0.00000e+00 0.00000e+00 3.02685e+02 179.972 1.18818e+02 179.972 0.9568 
1 1 1 2  18 19 o 12 1.10450e+02 3.27715e+01 7.77996e+01 148.309 -1.49347e+00 9.22064e-01  0.00000e+00 0.00000e+00 4.96260e+01 148.309 2.81736e+01 328.309 0.6532 
1 1 1 2  18 20 o 14 7.97313e+01 3.16539e+01 5.96543e+01 114.346 -5.24136e-01 1.15834e+00  0.00000e+00 0.00000e+00 1.63390e+01 114.346 4.33153e+01 294.346 0.5343 
1 1 1 2  18 21 o 3  1.13789e+02 3.46142e+01 5.25041e+01 250.188 -6.09570e-01 -1.69204e+00 0.00000e+00 0.00000e+00 8.32051e+01 250.188 3.07011e+01 250.188 0.6617 
1 1 1 2  18 22 o 4  1.08072e+02 3.53663e+01 7.67969e+01 328.864 2.14904e+00  -1.29821e+00 0.00000e+00 0.00000e+00 7.40570e+01 328.864 2.73990e+00 148.864 0.7662 
1 1 1 2  18 23 o 8  1.79537e+02 2.93675e+01 1.18887e+02 155.628 -7.94938e+00 3.60130e+00  0.00000e+00 0.00000e+00 1.92370e+02 155.628 7.34827e+01 155.628 0.9408 
1 1 1 2  18 24 o 17 8.95300e+01 3.32140e+01 5.66586e+01 70.891  6.24057e-01  1.80127e+00  0.00000e+00 0.00000e+00 5.71592e+01 70.891  5.00594e-01 70.891  0.6818 
1 1 1 2  18 25 o 14 1.10436e+02 3.29051e+01 9.40729e+01 319.478 3.43174e+00  -2.93321e+00 0.00000e+00 0.00000e+00 8.95531e+01 319.478 4.51977e+00 139.478 0.8808 
1 1 1 2  18 26 o 11 1.19073e+02 3.33791e+01 1.20913e+02 229.021 -4.12394e+00 -4.74764e+00 0.00000e+00 0.00000e+00 8.78027e+01 229.021 3.31107e+01 49.022  0.9166 
1 1 1 2  18 27 o 7  7.46610e+01 3.23850e+01 3.15530e+01 75.701  3.16147e-01  1.24034e+00  0.00000e+00 0.00000e+00 4.61281e+01 75.701  1.45751e+01 75.701  0.5369 
1 1 1 2  18 28 o 17 6.43256e+01 2.91846e+01 8.54247e+01 101.184 -7.34537e-01 3.71500e+00  0.00000e+00 0.00000e+00 2.26264e+01 101.184 6.27983e+01 281.184 0.8548 
1 1 1 2  18 29 o 7  5.19737e+01 2.63251e+01 3.45880e+01 103.733 -3.50775e-01 1.43536e+00  0.00000e+00 0.00000e+00 2.65996e+01 103.733 7.98834e+00 283.733 0.5905 
1 1 1 2  18 30 o 8  5.10698e+01 2.51760e+01 8.68102e+00 268.369 -1.19027e-02 -4.17964e-01 0.00000e+00 0.00000e+00 1.24642e+01 268.369 3.78317e+00 268.369 0.2046 
1 1 1 2  18 31 o 19 5.57270e+01 2.70938e+01 6.42978e+01 292.999 1.28590e+00  -3.02948e+00 0.00000e+00 0.00000e+00 3.06742e+01 292.999 3.36237e+01 112.999 0.8294 
1 1 1 2  18 32 o 16 6.72474e+01 3.17849e+01 1.07070e+01 188.633 -5.48272e-01 -8.32423e-02 0.00000e+00 0.00000e+00 2.67969e+01 188.633 1.60899e+01 188.633 0.2671 
1 1 1 2  18 33 o 9  6.01247e+01 2.93936e+01 2.23675e+01 133.072 -8.37882e-01 8.96268e-01  0.00000e+00 0.00000e+00 4.41156e+01 133.072 2.17481e+01 133.072 0.5210 
1 1 1 2  18 34 o 7  5.53387e+01 2.76256e+01 1.18980e+01 166.388 -6.68206e-01 1.61804e-01  0.00000e+00 0.00000e+00 2.69114e+01 166.388 1.50134e+01 166.388 0.3249 
1 1 1 2  18 35 o 11 5.36490e+01 2.69143e+01 1.93980e+01 116.542 -5.16451e-01 1.03392e+00  0.00000e+00 0.00000e+00 3.93800e+01 116.542 1.99820e+01 116.542 0.4989 
1 1 1 2  19 0  o 3  3.64869e+01 2.20238e+01 3.37054e+00 0.000   9.34985e-03  0.00000e+00  0.00000e+00 0.00000e+00 2.80947e+00 180.000 6.18000e+00 180.000 0.0093 
1 1 1 2  19 1  o 18 2.36625e+02 1.45097e+01 1.44506e+02 202.457 -4.81549e+00 -1.99037e+00 0.00000e+00 0.00000e+00 2.05082e+02 202.457 6.05766e+01 202.457 0.8980 
1 1 1 2  19 2  o 3  4.60230e+01 1.64800e+01 1.70553e+02 88.735  2.60707e-02  1.18031e+00  0.00000e+00 0.00000e+00 1.32158e+02 268.735 3.02711e+02 268.735 0.5067 
1 1 1 2  19 3  o 2  7.02430e+01 2.55008e+01 4.72296e+01 36.167  3.81477e-01  2.78859e-01  0.00000e+00 0.00000e+00 2.06083e+01 216.167 6.78378e+01 216.167 0.2299 
1 1 1 2  19 4  o 18 3.45865e+02 1.34958e+01 1.73647e+02 319.783 6.82621e+00  -5.77210e+00 0.00000e+00 0.00000e+00 3.64535e+02 319.783 1.90888e+02 319.783 0.9423 
1 1 1 2  19 5  o 7  1.01526e+02 2.04119e+01 1.97895e+02 19.542  3.41861e+00  1.21340e+00  0.00000e+00 0.00000e+00 5.54849e+01 199.542 2.53379e+02 199.542 0.8475 
1 1 1 2  19 6  o 6  4.77165e+01 1.81476e+01 8.84575e+01 145.853 -6.27459e-01 4.25574e-01  0.00000e+00 0.00000e+00 6.04049e+01 325.853 1.48862e+02 325.853 0.3542 
1 1 1 2  19 7  o 5  2.13471e+02 1.22802e+01 2.01210e+02 264.902 -8.77271e-01 -9.83416e+00 0.00000e+00 0.00000e+00 1.35739e+02 264.902 6.54708e+01 84.902  0.9479 
1 1 1 2  19 8  o 5  3.37099e+02 1.71683e+01 2.03805e+02 72.096  4.49782e+00  1.39224e+01  0.00000e+00 0.00000e+00 3.40033e+02 72.096  1.36228e+02 72.096  0.9652 
1 1 1 2  19 9  o 5  2.57359e+02 2.23520e+01 2.75903e+02 71.048  5.11928e+00  1.49078e+01  0.00000e+00 0.00000e+00 1.42173e+02 71.048  1.33730e+02 251.048 0.9677 
1 1 1 2  19 10 o 17 9.53148e+01 2.61802e+01 9.75103e+01 267.890 -7.33929e-02 -1.99240e+00 0.00000e+00 0.00000e+00 1.45037e+01 267.890 8.30066e+01 87.890  0.6967 
1 1 1 2  19 11 f 0  7.12648e+01 2.67432e+01 1.38916e+02 184.495 -2.17363e+00 -1.70888e-01 0.00000e+00 0.00000e+00 5.12737e+01 4.495   1.90190e+02 4.495   0.7253 
1 1 1 2  19 12 o 13 1.61139e+02 2.34146e+01 1.02044e+02 109.844 -1.44711e+00 4.00974e+00  0.00000e+00 0.00000e+00 1.37857e+02 109.844 3.58131e+01 109.844 0.8729 
1 1 1 2  19 13 o 4  1.28073e+02 3.70951e+01 2.46904e+02 236.067 -3.61828e+00 -5.37783e+00 0.00000e+00 0.00000e+00 4.48421e+01 56.067  2.91746e+02 56.067  0.9192 
1 1 1 2  19 14 o 9  9.29286e+01 3.74506e+01 1.23261e+02 260.539 -3.94359e-01 -2.36646e+00 0.00000e+00 0.00000e+00 2.25194e+00 80.539  1.25513e+02 80.539  0.7536 
1 1 1 2  19 15 o 19 2.74281e+02 3.39983e+01 3.60948e+02 57.693  8.97518e+00  1.41936e+01  0.00000e+00 0.00000e+00 1.02056e+02 57.693  2.58891e+02 237.693 0.9698 
1 1 1 2  19 16 o 5  1.62495e+02 2.25633e+01 5.81677e+01 356.732 2.30191e+00  -1.31433e-01 0.00000e+00 0.00000e+00 1.53388e+02 356.732 9.52204e+01 356.732 0.7421 
1 1 1 2  19 17 o 1  1.32070e+02 4.93019e+01 2.34616e+01 173.924 -4.92648e-01 5.24433e-02  0.00000e+00 0.00000e+00 3.27080e+01 173.924 9.24643e+00 173.924 0.2404 
1 1 1 2  19 18 o 12 7.76679e+01 2.86760e+01 5.04825e+01 124.431 -4.75072e-01 6.93010e-01  0.00000e+00 0.00000e+00 3.15113e+00 124.431 4.73314e+01 304.431 0.3869 
1 1 1 2  19 19 o 4  1.23448e+02 3.19448e+01 1.42882e+02 244.278 -2.04138e+00 -4.23746e+00 0.00000e+00 0.00000e+00 5.41569e+01 244.278 8.87249e+01 64.278  0.8860 
1 1 1 2  19 20 o 4  1.53949e+02 3.28498e+01 7.89217e+01 3.352   3.78245e+00  2.21567e-01  0.00000e+00 0.00000e+00 1.60509e+02 3.352   8.15873e+01 3.352   0.8549 
1 1 1 2  19 21 o 8  1.63056e+02 3.22449e+01 1.68072e+02 38.326  6.93103e+00  5.47890e+00  0.00000e+00 0.00000e+00 1.14142e+02 38.326  5.39307e+01 218.326 0.9416 
1 1 1 2  19 22 o 4  6.09426e+01 2.73772e+01 7.04411e+01 185.705 -1.83326e+00 -1.83155e-01 0.00000e+00 0.00000e+00 5.44537e+00 185.705 6.49958e+01 5.705   0.6701 
1 1 1 2  19 23 o 18 1.52246e+02 4.68186e+01 1.37815e+02 222.464 -4.21400e+00 -3.85655e+00 0.00000e+00 0.00000e+00 1.21891e+02 222.464 1.59238e+01 42.464  0.9076 
1 1 1 2  19 24 o 11 8.07196e+01 3.07794e+01 6.14943e+01 84.011  2.39358e-01  2.28150e+00  0.00000e+00 0.00000e+00 5.21994e+01 84.011  9.29490e+00 264.011 0.7406 
1 1 1 2  19 25 o 17 6.68996e+01 2.85935e+01 4.45481e+01 93.093  -8.06141e-02 1.49194e+00  0.00000e+00 0.00000e+00 3.20535e+01 93.093  1.24946e+01 273.093 0.5947 
1 1 1 2  19 26 o 8  1.03228e+02 3.32412e+01 9.03357e+01 271.587 1.30419e-01  -4.70641e+00 0.00000e+00 0.00000e+00 8.80761e+01 271.587 2.25959e+00 91.587  0.8861 
1 1 1 2  19 27 o 13 9.12356e+01 3.61078e+01 2.82960e+01 337.390 1.19334e+00  -4.96975e-01 0.00000e+00 0.00000e+00 6.91874e+01 337.390 4.08913e+01 337.390 0.5406 
1 1 1 2  19 28 o 18 6.20923e+01 2.85066e+01 2.32885e+01 177.667 -1.08452e+00 4.41801e-02  0.00000e+00 0.00000e+00 3.59285e+01 177.667 1.26399e+01 177.667 0.4758 
1 1 1 2  19 29 o 16 7.16313e+01 3.19932e+01 4.37757e+01 112.178 -8.14541e-01 1.99819e+00  0.00000e+00 0.00000e+00 6.13888e+01 112.178 1.76132e+01 112.178 0.7221 
1 1 1 2  19 30 o 3  7.16315e+01 3.25362e+01 3.07592e+01 313.514 1.04982e+00  -1.10573e+00 0.00000e+00 0.00000e+00 5.82605e+01 313.514 2.75014e+01 313.514 0.6022 
1 1 1 2  19 31 o 2  9.73877e+01 3.88360e+01 1.02452e+01 272.467 2.37244e-02  -5.50596e-01 0.00000e+00 0.00000e+00 4.39622e+01 272.467 3.37170e+01 272.467 0.2656 
1 1 1 2  19 32 o 9  6.75637e+01 3.18845e+01 2.84172e+01 81.907  2.07896e-01  1.46211e+00  0.00000e+00 0.00000e+00 5.65116e+01 81.907  2.80944e+01 81.907  0.5903 
1 1 1 2  19 33 o 13 6.69725e+01 3.20002e+01 1.39490e+01 72.526  2.24873e-01  7.14334e-01  0.00000e+00 0.00000e+00 3.68500e+01 72.526  2.29010e+01 72.526  0.3504 
1 1 1 2  19 34 o 9  5.03934e+01 2.54795e+01 2.09156e+01 246.891 -5.05291e-01 -1.18410e+00 0.00000e+00 0.00000e+00 3.88802e+01 246.891 1.79646e+01 246.891 0.5390 
1 1 1 2  20 0  o 17 2.20170e+02 3.15667e+01 2.10491e+02 180.000 -5.06476e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.59200e+02 180.000 5.12908e+01 0.000   0.9999 
1 1 1 2  20 1  o 14 6.10967e+01 1.83070e+01 7.54446e+01 80.654  1.68386e-01  1.02318e+00  0.00000e+00 0.00000e+00 2.83072e+01 260.654 1.03752e+02 260.654 0.4593 
1 1 1 2  20 2  o 5  1.82747e+02 1.32530e+01 1.64770e+02 65.991  2.82811e+00  6.34922e+00  0.00000e+00 0.00000e+00 1.19371e+02 65.991  4.53991e+01 245.991 0.9250 
1 1 1 2  20 3  o 18 5.33417e+01 1.79767e+01 6.75213e+01 119.319 -3.92706e-01 6.99237e-01  0.00000e+00 0.00000e+00 3.41367e+01 299.319 1.01658e+02 299.319 0.3719 
1 1 1 2  20 4  o 12 1.58201e+02 2.60941e+01 2.37244e+02 259.283 -1.40714e+00 -7.43520e+00 0.00000e+00 0.00000e+00 1.11830e+01 259.283 2.26061e+02 79.283  0.9314 
1 1 1 2  20 5  o 9  6.56457e+01 2.43590e+01 8.47838e+01 5.264   1.11956e+00  1.03147e-01  0.00000e+00 0.00000e+00 3.05705e+01 185.264 1.15354e+02 185.264 0.4887 
1 1 1 2  20 6  o 16 3.21474e+02 2.72637e+01 2.06957e+02 178.851 -1.42243e+01 2.85371e-01  0.00000e+00 0.00000e+00 3.18294e+02 178.851 1.11338e+02 178.851 0.9642 
1 1 1 2  20 7  o 18 1.08415e+02 1.39418e+01 5.33428e+01 185.959 -1.34019e+00 -1.39884e-01 0.00000e+00 0.00000e+00 4.91587e+01 185.959 4.18403e+00 5.959   0.5561 
1 1 1 2  20 9  o 19 1.93432e+02 3.29532e+01 1.95722e+02 342.241 7.42715e+00  -2.37868e+00 0.00000e+00 0.00000e+00 1.13753e+02 342.241 8.19687e+01 162.241 0.9335 
1 1 1 2  20 11 o 10 3.47840e+02 3.21615e+01 2.77088e+02 143.833 -1.71232e+01 1.25171e+01  0.00000e+00 0.00000e+00 3.10751e+02 143.833 3.36630e+01 143.833 0.9761 
1 1 1 2  20 12 o 6  1.99808e+02 2.43962e+01 2.40835e+02 9.374   1.10373e+01  1.82202e+00  0.00000e+00 0.00000e+00 9.11663e+01 9.374   1.49669e+02 189.374 0.9542 
1 1 1 2  20 13 o 19 2.81443e+02 2.97532e+01 3.14800e+02 341.447 1.51119e+01  -5.07186e+00 0.00000e+00 0.00000e+00 1.62662e+02 341.447 1.52138e+02 161.447 0.9681 
1 1 1 2  20 14 o 1  3.77232e+02 3.70476e+01 2.20124e+02 190.104 -1.44551e+01 -2.57577e+00 0.00000e+00 0.00000e+00 4.22361e+02 190.104 2.02237e+02 190.104 0.9653 
1 1 1 2  20 15 o 9  2.13123e+02 3.87380e+01 2.34741e+02 180.279 -9.99555e+00 -4.86167e-02 0.00000e+00 0.00000e+00 1.24561e+02 180.279 1.10180e+02 0.279   0.9486 
1 1 1 2  20 16 o 12 1.79630e+02 2.14997e+01 1.75772e+02 319.598 5.59672e+00  -4.76347e+00 0.00000e+00 0.00000e+00 1.23221e+02 319.598 5.25513e+01 139.598 0.9292 
1 1 1 2  20 17 o 12 8.50459e+01 2.80259e+01 7.30913e+01 27.360  1.40329e+00  7.26167e-01  0.00000e+00 0.00000e+00 2.14263e+01 27.360  5.16650e+01 207.360 0.6153 
1 1 1 2  20 18 o 14 1.09255e+02 4.68125e+01 5.22816e+01 132.378 -7.98735e-01 8.75391e-01  0.00000e+00 0.00000e+00 4.88781e+01 132.378 3.40347e+00 312.378 0.5081 
1 1 1 2  20 19 o 4  1.27229e+02 3.30736e+01 9.90814e+01 258.655 -7.69966e-01 -3.83756e+00 0.00000e+00 0.00000e+00 1.02201e+02 258.655 3.11973e+00 258.655 0.8601 
1 1 1 2  20 20 o 3  1.10727e+02 3.30595e+01 5.17732e+01 166.134 -1.76831e+00 4.36502e-01  0.00000e+00 0.00000e+00 8.52364e+01 166.134 3.34632e+01 166.134 0.6662 
1 1 1 2  20 21 o 16 7.92783e+01 3.08356e+01 1.26346e+02 91.914  -1.33172e-01 3.98404e+00  0.00000e+00 0.00000e+00 2.05740e+00 91.914  1.24288e+02 271.914 0.8630 
1 1 1 2  20 22 f 0  1.11953e+02 3.41904e+01 1.05207e+02 173.654 -4.32451e+00 4.80916e-01  0.00000e+00 0.00000e+00 8.08120e+01 173.654 2.43949e+01 353.654 0.8758 
1 1 1 2  20 23 o 9  5.66460e+01 2.59733e+01 5.45255e+01 341.855 1.54744e+00  -5.07130e-01 0.00000e+00 0.00000e+00 1.35534e+01 341.855 4.09722e+01 161.855 0.6263 
1 1 1 2  20 24 o 3  6.22712e+01 2.78475e+01 8.88467e+01 289.578 1.02209e+00  -2.87393e+00 0.00000e+00 0.00000e+00 9.53533e+00 289.578 7.93113e+01 109.578 0.8136 
1 1 1 2  20 25 o 11 5.90633e+01 2.62450e+01 6.31932e+01 198.960 -2.25008e+00 -7.73015e-01 0.00000e+00 0.00000e+00 2.40299e+01 198.960 3.91633e+01 18.960  0.7512 
1 1 1 2  20 26 o 12 6.76754e+01 3.02553e+01 9.49619e+01 94.969  -3.45630e-01 3.97524e+00  0.00000e+00 0.00000e+00 2.13612e+01 94.969  7.36007e+01 274.969 0.8631 
1 1 1 2  20 27 o 7  5.85421e+01 2.70156e+01 1.79493e+01 331.587 7.17824e-01  -3.88334e-01 0.00000e+00 0.00000e+00 2.66485e+01 331.587 8.69916e+00 331.587 0.3775 
1 1 1 2  20 28 o 13 4.52847e+01 2.25714e+01 2.21788e+01 257.795 -2.33166e-01 -1.07797e+00 0.00000e+00 0.00000e+00 2.24560e+01 257.795 2.77209e-01 257.795 0.4817 
1 1 1 2  20 29 o 16 6.13036e+01 2.90660e+01 5.27171e+01 252.913 -7.66350e-01 -2.49315e+00 0.00000e+00 0.00000e+00 4.60758e+01 252.913 6.64137e+00 72.914  0.7763 
1 1 1 2  20 30 o 13 6.06087e+01 3.05936e+01 2.34575e+01 37.730  8.89562e-01  6.88279e-01  0.00000e+00 0.00000e+00 3.89722e+01 37.730  1.55147e+01 37.730  0.4888 
1 1 1 2  20 31 o 4  5.94688e+01 2.88358e+01 4.58461e+01 84.428  2.33437e-01  2.39263e+00  0.00000e+00 0.00000e+00 5.01167e+01 84.428  4.27066e+00 84.428  0.7541 
1 1 1 2  20 32 o 2  4.92835e+01 2.47429e+01 1.04278e+01 146.103 -5.02054e-01 3.37330e-01  0.00000e+00 0.00000e+00 2.05784e+01 146.103 1.01506e+01 146.103 0.2894 
1 1 1 2  20 33 o 11 5.78096e+01 2.85163e+01 1.22782e+01 202.325 -6.43966e-01 -2.64445e-01 0.00000e+00 0.00000e+00 2.96975e+01 202.325 1.74193e+01 202.325 0.3286 
1 1 1 2  21 0  o 14 7.56010e+01 3.12318e+01 7.62362e+01 180.000 -6.41305e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.82017e+00 0.000   7.90563e+01 0.000   0.5658 
1 1 1 2  21 1  f 0  7.01518e+01 2.04564e+01 1.14098e+02 32.333  1.52312e+00  9.64107e-01  0.00000e+00 0.00000e+00 3.43035e+01 212.333 1.48402e+02 212.333 0.6625 
1 1 1 2  21 2  o 11 2.27462e+02 2.71659e+01 2.46292e+02 27.343  1.05134e+01  5.43630e+00  0.00000e+00 0.00000e+00 1.27617e+02 27.343  1.18676e+02 207.343 0.9568 
1 1 1 2  21 3  o 16 7.60477e+01 2.09577e+01 3.38110e+00 300.563 2.97845e-02  -5.04368e-02 0.00000e+00 0.00000e+00 4.48685e-01 300.563 2.93242e+00 120.563 0.0293 
1 1 1 2  21 4  o 7  1.19347e+02 2.37411e+01 1.42042e+02 239.630 -1.88851e+00 -3.22271e+00 0.00000e+00 0.00000e+00 3.32947e+01 239.630 1.08747e+02 59.630  0.8525 
1 1 1 2  21 5  o 10 8.83274e+01 1.71327e+01 4.68510e+01 232.435 -6.16660e-01 -8.01760e-01 0.00000e+00 0.00000e+00 2.18689e+01 232.435 2.49821e+01 52.435  0.4504 
1 1 1 2  21 6  o 1  7.39839e+01 2.53846e+01 4.20617e+00 315.187 4.95527e-02  -4.92305e-02 0.00000e+00 0.00000e+00 2.66488e-01 315.187 3.93968e+00 135.187 0.0349 
1 1 1 2  21 7  o 9  1.64456e+02 1.85955e+01 1.34863e+02 27.751  5.43330e+00  2.85870e+00  0.00000e+00 0.00000e+00 1.26472e+02 27.751  8.39144e+00 207.751 0.9145 
1 1 1 2  21 8  o 12 3.49399e+01 1.43808e+01 4.99235e+01 324.029 3.76646e-01  -2.73363e-01 0.00000e+00 0.00000e+00 3.61123e+01 144.029 8.60358e+01 144.029 0.2266 
1 1 1 2  21 9  o 12 6.64280e+01 1.70042e+01 2.15228e+01 119.171 -1.78737e-01 3.20192e-01  0.00000e+00 0.00000e+00 5.37511e-01 299.171 2.20603e+01 299.171 0.1803 
1 1 1 2  21 10 o 17 1.70745e+02 1.82270e+01 1.38444e+02 170.292 -5.74890e+00 9.83503e-01  0.00000e+00 0.00000e+00 1.34954e+02 170.292 3.49046e+00 350.292 0.9097 
1 1 1 2  21 11 o 17 1.64616e+02 2.65204e+01 1.89451e+02 264.502 -7.13557e-01 -7.41317e+00 0.00000e+00 0.00000e+00 8.15158e+01 264.502 1.07935e+02 84.502  0.9302 
1 1 1 2  21 12 o 14 1.60196e+02 3.39007e+01 1.53492e+02 1.465   4.55162e+00  1.16439e-01  0.00000e+00 0.00000e+00 9.79505e+01 1.465   5.55412e+01 181.465 0.8819 
1 1 1 2  21 13 o 12 3.62894e+02 3.69694e+01 2.20790e+02 91.997  -5.78447e-01 1.65918e+01  0.00000e+00 0.00000e+00 4.09297e+02 91.997  1.88506e+02 91.997  0.9694 
1 1 1 2  21 14 o 12 5.36206e+01 1.98499e+01 6.36461e+01 25.973  7.00892e-01  3.41443e-01  0.00000e+00 0.00000e+00 2.85536e+01 205.973 9.21997e+01 205.973 0.3629 
1 1 1 2  21 15 o 8  2.21506e+02 5.05372e+01 2.16113e+02 269.580 -5.70350e-02 -7.78080e+00 0.00000e+00 0.00000e+00 1.59442e+02 269.580 5.66709e+01 89.580  0.9333 
1 1 1 2  21 16 o 8  1.19884e+02 4.91034e+01 1.19556e+02 145.041 -2.15876e+00 1.50928e+00  0.00000e+00 0.00000e+00 5.13857e+01 145.041 6.81700e+01 325.041 0.7788 
1 1 1 2  21 17 o 18 1.05189e+02 2.90319e+01 1.07541e+02 148.960 -2.93855e+00 1.76844e+00  0.00000e+00 0.00000e+00 5.50639e+01 148.960 5.24771e+01 328.960 0.8373 
1 1 1 2  21 18 o 3  1.10427e+02 4.61774e+01 2.84308e+01 344.773 6.93306e-01  -1.88724e-01 0.00000e+00 0.00000e+00 4.10673e+01 344.773 1.26365e+01 344.773 0.3379 
1 1 1 2  21 19 o 8  1.43763e+02 2.90935e+01 7.94093e+01 46.862  2.76211e+00  2.94777e+00  0.00000e+00 0.00000e+00 1.54380e+02 46.862  7.49704e+01 46.862  0.8650 
1 1 1 2  21 20 o 16 6.42363e+01 2.73296e+01 4.08563e+01 234.660 -6.94795e-01 -9.79859e-01 0.00000e+00 0.00000e+00 2.17248e+01 234.660 1.91315e+01 54.660  0.5132 
1 1 1 2  21 21 o 5  5.63064e+01 2.60071e+01 7.37929e+01 141.912 -1.46303e+00 1.14667e+00  0.00000e+00 0.00000e+00 1.08285e+00 321.912 7.48758e+01 321.912 0.6732 
1 1 1 2  21 22 o 14 8.56426e+01 3.16585e+01 5.95015e+01 1.900   2.30398e+00  7.64220e-02  0.00000e+00 0.00000e+00 6.37344e+01 1.900   4.23289e+00 1.900   0.7420 
1 1 1 2  21 23 o 1  5.25481e+01 2.46960e+01 7.86127e+01 85.470  1.97914e-01  2.49786e+00  0.00000e+00 0.00000e+00 2.93736e-01 85.470  7.83190e+01 265.470 0.7656 
1 1 1 2  21 24 o 1  7.24163e+01 2.91363e+01 4.41347e+01 226.817 -1.26828e+00 -1.35141e+00 0.00000e+00 0.00000e+00 5.24701e+01 226.817 8.33543e+00 226.817 0.6722 
1 1 1 2  21 25 o 16 7.47516e+01 2.97847e+01 7.92366e+01 279.419 5.87772e-01  -3.54318e+00 0.00000e+00 0.00000e+00 4.77977e+01 279.419 3.14389e+01 99.419  0.8457 
1 1 1 2  21 26 o 5  7.87350e+01 3.28646e+01 4.92163e+01 213.338 -1.96994e+00 -1.29591e+00 0.00000e+00 0.00000e+00 7.07547e+01 213.338 2.15384e+01 213.338 0.7486 
1 1 1 2  21 27 o 18 5.63344e+01 2.64649e+01 5.63186e+01 61.999  1.34595e+00  2.53129e+00  0.00000e+00 0.00000e+00 3.66031e+01 61.999  1.97156e+01 241.999 0.7996 
1 1 1 2  21 28 o 2  5.90677e+01 2.77593e+01 3.43092e+01 153.711 -1.53073e+00 7.56164e-01  0.00000e+00 0.00000e+00 4.51746e+01 153.711 1.08655e+01 153.711 0.6434 
1 1 1 2  21 29 o 14 7.12618e+01 3.21128e+01 5.72520e+01 298.236 1.35838e+00  -2.52957e+00 0.00000e+00 0.00000e+00 6.37128e+01 298.236 6.46078e+00 298.236 0.8000 
1 1 1 2  21 30 o 19 6.29166e+01 3.16398e+01 3.43600e+01 27.774  1.45370e+00  7.65618e-01  0.00000e+00 0.00000e+00 5.09437e+01 27.774  1.65837e+01 27.774  0.6295 
1 1 1 2  21 31 o 8  5.47099e+01 2.70297e+01 4.52268e+01 127.619 -1.54046e+00 1.99898e+00  0.00000e+00 0.00000e+00 4.66125e+01 127.619 1.38570e+00 127.619 0.7675 
1 1 1 2  21 32 o 3  5.24555e+01 2.60848e+01 2.31605e+01 312.961 9.34073e-01  -1.00304e+00 0.00000e+00 0.00000e+00 4.24021e+01 312.961 1.92416e+01 312.961 0.5625 
1 1 1 2  21 33 o 4  4.46465e+01 2.27363e+01 1.37511e+01 304.085 5.01651e-01  -7.41357e-01 0.00000e+00 0.00000e+00 2.73946e+01 304.085 1.36435e+01 304.085 0.4080 
1 1 1 2  22 0  f 0  1.14448e+02 3.42481e+01 4.58825e+01 0.000   6.91842e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.45432e+01 0.000   2.86607e+01 0.000   0.5992 
1 1 1 2  22 1  o 11 5.05684e+01 2.01566e+01 1.69622e+01 92.812  -1.15550e-02 2.35279e-01  0.00000e+00 0.00000e+00 6.57173e+00 272.812 2.35340e+01 272.812 0.1170 
1 1 1 2  22 2  o 10 7.56420e+01 2.11023e+01 3.27518e+01 14.412  6.50442e-01  1.67149e-01  0.00000e+00 0.00000e+00 9.55762e+00 14.412  2.31942e+01 194.412 0.3182 
1 1 1 2  22 3  o 4  8.26876e+01 1.91809e+01 1.37670e+02 255.353 -7.90115e-01 -3.02317e+00 0.00000e+00 0.00000e+00 1.84991e+01 75.353  1.56169e+02 75.353  0.8188 
1 1 1 2  22 4  o 4  1.37844e+02 1.52776e+01 2.66791e+01 309.049 6.18888e-01  -7.62941e-01 0.00000e+00 0.00000e+00 8.02943e+01 309.049 5.36151e+01 309.049 0.4401 
1 1 1 2  22 5  o 4  1.12758e+02 2.79536e+01 1.93154e+02 105.663 -1.37738e+00 4.91230e+00  0.00000e+00 0.00000e+00 1.46654e+01 285.663 2.07819e+02 285.663 0.8957 
1 1 1 2  22 6  o 5  8.35973e+01 3.07837e+01 9.75937e+00 190.637 -1.78341e-01 -3.34935e-02 0.00000e+00 0.00000e+00 3.62714e+00 190.637 6.13222e+00 10.637  0.0904 
1 1 1 2  22 7  o 15 1.00438e+02 2.90160e+01 6.74340e+01 274.860 1.28567e-01  -1.51196e+00 0.00000e+00 0.00000e+00 3.97864e+01 274.860 2.76476e+01 94.860  0.6004 
1 1 1 2  22 8  o 14 1.08282e+02 2.45501e+01 1.66631e+02 187.512 -4.43256e+00 -5.84539e-01 0.00000e+00 0.00000e+00 3.33134e+00 187.512 1.63300e+02 7.512   0.8795 
1 1 1 2  22 9  o 1  8.35016e+01 2.35657e+01 1.96145e+02 66.334  1.25684e+00  2.86779e+00  0.00000e+00 0.00000e+00 7.35320e+01 246.334 2.69677e+02 246.334 0.8192 
1 1 1 2  22 10 o 13 3.00509e+02 3.75848e+01 2.78368e+02 42.615  1.09331e+01  1.00588e+01  0.00000e+00 0.00000e+00 2.44309e+02 42.615  3.40596e+01 222.615 0.9657 
1 1 1 2  22 11 o 13 1.16662e+02 3.14178e+01 1.26246e+02 304.683 1.87739e+00  -2.71299e+00 0.00000e+00 0.00000e+00 4.90477e+01 304.683 7.71987e+01 124.683 0.8299 
1 1 1 2  22 13 o 12 6.65751e+01 2.97899e+01 5.09982e+01 236.546 -4.02243e-01 -6.08794e-01 0.00000e+00 0.00000e+00 9.20679e+00 56.546  6.02050e+01 56.546  0.3425 
1 1 1 2  22 14 o 2  1.40566e+02 2.10131e+01 4.87390e+01 270.479 1.59931e-02  -1.91471e+00 0.00000e+00 0.00000e+00 1.28477e+02 270.479 7.97382e+01 270.479 0.6833 
1 1 1 2  22 15 o 9  7.51603e+01 2.31114e+01 9.29921e+01 276.440 2.40659e-01  -2.13196e+00 0.00000e+00 0.00000e+00 7.63063e+00 276.440 8.53615e+01 96.440  0.7203 
1 1 1 2  22 16 o 3  1.17660e+02 4.92830e+01 9.07801e+01 84.364  2.36779e-01  2.39914e+00  0.00000e+00 0.00000e+00 7.56151e+01 84.364  1.51650e+01 264.364 0.7549 
1 1 1 2  22 17 o 12 1.12443e+02 2.79517e+01 8.13616e+01 85.465  2.57902e-01  3.25161e+00  0.00000e+00 0.00000e+00 9.44237e+01 85.465  1.30621e+01 85.465  0.8276 
1 1 1 2  22 18 o 4  8.89806e+01 2.91372e+01 2.83880e+01 50.801  5.62752e-01  6.90034e-01  0.00000e+00 0.00000e+00 4.04936e+01 50.801  1.21056e+01 50.801  0.4062 
1 1 1 2  22 19 o 4  6.96218e+01 3.27162e+01 9.37275e+01 110.205 -9.01285e-01 2.44896e+00  0.00000e+00 0.00000e+00 1.02493e+01 110.205 8.34783e+01 290.205 0.7764 
1 1 1 2  22 20 f 0  5.48542e+01 2.50326e+01 6.56634e+01 138.429 -1.23193e+00 1.09265e+00  0.00000e+00 0.00000e+00 1.50572e+00 138.429 6.41577e+01 318.429 0.6304 
1 1 1 2  22 21 o 14 8.13140e+01 3.14861e+01 1.14433e+02 262.561 -5.46701e-01 -4.18695e+00 0.00000e+00 0.00000e+00 2.46678e+01 262.561 8.97648e+01 82.561  0.8716 
1 1 1 2  22 22 o 2  6.68077e+01 2.87592e+01 7.77420e+01 2.159   2.60411e+00  9.81683e-02  0.00000e+00 0.00000e+00 2.51279e+01 2.159   5.26141e+01 182.159 0.7760 
1 1 1 2  22 23 o 18 5.52388e+01 2.46285e+01 2.12840e+01 66.430  3.17071e-01  7.26794e-01  0.00000e+00 0.00000e+00 1.95384e+01 66.430  1.74562e+00 246.430 0.3683 
1 1 1 2  22 24 o 4  5.21747e+01 2.41246e+01 5.35486e+01 203.718 -1.90729e+00 -8.37938e-01 0.00000e+00 0.00000e+00 2.17812e+01 203.718 3.17674e+01 23.718  0.7110 
1 1 1 2  22 25 o 7  4.02537e+01 1.99130e+01 5.70179e+01 139.024 -1.83211e+00 1.59128e+00  0.00000e+00 0.00000e+00 5.61332e+00 139.024 5.14046e+01 319.024 0.7568 
1 1 1 2  22 26 o 15 9.03462e+01 3.50085e+01 5.21789e+01 302.228 1.47627e+00  -2.34175e+00 0.00000e+00 0.00000e+00 9.67020e+01 302.228 4.45231e+01 302.228 0.7913 
1 1 1 2  22 27 o 6  3.98122e+01 1.99960e+01 3.41877e+01 114.024 -6.94099e-01 1.55722e+00  0.00000e+00 0.00000e+00 1.98302e+01 114.024 1.43575e+01 294.024 0.6429 
1 1 1 2  22 28 o 14 7.41886e+01 3.22882e+01 4.04973e+01 174.027 -2.07769e+00 2.17388e-01  0.00000e+00 0.00000e+00 7.25251e+01 174.027 3.20278e+01 174.027 0.7119 
1 1 1 2  22 29 o 15 6.57211e+01 3.00491e+01 2.45314e+01 341.239 1.25666e+00  -4.26848e-01 0.00000e+00 0.00000e+00 5.40045e+01 341.239 2.94731e+01 341.239 0.5504 
1 1 1 2  22 30 o 14 5.59943e+01 2.70851e+01 2.63925e+01 76.129  3.61327e-01  1.46319e+00  0.00000e+00 0.00000e+00 4.73810e+01 76.129  2.09885e+01 76.129  0.5979 
1 1 1 2  22 31 o 4  5.08712e+01 2.61676e+01 3.88337e+01 263.939 -2.30640e-01 -2.17211e+00 0.00000e+00 0.00000e+00 4.37936e+01 263.939 4.95994e+00 263.939 0.7258 
1 1 1 2  22 32 o 15 4.30068e+01 2.19140e+01 1.88152e+01 233.645 -7.41102e-01 -1.00686e+00 0.00000e+00 0.00000e+00 3.28180e+01 233.645 1.40028e+01 233.645 0.5281 
1 1 1 2  23 0  o 10 1.24218e+02 3.56228e+01 3.62413e+01 0.000   5.28644e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.19831e+01 0.000   3.57418e+01 0.000   0.4843 
1 1 1 2  23 1  o 12 1.59290e+02 1.82771e+01 1.17440e+02 192.921 -4.90811e+00 -1.12601e+00 0.00000e+00 0.00000e+00 1.38842e+02 192.921 2.14026e+01 192.921 0.8942 
1 1 1 2  23 2  o 4  4.99132e+01 2.01345e+01 7.79075e+01 235.411 -5.82198e-01 -8.44305e-01 0.00000e+00 0.00000e+00 3.69802e+01 55.411  1.14888e+02 55.411  0.4554 
1 1 1 2  23 4  o 1  1.55535e+02 2.62246e+01 1.87049e+02 65.290  2.96877e+00  6.45171e+00  0.00000e+00 0.00000e+00 7.32564e+01 65.290  1.13793e+02 245.290 0.9267 
1 1 1 2  23 5  o 19 1.92568e+02 2.41759e+01 1.93020e+02 73.303  2.05819e+00  6.86153e+00  0.00000e+00 0.00000e+00 1.30228e+02 73.303  6.27915e+01 253.303 0.9273 
1 1 1 2  23 6  o 5  7.20100e+01 2.91555e+01 6.36544e+01 263.701 -9.16135e-02 -8.29969e-01 0.00000e+00 0.00000e+00 1.33435e+01 83.701  7.69979e+01 83.701  0.3849 
1 1 1 2  23 7  o 10 5.97468e+01 1.83465e+01 6.58922e+01 151.171 -7.46240e-01 4.10737e-01  0.00000e+00 0.00000e+00 2.33009e+01 331.171 8.91931e+01 331.171 0.3914 
1 1 1 2  23 8  o 11 9.46871e+01 3.11357e+01 1.38115e+02 93.990  -2.06868e-01 2.96584e+00  0.00000e+00 0.00000e+00 1.74089e+00 93.990  1.36375e+02 273.990 0.8080 
1 1 1 2  23 9  o 8  3.89204e+01 1.68607e+01 2.82619e+01 128.867 -1.66555e-01 2.06660e-01  0.00000e+00 0.00000e+00 1.88615e+01 308.867 4.71235e+01 308.867 0.1316 
1 1 1 2  23 10 o 2  4.16918e+02 3.56607e+01 3.27047e+02 300.456 1.40810e+01  -2.39468e+01 0.00000e+00 0.00000e+00 4.28090e+02 300.456 1.01042e+02 300.456 0.9818 
1 1 1 2  23 11 o 16 7.97107e+01 3.07811e+01 1.13892e+02 53.443  1.17023e+00  1.57819e+00  0.00000e+00 0.00000e+00 1.16115e+01 233.443 1.25504e+02 233.443 0.6919 
1 1 1 2  23 12 o 19 6.70990e+01 2.91145e+01 1.24358e+02 116.469 -9.47242e-01 1.90245e+00  0.00000e+00 0.00000e+00 3.45788e+01 296.469 1.58937e+02 296.469 0.7173 
1 1 1 2  23 13 o 7  7.46301e+01 3.04566e+01 1.59407e+02 224.570 -2.35938e+00 -2.32421e+00 0.00000e+00 0.00000e+00 4.30422e+01 44.570  2.02449e+02 44.570  0.8306 
1 1 1 2  23 14 o 19 4.79812e+01 1.81567e+01 4.08936e+01 188.382 -7.99009e-01 -1.17736e-01 0.00000e+00 0.00000e+00 6.96833e+00 8.382   4.78620e+01 8.382   0.3741 
1 1 1 2  23 15 o 14 1.59263e+02 5.36814e+01 3.47691e+01 131.007 -7.15135e-01 8.22459e-01  0.00000e+00 0.00000e+00 1.09964e+02 131.007 7.51945e+01 131.007 0.4773 
1 1 1 2  23 16 o 18 8.33882e+01 2.47153e+01 2.60458e+01 118.974 -4.09663e-01 7.39852e-01  0.00000e+00 0.00000e+00 3.62046e+01 118.974 1.01588e+01 118.974 0.3891 
1 1 1 2  23 17 o 2  9.63240e+01 2.67046e+01 1.01144e+02 17.990  4.10613e+00  1.33339e+00  0.00000e+00 0.00000e+00 6.18718e+01 17.990  3.92725e+01 197.990 0.8747 
1 1 1 2  23 18 o 8  7.82527e+01 2.81997e+01 4.06600e+01 5.583   1.39464e+00  1.36336e-01  0.00000e+00 0.00000e+00 4.65220e+01 5.583   5.86197e+00 5.583   0.5708 
1 1 1 2  23 19 o 18 6.98723e+01 3.26170e+01 3.60187e+01 345.318 1.06989e+00  -2.80331e-01 0.00000e+00 0.00000e+00 3.04318e+01 345.318 5.58685e+00 165.318 0.4827 
1 1 1 2  23 20 o 9  9.37837e+01 3.19112e+01 6.52748e+01 143.990 -2.38208e+00 1.73130e+00  0.00000e+00 0.00000e+00 8.50939e+01 143.990 1.98191e+01 143.990 0.8058 
1 1 1 2  23 21 o 1  5.63930e+01 2.51896e+01 2.22806e+01 95.950  -7.22308e-02 6.93007e-01  0.00000e+00 0.00000e+00 1.49983e+01 95.950  7.28229e+00 275.950 0.3288 
1 1 1 2  23 22 o 18 7.12505e+01 2.79029e+01 6.95680e+01 249.462 -1.04833e+00 -2.79819e+00 0.00000e+00 0.00000e+00 4.75934e+01 249.462 2.19746e+01 69.462  0.8091 
1 1 1 2  23 23 o 10 6.37187e+01 2.70052e+01 2.65674e+01 283.705 2.80940e-01  -1.15199e+00 0.00000e+00 0.00000e+00 4.00132e+01 283.705 1.34458e+01 283.705 0.5083 
1 1 1 2  23 24 o 13 4.81646e+01 2.27901e+01 2.37558e+01 11.321  1.04541e+00  2.09294e-01  0.00000e+00 0.00000e+00 2.32643e+01 11.321  4.91455e-01 191.321 0.4693 
1 1 1 2  23 26 o 13 5.83637e+01 2.68474e+01 5.86146e+01 40.345  2.28534e+00  1.94116e+00  0.00000e+00 0.00000e+00 4.22131e+01 40.345  1.64015e+01 220.345 0.8099 
1 1 1 2  23 27 o 18 5.34858e+01 2.54876e+01 1.84673e+01 213.045 -8.10950e-01 -5.27553e-01 0.00000e+00 0.00000e+00 3.18003e+01 213.045 1.33330e+01 213.045 0.4347 
1 1 1 2  23 28 f 0  5.07397e+01 2.47478e+01 1.37516e+01 267.724 -3.06821e-02 -7.72154e-01 0.00000e+00 0.00000e+00 2.63048e+01 267.724 1.25532e+01 267.724 0.3601 
1 1 1 2  23 29 o 16 4.47041e+01 2.23109e+01 4.13169e+01 37.912  2.01413e+00  1.56862e+00  0.00000e+00 0.00000e+00 3.52928e+01 37.912  6.02417e+00 217.912 0.7706 
1 1 1 2  23 30 o 15 5.33016e+01 2.62262e+01 2.90017e+01 188.787 -1.67390e+00 -2.58742e-01 0.00000e+00 0.00000e+00 4.80571e+01 188.787 1.90554e+01 188.787 0.6405 
1 1 1 2  23 31 o 8  4.99428e+01 2.57782e+01 7.86707e+00 238.138 -2.40745e-01 -3.87342e-01 0.00000e+00 0.00000e+00 1.75805e+01 238.138 9.71344e+00 238.138 0.2223 
1 1 1 2  24 0  o 7  1.66899e+02 3.09968e+01 2.52666e+02 180.000 -4.45466e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.50886e+01 180.000 1.97577e+02 0.000   0.9997 
1 1 1 2  24 1  o 11 2.02559e+02 2.39346e+01 2.30874e+02 344.831 9.35809e+00  -2.53716e+00 0.00000e+00 0.00000e+00 1.23001e+02 344.831 1.07874e+02 164.831 0.9469 
1 1 1 2  24 2  o 12 1.57219e+02 3.21357e+01 1.40091e+02 19.666  3.94153e+00  1.40866e+00  0.00000e+00 0.00000e+00 1.12538e+02 19.666  2.75531e+01 199.666 0.8703 
1 1 1 2  24 3  o 16 1.48033e+02 3.56469e+01 2.27265e+02 135.791 -5.19245e+00 5.05111e+00  0.00000e+00 0.00000e+00 2.67363e+01 135.791 2.00529e+02 315.791 0.9282 
1 1 1 2  24 4  o 13 2.36038e+02 3.27591e+01 1.50227e+02 159.987 -7.42217e+00 2.70335e+00  0.00000e+00 0.00000e+00 2.58209e+02 159.987 1.07982e+02 159.987 0.9344 
1 1 1 2  24 5  o 12 4.37571e+02 3.15339e+01 3.59944e+02 316.041 2.38445e+01  -2.29934e+01 0.00000e+00 0.00000e+00 4.39886e+02 316.041 7.99427e+01 316.041 0.9848 
1 1 1 2  24 6  o 1  7.60745e+01 3.01935e+01 5.78040e+01 166.636 -9.05765e-01 2.15187e-01  0.00000e+00 0.00000e+00 1.86414e+00 166.636 5.59399e+01 346.636 0.4214 
1 1 1 2  24 7  o 3  1.95624e+02 2.43682e+01 2.20795e+02 105.645 -2.73508e+00 9.76612e+00  0.00000e+00 0.00000e+00 1.26004e+02 105.645 9.47910e+01 285.645 0.9493 
1 1 1 2  24 8  o 5  4.29559e+02 2.11628e+01 3.09415e+02 15.074  3.12303e+01  8.41130e+00  0.00000e+00 0.00000e+00 4.83232e+02 15.074  1.73816e+02 15.074  0.9844 
1 1 1 2  24 9  o 12 9.48786e+01 2.44025e+01 8.21467e+01 287.044 5.30087e-01  -1.72908e+00 0.00000e+00 0.00000e+00 3.63944e+01 287.044 4.57523e+01 107.044 0.6637 
1 1 1 2  24 10 o 1  4.78882e+01 2.20982e+01 1.39441e+02 218.210 -1.46133e+00 -1.15037e+00 0.00000e+00 0.00000e+00 7.84463e+01 38.210  2.17887e+02 38.210  0.6734 
1 1 1 2  24 11 o 4  8.69668e+01 1.88992e+01 5.46385e+01 186.198 -1.55162e+00 -1.68497e-01 0.00000e+00 0.00000e+00 4.63724e+01 186.198 8.26612e+00 6.198   0.6108 
1 1 1 2  24 12 o 2  4.62944e+01 1.70917e+01 3.55118e+01 241.405 -3.31024e-01 -6.07261e-01 0.00000e+00 0.00000e+00 6.58770e+00 61.405  4.20995e+01 61.405  0.3267 
1 1 1 2  24 13 o 12 6.02668e+01 2.62979e+01 9.75216e+01 252.895 -5.81378e-01 -1.88926e+00 0.00000e+00 0.00000e+00 1.70286e+01 72.895  1.14550e+02 72.895  0.6939 
1 1 1 2  24 14 o 3  1.08577e+02 4.71350e+01 1.31874e+02 135.714 -2.44394e+00 2.38378e+00  0.00000e+00 0.00000e+00 4.41316e+01 135.714 8.77425e+01 315.714 0.8365 
1 1 1 2  24 15 o 18 1.21149e+02 4.56026e+01 1.56608e+02 57.925  2.82374e+00  4.50578e+00  0.00000e+00 0.00000e+00 5.63023e+01 57.925  1.00306e+02 237.925 0.9003 
1 1 1 2  24 16 o 2  7.72487e+01 2.38186e+01 3.66868e+01 350.121 1.39755e+00  -2.43394e-01 0.00000e+00 0.00000e+00 5.07573e+01 350.121 1.40705e+01 350.121 0.5754 
1 1 1 2  24 17 o 2  6.62448e+01 3.16481e+01 1.02121e+02 225.958 -1.85705e+00 -1.92023e+00 0.00000e+00 0.00000e+00 7.06201e-01 225.958 1.01415e+02 45.958  0.7824 
1 1 1 2  24 18 o 17 4.83236e+01 2.18977e+01 2.44023e+01 286.891 2.04491e-01  -6.73453e-01 0.00000e+00 0.00000e+00 7.68660e+00 286.891 1.67157e+01 106.891 0.3318 
1 1 1 2  24 19 o 11 8.07006e+01 3.54522e+01 6.11072e+01 114.820 -9.08271e-01 1.96392e+00  0.00000e+00 0.00000e+00 5.67537e+01 114.820 4.35350e+00 294.819 0.7229 
1 1 1 2  24 20 o 3  5.81429e+01 2.53859e+01 4.55564e+01 214.766 -1.24714e+00 -8.65682e-01 0.00000e+00 0.00000e+00 2.56877e+01 214.766 1.98686e+01 34.766  0.6006 
1 1 1 2  24 21 o 1  5.53100e+01 2.45748e+01 6.89800e+01 82.047  3.77436e-01  2.70157e+00  0.00000e+00 0.00000e+00 2.08267e+01 82.047  4.81533e+01 262.047 0.7877 
1 1 1 2  24 22 o 4  6.22883e+01 2.70002e+01 2.81420e+01 278.519 1.81216e-01  -1.20978e+00 0.00000e+00 0.00000e+00 3.93464e+01 278.519 1.12043e+01 278.519 0.5199 
1 1 1 2  24 23 o 13 6.69710e+01 2.77877e+01 6.22215e+01 267.696 -1.24768e-01 -3.10169e+00 0.00000e+00 0.00000e+00 5.31574e+01 267.696 9.06413e+00 87.696  0.8174 
1 1 1 2  24 24 o 16 5.48638e+01 2.52115e+01 3.81144e+01 107.677 -6.04644e-01 1.89726e+00  0.00000e+00 0.00000e+00 4.33667e+01 107.677 5.25232e+00 107.677 0.6963 
1 1 1 2  24 25 o 10 6.00001e+01 2.72753e+01 1.81711e+01 227.733 -6.25916e-01 -6.88666e-01 0.00000e+00 0.00000e+00 3.64075e+01 227.733 1.82364e+01 227.733 0.4213 
1 1 1 2  24 26 o 10 6.42012e+01 2.84583e+01 1.75478e+01 98.583  -1.39999e-01 9.27524e-01  0.00000e+00 0.00000e+00 4.19928e+01 98.583  2.44450e+01 98.583  0.4240 
1 1 1 2  24 27 o 7  5.25159e+01 2.51615e+01 1.13632e+01 180.402 -6.41183e-01 -4.49975e-03 0.00000e+00 0.00000e+00 2.41632e+01 180.402 1.28000e+01 180.402 0.3052 
1 1 1 2  24 28 f 0  4.72763e+01 2.33450e+01 3.05701e+01 316.587 1.28089e+00  -1.21181e+00 0.00000e+00 0.00000e+00 3.90109e+01 316.587 8.44086e+00 316.587 0.6548 
1 1 1 2  24 29 o 12 4.77401e+01 2.36702e+01 7.46363e+00 59.438  2.35015e-01  3.97995e-01  0.00000e+00 0.00000e+00 1.70447e+01 59.438  9.58111e+00 59.438  0.2251 
1 1 1 2  24 30 o 17 4.40909e+01 2.22206e+01 1.96559e+00 205.229 -1.13987e-01 -5.37088e-02 0.00000e+00 0.00000e+00 4.45075e+00 205.229 2.48516e+00 205.229 0.0629 
1 1 1 2  25 0  o 4  4.24109e+01 2.76125e+01 1.81046e+01 0.000   9.48358e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.05124e+01 180.000 2.86170e+01 180.000 0.0946 
1 1 1 2  25 2  o 3  8.03149e+01 2.42343e+01 1.21005e+02 316.352 1.65151e+00  -1.57532e+00 0.00000e+00 0.00000e+00 8.50503e+00 136.352 1.29510e+02 136.352 0.7391 
1 1 1 2  25 3  o 12 1.87980e+02 3.51296e+01 1.57460e+02 86.573  3.66910e-01  6.12739e+00  0.00000e+00 0.00000e+00 1.68733e+02 86.573  1.12734e+01 86.573  0.9145 
1 1 1 2  25 4  o 1  4.17726e+01 1.73362e+01 5.06459e+01 155.569 -4.86282e-01 2.20908e-01  0.00000e+00 0.00000e+00 3.01619e+01 335.569 8.08078e+01 335.569 0.2580 
1 1 1 2  25 5  o 4  1.28235e+02 4.41393e+01 1.38976e+02 208.992 -2.80250e+00 -1.55293e+00 0.00000e+00 0.00000e+00 6.23435e+01 208.992 7.66330e+01 28.992  0.8240 
1 1 1 2  25 6  o 5  2.59410e+02 3.67630e+01 1.91734e+02 251.067 -3.69984e+00 -1.07861e+01 0.00000e+00 0.00000e+00 2.81623e+02 251.067 8.98888e+01 251.067 0.9551 
1 1 1 2  25 7  o 15 8.47724e+01 3.78871e+01 1.28977e+02 334.761 2.46467e+00  -1.16185e+00 0.00000e+00 0.00000e+00 1.03252e+00 154.761 1.30010e+02 154.761 0.7874 
1 1 1 2  25 8  o 16 6.09679e+01 2.07297e+01 7.27665e+01 322.517 1.14111e+00  -8.75076e-01 0.00000e+00 0.00000e+00 4.67773e+00 142.517 7.74442e+01 142.517 0.5804 
1 1 1 2  25 9  o 15 3.21723e+01 1.52681e+01 4.13686e+01 184.821 -5.01680e-01 -4.23092e-02 0.00000e+00 0.00000e+00 2.61948e+01 4.821   6.75633e+01 4.821   0.2441 
1 1 1 2  25 10 o 17 6.19380e+01 2.62704e+01 2.44196e+02 110.972 -1.95851e+00 5.10958e+00  0.00000e+00 0.00000e+00 1.35565e+02 290.972 3.79761e+02 290.972 0.9033 
1 1 1 2  25 11 o 4  6.83789e+01 2.75592e+01 4.15457e+01 145.507 -7.70994e-01 5.29744e-01  0.00000e+00 0.00000e+00 1.49192e+01 145.507 2.66265e+01 325.507 0.4230 
1 1 1 2  25 12 o 2  3.11296e+01 1.55879e+01 1.45279e+02 286.952 6.06817e-01  -1.99079e+00 0.00000e+00 0.00000e+00 1.01845e+02 106.952 2.47125e+02 106.952 0.7107 
1 1 1 2  25 14 o 17 7.12150e+01 3.33117e+01 7.52313e+00 276.892 2.54835e-02  -2.10825e-01 0.00000e+00 0.00000e+00 7.43423e+00 276.892 8.88989e-02 96.892  0.1056 
1 1 1 2  25 15 o 8  5.63636e+01 2.79890e+01 1.10531e+02 10.499  2.66546e+00  4.93981e-01  0.00000e+00 0.00000e+00 2.17466e+01 190.499 1.32278e+02 190.499 0.7861 
1 1 1 2  25 17 o 14 7.41206e+01 3.39498e+01 9.02880e+01 277.074 3.72155e-01  -2.99895e+00 0.00000e+00 0.00000e+00 3.22141e+01 277.074 5.80739e+01 97.074  0.8116 
1 1 1 2  25 18 o 14 1.27393e+02 2.63211e+01 4.64672e+01 41.734  2.39266e+00  2.13430e+00  0.00000e+00 0.00000e+00 1.69232e+02 41.734  1.22765e+02 41.734  0.8241 
1 1 1 2  25 19 o 17 9.71485e+01 2.95700e+01 1.02614e+02 140.578 -4.40338e+00 3.61979e+00  0.00000e+00 0.00000e+00 8.01969e+01 140.578 2.24167e+01 320.578 0.9074 
1 1 1 2  25 20 o 11 5.88507e+01 2.89248e+01 3.98454e+01 319.174 1.11164e+00  -9.60423e-01 0.00000e+00 0.00000e+00 3.26717e+01 319.174 7.17366e+00 139.174 0.5884 
1 1 1 2  25 21 o 16 3.79338e+01 1.84897e+01 1.47819e+01 204.414 -5.46901e-01 -2.48252e-01 0.00000e+00 0.00000e+00 8.29724e+00 204.414 6.48470e+00 24.414  0.2875 
1 1 1 2  25 22 o 7  6.08222e+01 2.61828e+01 3.11178e+01 219.275 -1.20108e+00 -9.82196e-01 0.00000e+00 0.00000e+00 4.80649e+01 219.275 1.69472e+01 219.275 0.6086 
1 1 1 2  25 23 o 7  3.50924e+01 1.75549e+01 4.36340e+01 65.985  8.86837e-01  1.99046e+00  0.00000e+00 0.00000e+00 1.14161e+01 65.985  3.22178e+01 245.985 0.7251 
1 1 1 2  25 24 o 10 6.34322e+01 2.76207e+01 1.63137e+01 91.640  -2.51609e-02 8.78669e-01  0.00000e+00 0.00000e+00 3.94966e+01 91.640  2.31829e+01 91.640  0.4019 
1 1 1 2  25 25 o 18 5.23835e+01 2.46574e+01 3.99345e+01 319.429 1.61163e+00  -1.37991e+00 0.00000e+00 0.00000e+00 4.32882e+01 319.429 3.35366e+00 319.429 0.7168 
1 1 1 2  25 26 o 5  4.37366e+01 2.14032e+01 1.89659e+01 234.687 -6.47281e-01 -9.13743e-01 0.00000e+00 0.00000e+00 2.88774e+01 234.687 9.91151e+00 234.687 0.4872 
1 1 1 2  25 27 o 8  5.42987e+01 2.58014e+01 5.00277e+00 68.230  1.04707e-01  2.62190e-01  0.00000e+00 0.00000e+00 1.22663e+01 68.230  7.26355e+00 68.230  0.1398 
1 1 1 2  25 28 o 11 5.45593e+01 2.61744e+01 2.89247e+01 44.121  1.23024e+00  1.19305e+00  0.00000e+00 0.00000e+00 5.22284e+01 44.121  2.33038e+01 44.121  0.6447 
1 1 1 2  25 29 o 1  5.11641e+01 2.51231e+01 2.73379e+01 240.670 -8.02655e-01 -1.42856e+00 0.00000e+00 0.00000e+00 4.79357e+01 240.670 2.05978e+01 240.670 0.6286 
1 1 1 2  26 0  o 13 5.00104e+01 3.20574e+01 6.91821e+01 0.000   5.53269e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.02468e+01 180.000 8.94289e+01 180.000 0.5030 
1 1 1 2  26 1  o 13 9.62262e+01 3.23379e+01 5.24885e+01 265.222 -1.15356e-01 -1.38023e+00 0.00000e+00 0.00000e+00 5.35717e+01 265.222 1.08319e+00 265.222 0.5664 
1 1 1 2  26 2  o 1  5.68785e+01 2.31612e+01 4.90164e+01 165.781 -8.55692e-01 2.16832e-01  0.00000e+00 0.00000e+00 4.34397e+00 345.781 5.33604e+01 345.781 0.4033 
1 1 1 2  26 3  o 8  4.64584e+01 2.00080e+01 2.13590e+01 352.453 3.57416e-01  -4.73557e-02 0.00000e+00 0.00000e+00 5.28839e+00 172.453 2.66474e+01 172.453 0.1774 
1 1 1 2  26 4  o 3  1.62194e+02 4.21445e+01 1.58236e+02 301.764 3.28656e+00  -5.30821e+00 0.00000e+00 0.00000e+00 1.31963e+02 301.764 2.62722e+01 121.764 0.9160 
1 1 1 2  26 5  o 11 1.25497e+02 4.71773e+01 1.91720e+02 194.928 -5.08411e+00 -1.35541e+00 0.00000e+00 0.00000e+00 2.91877e+01 194.928 1.62533e+02 14.928  0.8991 
1 1 1 2  26 6  o 17 1.79049e+02 4.54207e+01 1.41780e+02 109.106 -2.03426e+00 5.87266e+00  0.00000e+00 0.00000e+00 1.80054e+02 109.106 3.82736e+01 109.106 0.9156 
1 1 1 2  26 7  o 13 1.01043e+02 4.20112e+01 2.13183e+02 54.749  3.12211e+00  4.41754e+00  0.00000e+00 0.00000e+00 3.36507e+01 234.749 2.46833e+02 234.749 0.9021 
1 1 1 2  26 8  o 15 1.03293e+02 4.26084e+01 9.62273e+01 187.470 -2.42430e+00 -3.17886e-01 0.00000e+00 0.00000e+00 5.87546e+01 187.470 3.74727e+01 7.470   0.7589 
1 1 1 2  26 9  o 10 3.44505e+01 1.61132e+01 5.69089e+01 258.095 -1.79711e-01 -8.52435e-01 0.00000e+00 0.00000e+00 2.96229e+01 78.095  8.65318e+01 78.095  0.3989 
1 1 1 2  26 10 o 8  5.36553e+01 2.27723e+01 4.89028e+01 309.494 6.81431e-01  -8.26805e-01 0.00000e+00 0.00000e+00 1.53153e+00 309.494 4.73712e+01 129.494 0.4711 
1 1 1 2  26 11 o 18 6.23875e+01 2.38427e+01 4.66374e+01 284.197 3.42509e-01  -1.35387e+00 0.00000e+00 0.00000e+00 2.46251e+01 284.197 2.20122e+01 104.197 0.5695 
1 1 1 2  26 12 o 13 4.58930e+01 2.03360e+01 1.09816e+02 26.319  2.44318e+00  1.20848e+00  0.00000e+00 0.00000e+00 3.69082e+01 206.319 1.46724e+02 206.319 0.7875 
1 1 1 2  26 13 o 3  6.71468e+01 3.17920e+01 5.57266e+01 79.692  2.65362e-01  1.45897e+00  0.00000e+00 0.00000e+00 2.49579e+01 79.692  3.07688e+01 259.692 0.5919 
1 1 1 2  26 14 o 10 7.35244e+01 3.35694e+01 5.11490e+01 300.695 8.20622e-01  -1.38234e+00 0.00000e+00 0.00000e+00 4.22722e+01 300.695 8.87678e+00 120.695 0.6216 
1 1 1 2  26 15 o 1  6.56721e+01 2.18148e+01 2.80721e+01 187.871 -1.20549e+00 -1.66650e-01 0.00000e+00 0.00000e+00 4.19728e+01 187.871 1.39007e+01 187.871 0.5180 
1 1 1 2  26 16 o 9  7.35040e+01 3.37143e+01 1.04516e+02 204.643 -3.21721e+00 -1.47586e+00 0.00000e+00 0.00000e+00 2.40931e+01 204.643 8.04232e+01 24.643  0.8431 
1 1 1 2  26 17 o 3  5.35048e+01 2.11207e+01 1.76699e+01 5.661   6.14746e-01  6.09423e-02  0.00000e+00 0.00000e+00 1.53613e+01 5.661   2.30862e+00 185.661 0.2950 
1 1 1 2  26 18 o 11 6.42304e+01 3.08914e+01 9.02351e+01 93.060  -1.75379e-01 3.28060e+00  0.00000e+00 0.00000e+00 2.21808e+01 93.060  6.80544e+01 273.060 0.8290 
1 1 1 2  26 19 o 8  6.66498e+01 2.68003e+01 2.70599e+01 257.758 -2.69308e-01 -1.24117e+00 0.00000e+00 0.00000e+00 4.87723e+01 257.758 2.17124e+01 257.758 0.5339 
1 1 1 2  26 20 o 12 6.91237e+01 3.31046e+01 2.28609e+01 19.229  8.81848e-01  3.07590e-01  0.00000e+00 0.00000e+00 3.99858e+01 19.229  1.71249e+01 19.229  0.4225 
1 1 1 2  26 21 o 5  8.29444e+01 2.87551e+01 8.95003e+00 313.867 3.94551e-01  -4.10467e-01 0.00000e+00 0.00000e+00 4.04158e+01 313.867 3.14658e+01 313.867 0.2737 
1 1 1 2  26 22 o 15 4.61409e+01 2.18095e+01 3.12520e+01 307.962 9.79201e-01  -1.25502e+00 0.00000e+00 0.00000e+00 3.14272e+01 307.962 1.75196e-01 307.962 0.6180 
1 1 1 2  26 23 o 13 4.93538e+01 2.31575e+01 4.41957e+01 145.202 -1.91464e+00 1.33061e+00  0.00000e+00 0.00000e+00 3.75849e+01 145.202 6.61080e+00 325.202 0.7454 
1 1 1 2  26 24 o 10 5.19096e+01 2.47897e+01 1.77762e+01 191.432 -9.51418e-01 -1.92400e-01 0.00000e+00 0.00000e+00 3.31268e+01 191.432 1.53505e+01 191.432 0.4359 
1 1 1 2  26 25 o 5  5.67749e+01 2.58400e+01 1.02989e+01 359.809 5.93816e-01  -1.98231e-03 0.00000e+00 0.00000e+00 2.64957e+01 359.809 1.61967e+01 359.809 0.2845 
1 1 1 2  26 26 o 4  4.03230e+01 2.00478e+01 1.78343e+01 182.921 -1.14378e+00 -5.83665e-02 0.00000e+00 0.00000e+00 2.82608e+01 182.921 1.04265e+01 182.921 0.4955 
1 1 1 2  26 27 f 0  6.47119e+01 2.92515e+01 2.07635e+01 300.997 6.11342e-01  -1.01757e+00 0.00000e+00 0.00000e+00 5.62140e+01 300.997 3.54504e+01 300.997 0.5088 
1 1 1 2  26 28 o 2  4.13931e+01 2.06932e+01 1.93426e+01 313.958 8.94679e-01  -9.27835e-01 0.00000e+00 0.00000e+00 3.35964e+01 313.958 1.42538e+01 313.958 0.5395 
1 1 1 2  27 1  o 16 5.07665e+01 2.31991e+01 5.14417e+01 139.602 -7.16242e-01 6.09524e-01  0.00000e+00 0.00000e+00 8.26253e+00 319.602 5.97043e+01 319.602 0.4249 
1 1 1 2  27 2  o 4  6.34709e+01 2.56150e+01 1.16365e+02 202.956 -2.34472e+00 -9.93151e-01 0.00000e+00 0.00000e+00 1.84684e+01 22.956  1.34834e+02 22.956  0.7699 
1 1 1 2  27 3  o 18 1.25765e+02 2.38372e+01 7.61829e+01 192.031 -3.71743e+00 -7.92276e-01 0.00000e+00 0.00000e+00 1.39599e+02 192.031 6.34156e+01 192.031 0.8554 
1 1 1 2  27 4  o 1  1.09231e+02 2.33762e+01 4.83243e+01 130.248 -1.35855e+00 1.60490e+00  0.00000e+00 0.00000e+00 1.08371e+02 130.248 6.00464e+01 130.248 0.7139 
1 1 1 2  27 5  o 18 1.02636e+02 2.13467e+01 6.03305e+01 339.130 2.46597e+00  -9.40195e-01 0.00000e+00 0.00000e+00 1.00752e+02 339.130 4.04214e+01 339.130 0.7793 
1 1 1 2  27 6  o 17 6.46348e+01 3.07236e+01 5.60630e+01 309.676 8.10038e-01  -9.76540e-01 0.00000e+00 0.00000e+00 1.35826e+01 309.676 4.24804e+01 129.676 0.5336 
1 1 1 2  27 7  o 7  7.28703e+01 3.39495e+01 1.29331e+02 48.667  2.34873e+00  2.67038e+00  0.00000e+00 0.00000e+00 4.72185e+00 228.667 1.34053e+02 228.667 0.8440 
1 1 1 2  27 8  o 17 7.15792e+01 3.34364e+01 5.48903e+01 84.421  1.52238e-01  1.55849e+00  0.00000e+00 0.00000e+00 3.42038e+01 84.421  2.06865e+01 264.421 0.6120 
1 1 1 2  27 9  o 2  1.24331e+02 2.30476e+01 1.45745e+02 165.042 -9.06656e+00 2.42232e+00  0.00000e+00 0.00000e+00 9.42653e+01 165.042 5.14795e+01 345.042 0.9451 
1 1 1 2  27 10 o 4  2.35292e+01 1.19191e+01 1.19960e+02 244.112 -7.82195e-01 -1.61172e+00 0.00000e+00 0.00000e+00 8.80701e+01 64.112  2.08030e+02 64.112  0.6604 
1 1 1 2  27 11 o 12 2.55811e+01 1.25254e+01 8.07000e+01 286.136 3.47187e-01  -1.19999e+00 0.00000e+00 0.00000e+00 5.28451e+01 106.136 1.33545e+02 106.136 0.5278 
1 1 1 2  27 13 o 17 8.97394e+01 3.61420e+01 1.62995e+01 244.501 -2.64705e-01 -5.54986e-01 0.00000e+00 0.00000e+00 3.87552e+01 244.501 2.24557e+01 244.501 0.2938 
1 1 1 2  27 14 o 7  4.66831e+01 2.05117e+01 1.19695e+02 3.401   3.92457e+00  2.33237e-01  0.00000e+00 0.00000e+00 3.51978e+01 183.401 1.54893e+02 183.401 0.8608 
1 1 1 2  27 15 o 15 8.62797e+01 2.76280e+01 9.33118e+01 118.241 -2.05169e+00 3.81980e+00  0.00000e+00 0.00000e+00 6.66451e+01 118.241 2.66667e+01 298.241 0.8753 
1 1 1 2  27 16 o 11 6.95094e+01 2.14906e+01 3.07264e+01 260.740 -2.60254e-01 -1.59628e+00 0.00000e+00 0.00000e+00 6.18380e+01 260.740 3.11115e+01 260.740 0.6238 
1 1 1 2  27 17 o 9  9.86226e+01 2.15334e+01 8.91439e+01 33.125  6.11373e+00  3.98932e+00  0.00000e+00 0.00000e+00 1.08015e+02 33.125  1.88709e+01 33.125  0.9287 
1 1 1 2  27 18 o 7  6.29459e+01 2.32856e+01 8.28194e+01 159.319 -4.25165e+00 1.60496e+00  0.00000e+00 0.00000e+00 3.76926e+01 159.319 4.51268e+01 339.319 0.8816 
1 1 1 2  27 19 o 13 4.57854e+01 2.04257e+01 2.05468e+01 38.299  7.92913e-01  6.26176e-01  0.00000e+00 0.00000e+00 2.46195e+01 38.299  4.07277e+00 38.299  0.4500 
1 1 1 2  27 20 o 7  4.80913e+01 2.14761e+01 2.28477e+01 227.198 -8.58869e-01 -9.27440e-01 0.00000e+00 0.00000e+00 3.38049e+01 227.198 1.09572e+01 227.198 0.5322 
1 1 1 2  27 21 o 18 7.07780e+01 3.19130e+01 4.10677e+01 278.665 2.93349e-01  -1.92490e+00 0.00000e+00 0.00000e+00 6.79872e+01 278.665 2.69196e+01 278.665 0.6889 
1 1 1 2  27 22 o 6  4.81557e+01 2.24553e+01 3.89076e+01 20.249  1.96714e+00  7.25698e-01  0.00000e+00 0.00000e+00 3.87281e+01 20.249  1.79422e-01 200.249 0.7130 
1 1 1 2  27 23 o 18 5.96650e+01 2.57995e+01 2.22060e+01 158.009 -1.20632e+00 4.87170e-01  0.00000e+00 0.00000e+00 5.18753e+01 158.009 2.96693e+01 158.009 0.5429 
1 1 1 2  27 24 o 7  4.54335e+01 2.18593e+01 2.85246e+01 304.502 9.43311e-01  -1.37243e+00 0.00000e+00 0.00000e+00 3.81773e+01 304.502 9.65276e+00 304.502 0.6344 
1 1 1 2  27 25 o 8  6.65763e+01 2.86681e+01 2.08080e+01 97.038  -1.50818e-01 1.22167e+00  0.00000e+00 0.00000e+00 6.06532e+01 97.038  3.98452e+01 97.038  0.5223 
1 1 1 2  27 26 f 0  5.55353e+01 2.57080e+01 1.90783e+01 129.234 -7.32862e-01 8.97495e-01  0.00000e+00 0.00000e+00 4.67930e+01 129.234 2.77146e+01 129.234 0.4998 
1 1 1 2  27 27 o 4  5.06553e+01 2.42747e+01 2.28712e+00 151.906 -1.27153e-01 6.78757e-02  0.00000e+00 0.00000e+00 6.47022e+00 151.906 4.18310e+00 151.906 0.0719 
1 1 1 2  28 1  o 17 5.85928e+01 2.57141e+01 7.09552e+01 177.897 -2.04077e+00 7.49299e-02  0.00000e+00 0.00000e+00 1.41411e+01 177.897 5.68141e+01 357.897 0.7046 
1 1 1 2  28 2  o 9  6.50815e+01 2.63600e+01 5.71394e+01 297.081 8.16305e-01  -1.59654e+00 0.00000e+00 0.00000e+00 3.15621e+01 297.081 2.55773e+01 117.081 0.6607 
1 1 1 2  28 3  o 11 4.76402e+01 2.10828e+01 3.37041e+01 192.244 -8.61722e-01 -1.87011e-01 0.00000e+00 0.00000e+00 5.94442e+00 192.244 2.77597e+01 12.244  0.4029 
1 1 1 2  28 4  o 19 6.47854e+01 3.08880e+01 9.28589e+01 89.003  4.44293e-02  2.55359e+00  0.00000e+00 0.00000e+00 1.04574e+01 89.003  8.24014e+01 269.003 0.7707 
1 1 1 2  28 5  o 14 5.26021e+01 2.00456e+01 3.41061e+01 334.132 8.88657e-01  -4.30888e-01 0.00000e+00 0.00000e+00 1.41082e+01 334.132 1.99978e+01 154.132 0.4420 
1 1 1 2  28 6  o 13 5.11345e+01 2.54029e+01 2.58971e+01 269.757 -2.69740e-03 -6.36286e-01 0.00000e+00 0.00000e+00 6.32966e+00 269.757 1.95674e+01 89.757  0.3031 
1 1 1 2  28 7  o 15 6.72507e+01 3.09406e+01 6.33620e+01 188.609 -1.71161e+00 -2.59125e-01 0.00000e+00 0.00000e+00 2.76015e+01 188.609 3.57605e+01 8.609   0.6483 
1 1 1 2  28 8  o 6  5.17829e+01 2.52263e+01 6.18099e+01 355.698 1.75578e+00  -1.32094e-01 0.00000e+00 0.00000e+00 9.14847e+00 355.698 5.26614e+01 175.698 0.6543 
1 1 1 2  28 9  o 8  4.59386e+01 1.95930e+01 1.23940e+02 64.026  1.62123e+00  3.32780e+00  0.00000e+00 0.00000e+00 4.17155e+01 244.026 1.65655e+02 244.026 0.8510 
1 1 1 2  28 10 o 2  5.69599e+01 2.68294e+01 7.38833e+00 21.409  2.22774e-01  8.73428e-02  0.00000e+00 0.00000e+00 6.91199e+00 21.409  4.76342e-01 201.409 0.1188 
1 1 1 2  28 11 o 9  4.79297e+01 2.34404e+01 3.05681e+01 337.321 8.75958e-01  -3.66037e-01 0.00000e+00 0.00000e+00 1.30324e+01 337.321 1.75358e+01 157.321 0.4282 
1 1 1 2  28 13 o 4  6.91958e+01 3.14787e+01 5.40591e+01 272.967 9.20258e-02  -1.77541e+00 0.00000e+00 0.00000e+00 4.38092e+01 272.967 1.02499e+01 92.967  0.6577 
1 1 1 2  28 14 o 15 5.38029e+01 2.62324e+01 3.04011e+01 127.492 -6.72237e-01 8.76338e-01  0.00000e+00 0.00000e+00 2.57705e+01 127.492 4.63062e+00 307.492 0.4822 
1 1 1 2  28 15 o 19 7.16642e+01 2.59931e+01 7.54455e+01 263.972 -3.96376e-01 -3.75346e+00 0.00000e+00 0.00000e+00 5.80778e+01 263.972 1.73677e+01 83.972  0.8542 
1 1 1 2  28 16 o 19 6.84859e+01 2.67102e+01 8.64730e+01 338.283 4.12450e+00  -1.64277e+00 0.00000e+00 0.00000e+00 4.57856e+01 338.283 4.06874e+01 158.283 0.8785 
1 1 1 2  28 17 o 4  4.99279e+01 2.31602e+01 8.76025e+01 92.797  -1.94557e-01 3.98219e+00  0.00000e+00 0.00000e+00 7.90654e+00 92.797  7.96960e+01 272.797 0.8630 
1 1 1 2  28 18 o 17 3.55445e+01 1.64354e+01 2.59649e+01 334.656 1.19539e+00  -5.66179e-01 0.00000e+00 0.00000e+00 1.76844e+01 334.656 8.28048e+00 154.656 0.5491 
1 1 1 2  28 19 o 18 6.29234e+01 2.37978e+01 1.66526e+01 173.092 -1.02730e+00 1.24465e-01  0.00000e+00 0.00000e+00 4.84805e+01 173.092 3.18279e+01 173.092 0.4586 
1 1 1 2  28 20 o 13 5.72914e+01 2.37928e+01 4.51261e+01 191.892 -2.59399e+00 -5.46276e-01 0.00000e+00 0.00000e+00 5.67981e+01 191.892 1.16720e+01 191.892 0.7805 
1 1 1 2  28 21 o 2  6.71751e+01 3.07871e+01 1.96736e+01 296.643 4.25797e-01  -8.48724e-01 0.00000e+00 0.00000e+00 4.65799e+01 296.643 2.69062e+01 296.643 0.4282 
1 1 1 2  28 22 o 14 4.90016e+01 2.27568e+01 1.17135e+01 138.773 -5.32172e-01 4.66332e-01  0.00000e+00 0.00000e+00 2.63184e+01 138.773 1.46049e+01 138.773 0.3334 
1 1 1 2  28 23 f 0  6.21055e+01 2.68146e+01 1.22519e+01 119.473 -3.59065e-01 6.35348e-01  0.00000e+00 0.00000e+00 3.78501e+01 119.473 2.55983e+01 119.473 0.3426 
1 1 1 2  28 24 f 0  4.73857e+01 2.24408e+01 1.05365e+01 12.491  6.35106e-01  1.40696e-01  0.00000e+00 0.00000e+00 2.43750e+01 12.491  1.38385e+01 12.491  0.3092 
1 1 1 2  28 25 o 11 3.41126e+01 1.71696e+01 2.30102e+01 234.369 -9.61677e-01 -1.34174e+00 0.00000e+00 0.00000e+00 2.89417e+01 234.369 5.93144e+00 234.369 0.6313 
1 1 1 2  28 26 o 2  3.96441e+01 1.98933e+01 1.48874e+01 304.800 5.83045e-01  -8.38902e-01 0.00000e+00 0.00000e+00 2.90966e+01 304.800 1.42092e+01 304.800 0.4540 
1 1 1 2  29 1  o 19 5.19217e+01 2.39399e+01 4.08304e+01 269.088 -1.93249e-02 -1.21373e+00 0.00000e+00 0.00000e+00 1.62161e+01 269.088 2.46142e+01 89.088  0.5171 
1 1 1 2  29 2  o 18 4.93598e+01 2.25997e+01 5.32497e+01 46.037  1.08431e+00  1.12431e+00  0.00000e+00 0.00000e+00 1.08922e+01 46.037  4.23575e+01 226.037 0.6111 
1 1 1 2  29 3  f 0  6.69537e+01 2.53861e+01 3.99675e+01 85.660  1.10696e-01  1.45863e+00  0.00000e+00 0.00000e+00 4.36861e+01 85.660  3.71859e+00 85.660  0.5868 
1 1 1 2  29 4  o 11 7.34639e+01 2.45945e+01 4.11483e+01 217.037 -1.36765e+00 -1.03197e+00 0.00000e+00 0.00000e+00 5.98595e+01 217.037 1.87112e+01 217.037 0.6446 
1 1 1 2  29 5  o 4  5.89812e+01 2.72632e+01 1.06695e+02 13.410  3.18840e+00  7.60149e-01  0.00000e+00 0.00000e+00 2.21821e+00 193.410 1.08913e+02 193.410 0.8286 
1 1 1 2  29 6  o 3  5.16343e+01 2.45812e+01 8.75093e+01 77.878  5.81043e-01  2.70523e+00  0.00000e+00 0.00000e+00 6.43896e-02 77.878  8.74449e+01 257.878 0.7912 
1 1 1 2  29 7  o 4  6.60956e+01 2.94526e+01 1.05426e+02 223.119 -2.64118e+00 -2.47321e+00 0.00000e+00 0.00000e+00 1.49885e+01 223.119 9.04373e+01 43.119  0.8471 
1 1 1 2  29 8  o 4  4.75212e+01 1.83622e+01 4.79962e+01 211.271 -1.48242e+00 -9.00290e-01 0.00000e+00 0.00000e+00 1.85843e+01 211.271 2.94119e+01 31.271  0.6490 
1 1 1 2  29 9  o 5  3.31277e+01 1.53896e+01 4.85668e+01 192.424 -1.17525e+00 -2.58907e-01 0.00000e+00 0.00000e+00 1.16587e+01 12.424  6.02256e+01 12.424  0.5138 
1 1 1 2  29 10 o 4  4.80828e+01 2.36306e+01 6.09246e+01 323.969 1.45267e+00  -1.05662e+00 0.00000e+00 0.00000e+00 8.35139e+00 323.969 5.25732e+01 143.969 0.6613 
1 1 1 2  29 12 f 0  8.28857e+01 3.53218e+01 4.63786e+01 258.838 -3.53491e-01 -1.79154e+00 0.00000e+00 0.00000e+00 7.54171e+01 258.838 2.90385e+01 258.838 0.6670 
1 1 1 2  29 13 o 13 6.53883e+01 3.06437e+01 3.19692e+01 112.110 -4.71323e-01 1.16014e+00  0.00000e+00 0.00000e+00 4.46633e+01 112.110 1.26941e+01 112.110 0.5287 
1 1 1 2  29 14 o 1  6.31348e+01 3.02531e+01 7.04032e+01 156.889 -2.61208e+00 1.11474e+00  0.00000e+00 0.00000e+00 4.19670e+01 156.889 2.84361e+01 336.889 0.7974 
1 1 1 2  29 15 o 3  8.47581e+01 3.74714e+01 4.63634e+01 264.042 -1.96616e-01 -1.88404e+00 0.00000e+00 0.00000e+00 8.31516e+01 264.042 3.67882e+01 264.042 0.6796 
1 1 1 2  29 16 o 15 5.55486e+01 2.34165e+01 5.52892e+01 6.556   3.01745e+00  3.46769e-01  0.00000e+00 0.00000e+00 4.70097e+01 6.556   8.27951e+00 186.556 0.8127 
1 1 1 2  29 17 o 6  5.03789e+01 2.29192e+01 3.18584e+01 138.044 -1.23365e+00 1.10908e+00  0.00000e+00 0.00000e+00 4.10121e+01 138.044 9.15375e+00 138.044 0.6330 
1 1 1 2  29 18 o 7  8.28102e+01 2.32101e+01 2.27777e+01 57.542  1.04696e+00  1.64604e+00  0.00000e+00 0.00000e+00 1.08849e+02 57.542  8.60716e+01 57.542  0.6895 
1 1 1 2  29 19 o 16 5.40659e+01 2.16250e+01 1.53682e+01 262.141 -1.32165e-01 -9.57515e-01 0.00000e+00 0.00000e+00 3.92836e+01 262.141 2.39153e+01 262.141 0.4344 
1 1 1 2  29 20 o 16 3.70748e+01 1.75228e+01 4.19943e+01 233.119 -1.52880e+00 -2.03761e+00 0.00000e+00 0.00000e+00 2.50921e+01 233.119 1.69022e+01 53.119  0.7701 
1 1 1 2  29 21 o 14 5.45630e+01 2.31658e+01 2.65092e+01 47.247  1.15110e+00  1.24513e+00  0.00000e+00 0.00000e+00 5.65195e+01 47.247  3.00103e+01 47.247  0.6409 
1 1 1 2  29 22 o 15 5.04603e+01 2.48925e+01 2.55011e+01 57.616  7.64607e-01  1.20559e+00  0.00000e+00 0.00000e+00 4.44675e+01 57.616  1.89664e+01 57.616  0.5777 
1 1 1 2  29 23 o 16 4.18624e+01 2.04195e+01 1.23082e+01 350.367 8.06637e-01  -1.36906e-01 0.00000e+00 0.00000e+00 2.61334e+01 350.367 1.38252e+01 350.367 0.3783 
1 1 1 2  29 24 o 12 4.95937e+01 2.30569e+01 2.21135e+01 102.538 -3.08516e-01 1.38722e+00  0.00000e+00 0.00000e+00 4.80600e+01 102.538 2.59465e+01 102.538 0.5760 
1 1 1 2  29 25 o 1  4.21274e+01 2.06171e+01 2.77570e+01 175.433 -1.87671e+00 1.49924e-01  0.00000e+00 0.00000e+00 4.32292e+01 175.433 1.54721e+01 175.433 0.6775 
1 1 1 2  30 0  o 5  5.77031e+01 3.65756e+01 4.84140e+01 0.000   8.34980e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.80029e+01 0.000   1.04111e+01 180.000 0.6831 
1 1 1 2  30 1  o 16 4.87788e+01 2.27308e+01 1.42098e+01 172.218 -4.55793e-01 6.22858e-02  0.00000e+00 0.00000e+00 9.76433e+00 172.218 4.44546e+00 352.219 0.2241 
1 1 1 2  30 2  f 0  5.47991e+01 2.37307e+01 3.69141e+01 255.206 -3.07939e-01 -1.16599e+00 0.00000e+00 0.00000e+00 2.49721e+01 255.206 1.19420e+01 75.206  0.5146 
1 1 1 2  30 3  o 8  4.07196e+01 1.92751e+01 2.27452e+01 317.980 4.67880e-01  -4.21574e-01 0.00000e+00 0.00000e+00 4.11815e+00 317.980 1.86270e+01 137.980 0.3002 
1 1 1 2  30 4  o 19 4.71338e+01 2.31315e+01 7.81979e+01 278.992 3.47998e-01  -2.19910e+00 0.00000e+00 0.00000e+00 2.28969e+00 98.992  8.04875e+01 98.992  0.7317 
1 1 1 2  30 5  o 1  8.31902e+01 2.32302e+01 3.32341e+01 51.835  1.06813e+00  1.35908e+00  0.00000e+00 0.00000e+00 8.56501e+01 51.835  5.24160e+01 51.835  0.6478 
1 1 1 2  30 6  o 7  3.73027e+01 1.66282e+01 6.10259e+00 0.620   1.72973e-01  1.87164e-03  0.00000e+00 0.00000e+00 1.00836e+00 0.620   5.09423e+00 180.620 0.0862 
1 1 1 2  30 7  o 13 5.90911e+01 2.74428e+01 3.69058e+01 3.754   1.33865e+00  8.78277e-02  0.00000e+00 0.00000e+00 3.58116e+01 3.754   1.09424e+00 183.754 0.5544 
1 1 1 2  30 8  o 7  8.04324e+01 3.36471e+01 1.19713e+02 116.246 -2.15348e+00 4.36768e+00  0.00000e+00 0.00000e+00 3.98206e+01 116.246 7.98922e+01 296.246 0.8903 
1 1 1 2  30 9  o 8  4.07128e+01 1.76255e+01 2.22532e+01 273.871 5.99320e-02  -8.85786e-01 0.00000e+00 0.00000e+00 1.46608e+01 273.871 7.59242e+00 93.871  0.4052 
1 1 1 2  30 10 o 3  4.67443e+01 2.32798e+01 8.25961e+01 328.502 2.67975e+00  -1.64202e+00 0.00000e+00 0.00000e+00 3.58071e+00 328.502 7.90153e+01 148.502 0.8200 
1 1 1 2  30 12 o 4  6.71693e+01 3.12015e+01 5.89278e+01 326.714 2.07746e+00  -1.36390e+00 0.00000e+00 0.00000e+00 5.76371e+01 326.714 1.29070e+00 146.714 0.7634 
1 1 1 2  30 13 o 11 5.68205e+01 2.77062e+01 3.46151e+01 61.984  6.92744e-01  1.30197e+00  0.00000e+00 0.00000e+00 4.20569e+01 61.984  7.44181e+00 61.984  0.5898 
1 1 1 2  30 14 o 3  6.51370e+01 3.12768e+01 5.16715e+01 45.574  1.55794e+00  1.58945e+00  0.00000e+00 0.00000e+00 5.80853e+01 45.574  6.41384e+00 45.574  0.7316 
1 1 1 2  30 15 o 5  6.27866e+01 3.02936e+01 1.15162e+01 251.022 -1.64737e-01 -4.79041e-01 0.00000e+00 0.00000e+00 2.42474e+01 251.022 1.27312e+01 251.022 0.2455 
1 1 1 2  30 16 o 4  6.25756e+01 3.04843e+01 7.05441e+01 144.081 -2.50414e+00 1.81398e+00  0.00000e+00 0.00000e+00 4.89441e+01 144.081 2.16000e+01 324.081 0.8166 
1 1 1 2  30 17 o 1  5.05551e+01 2.24876e+01 4.46423e+01 257.537 -5.37115e-01 -2.43015e+00 0.00000e+00 0.00000e+00 4.64054e+01 257.537 1.76303e+00 257.537 0.7638 
1 1 1 2  30 18 o 8  6.50456e+01 2.27612e+01 3.46042e+01 309.161 1.64817e+00  -2.02366e+00 0.00000e+00 0.00000e+00 8.55392e+01 309.161 5.09351e+01 309.161 0.7764 
1 1 1 2  30 19 o 3  5.12259e+01 2.09628e+01 3.05994e+01 131.027 -1.39114e+00 1.59883e+00  0.00000e+00 0.00000e+00 5.75230e+01 131.027 2.69236e+01 131.027 0.7164 
1 1 1 2  30 20 o 13 4.03269e+01 1.85023e+01 3.02777e+01 337.417 1.86056e+00  -7.73825e-01 0.00000e+00 0.00000e+00 3.81976e+01 337.417 7.91982e+00 337.417 0.7002 
1 1 1 2  30 21 o 19 4.38149e+01 2.00051e+01 7.79636e+00 0.224   5.23051e-01  2.04087e-03  0.00000e+00 0.00000e+00 1.93607e+01 0.224   1.15644e+01 0.224   0.2530 
1 1 1 2  30 22 o 14 4.24907e+01 2.00108e+01 2.63441e+01 188.904 -1.78092e+00 -2.79013e-01 0.00000e+00 0.00000e+00 4.33844e+01 188.904 1.70403e+01 188.904 0.6626 
1 1 1 2  30 23 o 15 6.01300e+01 3.05127e+01 1.51736e+01 16.986  6.85012e-01  2.09250e-01  0.00000e+00 0.00000e+00 3.55843e+01 16.986  2.04108e+01 16.986  0.3370 
1 1 1 2  31 0  o 9  5.49232e+01 3.29752e+01 3.52772e+00 180.000 -7.31965e-02 -0.00000e+00 0.00000e+00 0.00000e+00 5.56062e+00 180.000 2.03290e+00 180.000 0.0731 
1 1 1 2  31 1  o 13 5.95415e+01 2.68048e+01 4.10581e+01 194.236 -1.55686e+00 -3.94990e-01 0.00000e+00 0.00000e+00 4.27428e+01 194.236 1.68467e+00 194.236 0.6213 
1 1 1 2  31 2  o 9  7.07812e+01 2.52929e+01 1.65314e+01 267.218 -3.95862e-02 -8.14766e-01 0.00000e+00 0.00000e+00 4.40130e+01 267.218 2.74817e+01 267.218 0.3773 
1 1 1 2  31 3  o 10 6.16564e+01 2.46873e+01 5.40807e+01 235.971 -1.33021e+00 -1.96996e+00 0.00000e+00 0.00000e+00 5.10130e+01 235.971 3.06767e+00 55.971  0.7509 
1 1 1 2  31 4  o 17 5.74935e+01 2.30500e+01 3.12372e+01 14.031  1.37320e+00  3.43155e-01  0.00000e+00 0.00000e+00 4.38713e+01 14.031  1.26341e+01 14.031  0.5745 
1 1 1 2  31 5  o 11 7.48767e+01 2.41850e+01 5.37297e+01 125.076 -1.73277e+00 2.46768e+00  0.00000e+00 0.00000e+00 8.46834e+01 125.076 3.09537e+01 125.076 0.8111 
1 1 1 2  31 6  o 4  5.69776e+01 2.16675e+01 8.45643e+01 227.635 -2.82703e+00 -3.09980e+00 0.00000e+00 0.00000e+00 2.88051e+01 227.635 5.57592e+01 47.635  0.8706 
1 1 1 2  31 7  o 5  4.84070e+01 2.37264e+01 1.74406e+01 38.458  5.24197e-01  4.16332e-01  0.00000e+00 0.00000e+00 1.77723e+01 38.458  3.31676e-01 38.458  0.3173 
1 1 1 2  31 8  o 11 6.80655e+01 2.20617e+01 1.66565e+01 90.569  -1.03253e-02 1.04035e+00  0.00000e+00 0.00000e+00 5.54877e+01 90.569  3.88312e+01 90.569  0.4605 
1 1 1 2  31 9  o 11 3.81720e+01 1.64165e+01 4.59567e+01 346.754 2.15599e+00  -5.07513e-01 0.00000e+00 0.00000e+00 1.84612e+01 346.754 2.74956e+01 166.754 0.7301 
1 1 1 2  31 10 o 4  7.28951e+01 3.33514e+01 4.83131e+01 63.540  9.01426e-01  1.81111e+00  0.00000e+00 0.00000e+00 7.04563e+01 63.540  2.21432e+01 63.540  0.7015 
1 1 1 2  31 12 o 16 6.44543e+01 3.08361e+01 1.29005e+01 263.969 -5.99465e-02 -5.67439e-01 0.00000e+00 0.00000e+00 2.86175e+01 263.969 1.57170e+01 263.969 0.2743 
1 1 1 2  31 13 o 12 6.06015e+01 2.94447e+01 3.41958e+01 344.897 1.47289e+00  -3.97512e-01 0.00000e+00 0.00000e+00 5.20795e+01 344.897 1.78836e+01 344.897 0.6024 
1 1 1 2  31 14 o 17 6.97728e+01 3.30897e+01 2.99888e+01 316.288 9.34268e-01  -8.93176e-01 0.00000e+00 0.00000e+00 5.97473e+01 316.288 2.97585e+01 316.288 0.5405 
1 1 1 2  31 15 o 15 5.19952e+01 2.61270e+01 5.62064e+01 41.689  1.97587e+00  1.75978e+00  0.00000e+00 0.00000e+00 4.10013e+01 41.689  1.52051e+01 221.689 0.7800 
1 1 1 2  31 16 o 8  6.20445e+01 3.06740e+01 2.89701e+01 117.043 -5.92504e-01 1.16072e+00  0.00000e+00 0.00000e+00 5.25046e+01 117.043 2.35345e+01 117.043 0.5436 
1 1 1 2  31 17 o 7  6.67917e+01 3.26180e+01 2.48310e+01 214.666 -9.06591e-01 -6.26966e-01 0.00000e+00 0.00000e+00 5.35015e+01 214.666 2.86704e+01 214.666 0.4815 
1 1 1 2  31 18 o 19 4.33825e+01 2.01068e+01 2.07153e+01 226.956 -8.96129e-01 -9.59512e-01 0.00000e+00 0.00000e+00 3.75346e+01 226.956 1.68193e+01 226.956 0.5464 
1 1 1 2  31 19 o 2  5.08989e+01 2.11852e+01 2.40554e+01 242.316 -8.00552e-01 -1.52585e+00 0.00000e+00 0.00000e+00 5.75888e+01 242.316 3.35334e+01 242.316 0.6466 
1 1 1 2  31 20 o 4  9.13800e+01 2.52959e+01 4.38046e+01 61.038  2.10249e+00  3.79893e+00  0.00000e+00 0.00000e+00 1.56608e+02 61.038  1.12803e+02 61.038  0.8755 
1 1 1 2  31 21 o 8  4.25215e+01 1.95031e+01 1.62557e+01 51.153  7.38619e-01  9.17116e-01  0.00000e+00 0.00000e+00 3.81794e+01 51.153  2.19237e+01 51.153  0.5058 
1 1 1 2  31 22 o 4  4.65051e+01 2.12377e+01 2.98350e+01 271.534 5.57020e-02  -2.07991e+00 0.00000e+00 0.00000e+00 5.47195e+01 271.534 2.48845e+01 271.534 0.7106 
1 1 1 2  32 0  f 0  3.61743e+01 2.48426e+01 1.06480e+01 180.000 -2.31249e-01 0.00000e+00  0.00000e+00 0.00000e+00 8.60216e+00 180.000 2.04579e+00 0.000   0.2272 
1 1 1 2  32 1  o 11 4.75907e+01 2.30796e+01 4.33865e+01 310.170 1.21567e+00  -1.44007e+00 0.00000e+00 0.00000e+00 3.21897e+01 310.170 1.11967e+01 130.170 0.6779 
1 1 1 2  32 2  o 1  5.01473e+01 2.18364e+01 1.52771e+01 140.982 -5.77176e-01 4.67680e-01  0.00000e+00 0.00000e+00 2.56323e+01 140.982 1.03552e+01 140.982 0.3480 
1 1 1 2  32 3  o 18 5.76092e+01 2.36567e+01 5.47104e+01 180.497 -2.78855e+00 -2.42018e-02 0.00000e+00 0.00000e+00 5.25364e+01 180.497 2.17407e+00 0.497   0.7931 
1 1 1 2  32 4  o 10 4.46653e+01 2.00822e+01 3.29762e+01 26.158  1.44595e+00  7.10185e-01  0.00000e+00 0.00000e+00 3.23943e+01 26.158  5.81851e-01 206.158 0.6224 
1 1 1 2  32 5  o 10 4.88967e+01 2.09725e+01 4.13653e+01 106.705 -6.05508e-01 2.01757e+00  0.00000e+00 0.00000e+00 4.09774e+01 106.705 3.87928e-01 286.705 0.7145 
1 1 1 2  32 6  o 17 4.50625e+01 1.92354e+01 2.03953e+01 157.024 -1.04625e+00 4.43577e-01  0.00000e+00 0.00000e+00 3.20714e+01 157.024 1.16761e+01 157.024 0.4926 
1 1 1 2  32 7  f 0  4.85841e+01 2.39618e+01 3.23584e+01 67.845  5.62326e-01  1.38104e+00  0.00000e+00 0.00000e+00 3.60643e+01 67.845  3.70594e+00 67.845  0.5939 
1 1 1 2  32 8  o 2  4.24848e+01 2.02292e+01 3.29822e+01 310.815 1.11486e+00  -1.29087e+00 0.00000e+00 0.00000e+00 3.20405e+01 310.815 9.41697e-01 130.815 0.6430 
1 1 1 2  32 9  o 1  6.47539e+01 3.04192e+01 6.16823e+01 312.516 1.85164e+00  -2.01956e+00 0.00000e+00 0.00000e+00 6.04078e+01 312.516 1.27450e+00 132.516 0.7888 
1 1 1 2  32 11 o 7  5.70945e+01 2.80069e+01 2.47377e+01 120.189 -5.64523e-01 9.70369e-01  0.00000e+00 0.00000e+00 4.25609e+01 120.189 1.78232e+01 120.189 0.4882 
1 1 1 2  32 12 o 3  5.58281e+01 2.76855e+01 2.05326e+01 83.217  1.09895e-01  9.23960e-01  0.00000e+00 0.00000e+00 3.65791e+01 83.217  1.60464e+01 83.217  0.4212 
1 1 1 2  32 13 o 14 6.63031e+01 3.19657e+01 1.10170e+01 120.904 -2.44821e-01 4.09004e-01  0.00000e+00 0.00000e+00 2.65482e+01 120.904 1.55312e+01 120.904 0.2318 
1 1 1 2  32 14 o 13 5.26236e+01 2.64197e+01 4.64214e+01 246.628 -9.18921e-01 -2.12638e+00 0.00000e+00 0.00000e+00 4.98523e+01 246.628 3.43094e+00 246.628 0.7435 
1 1 1 2  32 15 o 13 6.38885e+01 3.14530e+01 2.33532e+01 194.621 -1.00793e+00 -2.62945e-01 0.00000e+00 0.00000e+00 4.96472e+01 194.621 2.62940e+01 194.621 0.4610 
1 1 1 2  32 16 o 2  5.76246e+01 2.87978e+01 4.78987e+01 347.027 2.20274e+00  -5.07468e-01 0.00000e+00 0.00000e+00 5.80894e+01 347.027 1.01906e+01 347.027 0.7362 
1 1 1 2  32 17 o 13 5.56869e+01 2.80789e+01 9.41325e+00 146.671 -3.80643e-01 2.50309e-01  0.00000e+00 0.00000e+00 2.17398e+01 146.671 1.23265e+01 146.671 0.2221 
1 1 1 2  32 18 o 16 4.44237e+01 2.28412e+01 3.49583e+01 144.590 -1.61969e+00 1.15146e+00  0.00000e+00 0.00000e+00 4.35842e+01 144.590 8.62591e+00 144.590 0.6957 
1 1 1 2  32 19 o 9  4.79616e+01 2.19817e+01 3.88675e+01 313.539 1.75127e+00  -1.84296e+00 0.00000e+00 0.00000e+00 5.58113e+01 313.539 1.69438e+01 313.539 0.7695 
1 1 1 2  32 20 o 2  4.53593e+01 1.99344e+01 1.92448e+00 64.916  6.13142e-02  1.30986e-01  0.00000e+00 0.00000e+00 6.55089e+00 64.916  4.62641e+00 64.916  0.0721 
1 1 1 2  33 0  o 5  4.23849e+01 2.84427e+01 1.40588e+01 180.000 -3.56459e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.10975e+01 180.000 7.03868e+00 180.000 0.3421 
1 1 1 2  33 1  o 6  5.24739e+01 2.51988e+01 9.98735e+00 200.168 -4.40969e-01 -1.61966e-01 0.00000e+00 0.00000e+00 1.91097e+01 200.168 9.12238e+00 200.168 0.2286 
1 1 1 2  33 2  o 9  4.49043e+01 2.06688e+01 3.31558e+00 32.578  1.45131e-01  9.27382e-02  0.00000e+00 0.00000e+00 6.03530e+00 32.578  2.71972e+00 32.578  0.0858 
1 1 1 2  33 3  o 3  3.83173e+01 1.84427e+01 4.42963e+01 305.074 1.28335e+00  -1.82777e+00 0.00000e+00 0.00000e+00 2.39216e+01 305.074 2.03747e+01 125.074 0.7326 
1 1 1 2  33 4  o 6  3.45152e+01 1.67490e+01 3.72366e+01 110.773 -6.61457e-01 1.74375e+00  0.00000e+00 0.00000e+00 1.94228e+01 110.773 1.78139e+01 290.773 0.6743 
1 1 1 2  33 5  o 17 3.06973e+01 1.50215e+01 2.87812e+01 150.233 -1.27950e+00 7.31789e-01  0.00000e+00 0.00000e+00 1.53833e+01 150.233 1.33979e+01 330.233 0.5896 
1 1 1 2  33 6  o 8  2.57982e+01 1.26908e+01 3.58356e+01 347.289 1.72592e+00  -3.89301e-01 0.00000e+00 0.00000e+00 5.57309e+00 347.289 3.02625e+01 167.289 0.6560 
1 1 1 2  33 7  o 14 3.48518e+01 1.74902e+01 8.01579e+00 231.492 -2.55030e-01 -3.20524e-01 0.00000e+00 0.00000e+00 9.14848e+00 231.492 1.13268e+00 231.492 0.2006 
1 1 1 2  33 8  o 7  4.68704e+01 1.87779e+01 2.79154e+01 224.332 -1.28146e+00 -1.25193e+00 0.00000e+00 0.00000e+00 4.83550e+01 224.332 2.04395e+01 224.332 0.6604 
1 1 1 2  33 9  o 11 5.29374e+01 2.60667e+01 1.49156e+01 40.989  5.32747e-01  4.62935e-01  0.00000e+00 0.00000e+00 2.86561e+01 40.989  1.37406e+01 40.989  0.3326 
1 1 1 2  33 11 o 15 6.95813e+01 3.30564e+01 1.82463e+01 330.276 7.07447e-01  -4.03918e-01 0.00000e+00 0.00000e+00 4.73081e+01 330.276 2.90618e+01 330.276 0.3769 
1 1 1 2  33 12 o 2  5.16810e+01 2.59225e+01 2.02352e+01 41.062  7.52856e-01  6.55889e-01  0.00000e+00 0.00000e+00 3.77004e+01 41.062  1.74653e+01 41.062  0.4459 
1 1 1 2  33 13 o 6  4.72415e+01 2.40125e+01 5.11749e+00 52.115  1.58533e-01  2.03755e-01  0.00000e+00 0.00000e+00 1.01848e+01 52.115  5.06730e+00 52.115  0.1280 
1 1 1 2  33 14 o 6  4.78918e+01 2.43814e+01 3.66983e+01 56.684  1.06593e+00  1.62176e+00  0.00000e+00 0.00000e+00 4.72157e+01 56.684  1.05174e+01 56.684  0.6878 
1 1 1 2  33 15 o 3  4.87752e+01 2.48778e+01 2.20706e+01 256.648 -2.61760e-01 -1.10287e+00 0.00000e+00 0.00000e+00 3.94741e+01 256.648 1.74035e+01 256.648 0.4917 
1 1 1 2  33 16 o 6  5.12936e+01 2.60920e+01 1.12167e+01 203.130 -5.29357e-01 -2.26113e-01 0.00000e+00 0.00000e+00 2.54667e+01 203.130 1.42500e+01 203.130 0.2765 
1 1 1 2  33 17 o 1  5.19729e+01 2.64341e+01 1.62185e+01 140.721 -6.37844e-01 5.21671e-01  0.00000e+00 0.00000e+00 3.53664e+01 140.721 1.91479e+01 140.721 0.3806 
1 1 1 2  33 18 o 9  5.47386e+01 2.78483e+01 1.86294e+01 247.641 -3.50216e-01 -8.51417e-01 0.00000e+00 0.00000e+00 4.15085e+01 247.641 2.28791e+01 247.641 0.4176 
1 1 1 2  34 0  o 12 5.35029e+01 3.35430e+01 3.10121e+01 0.000   8.30156e-01  0.00000e+00  0.00000e+00 0.00000e+00 6.04852e+01 0.000   2.94731e+01 0.000   0.6806 
1 1 1 2  34 1  o 15 5.21439e+01 2.32096e+01 9.08686e+00 287.742 1.51952e-01  -4.74923e-01 0.00000e+00 0.00000e+00 2.26143e+01 287.742 1.35274e+01 287.742 0.2419 
1 1 1 2  34 2  o 18 5.63020e+01 2.40267e+01 5.67892e+01 158.755 -2.98130e+00 1.15904e+00  0.00000e+00 0.00000e+00 5.98586e+01 158.755 3.06939e+00 158.755 0.8237 
1 1 1 2  34 3  o 13 5.26379e+01 2.32821e+01 1.66109e+01 61.094  4.41810e-01  8.00135e-01  0.00000e+00 0.00000e+00 3.84182e+01 61.094  2.18073e+01 61.094  0.4151 
1 1 1 2  34 4  o 17 3.12939e+01 1.54622e+01 7.88716e+00 327.075 3.59492e-01  -2.32789e-01 0.00000e+00 0.00000e+00 8.64408e+00 327.075 7.56921e-01 327.075 0.2094 
1 1 1 2  34 5  o 1  4.68403e+01 2.08418e+01 8.38592e+00 295.855 2.19536e-01  -4.53027e-01 0.00000e+00 0.00000e+00 2.05219e+01 295.855 1.21360e+01 295.855 0.2441 
1 1 1 2  34 6  o 15 5.17662e+01 2.07685e+01 2.15192e+01 74.622  3.79308e-01  1.37917e+00  0.00000e+00 0.00000e+00 5.44110e+01 74.622  3.28917e+01 74.622  0.5784 
1 1 1 2  34 7  o 6  5.77922e+01 2.62388e+01 4.19948e+00 152.352 -2.01734e-01 1.05678e-01  0.00000e+00 0.00000e+00 1.24348e+01 152.352 8.23535e+00 152.352 0.1131 
1 1 1 2  34 8  o 18 5.88226e+01 2.04379e+01 2.58148e+01 261.523 -3.05601e-01 -2.05044e+00 0.00000e+00 0.00000e+00 8.07517e+01 261.523 5.49369e+01 261.523 0.7094 
1 1 1 2  34 9  o 4  6.82443e+01 3.22101e+01 1.53317e+01 136.521 -4.95133e-01 4.69514e-01  0.00000e+00 0.00000e+00 4.11570e+01 136.521 2.58254e+01 136.521 0.3227 
1 1 1 2  34 11 o 2  5.49763e+01 2.74515e+01 6.99791e+00 201.797 -3.18290e-01 -1.27287e-01 0.00000e+00 0.00000e+00 1.70622e+01 201.797 1.00643e+01 201.797 0.1689 
1 1 1 2  34 12 o 19 5.36320e+01 2.69413e+01 4.09590e+00 44.332  1.43031e-01  1.39734e-01  0.00000e+00 0.00000e+00 9.80707e+00 44.332  5.71117e+00 44.332  0.0995 
1 1 1 2  34 13 o 5  5.53198e+01 2.78122e+01 2.49117e+01 320.623 9.43682e-01  -7.74509e-01 0.00000e+00 0.00000e+00 5.04022e+01 320.623 2.54905e+01 320.623 0.5192 
1 1 1 2  34 14 f 0  5.30970e+01 2.68676e+01 2.66238e+01 230.253 -8.50747e-01 -1.02303e+00 0.00000e+00 0.00000e+00 5.06694e+01 230.253 2.40456e+01 230.253 0.5514 
1 1 1 2  34 15 f 0  5.78784e+01 2.90497e+01 3.44720e+00 333.991 1.46602e-01  -7.15322e-02 0.00000e+00 0.00000e+00 9.06593e+00 333.991 5.61873e+00 333.991 0.0813 
1 1 1 2  34 16 o 9  4.68792e+01 2.40270e+01 1.89621e+01 122.890 -5.61754e-01 8.68682e-01  0.00000e+00 0.00000e+00 3.86483e+01 122.890 1.96862e+01 122.890 0.4585 
1 1 1 2  35 0  o 7  4.76109e+01 3.13610e+01 2.25811e+01 0.000   6.39568e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.74986e+01 0.000   2.49176e+01 0.000   0.5646 
1 1 1 2  35 1  o 10 3.96096e+01 1.92213e+01 3.62084e+01 355.289 2.09810e+00  -1.72916e-01 0.00000e+00 0.00000e+00 3.75723e+01 355.289 1.36391e+00 355.289 0.7143 
1 1 1 2  35 2  o 19 5.04255e+01 2.46315e+01 2.41839e+01 231.764 -7.61301e-01 -9.66193e-01 0.00000e+00 0.00000e+00 4.45074e+01 231.764 2.03235e+01 231.764 0.5220 
1 1 1 2  35 3  o 7  5.71249e+01 2.43936e+01 3.93209e+01 111.219 -8.31725e-01 2.14219e+00  0.00000e+00 0.00000e+00 7.13005e+01 111.219 3.19796e+01 111.219 0.7411 
1 1 1 2  35 4  o 10 3.65443e+01 1.76182e+01 1.67428e+01 44.140  7.23684e-01  7.02290e-01  0.00000e+00 0.00000e+00 2.62421e+01 44.140  9.49934e+00 44.140  0.4494 
1 1 1 2  35 5  o 11 5.78392e+01 2.31838e+01 3.08767e+01 319.660 1.54437e+00  -1.31159e+00 0.00000e+00 0.00000e+00 7.56489e+01 319.660 4.47722e+01 319.660 0.7020 
1 1 1 2  35 6  o 4  4.21077e+01 1.88138e+01 2.77829e+01 208.355 -1.60224e+00 -8.64696e-01 0.00000e+00 0.00000e+00 4.59954e+01 208.355 1.82125e+01 208.355 0.6660 
1 1 1 2  35 7  o 14 3.59536e+01 1.80354e+01 1.66529e+01 179.607 -1.04434e+00 7.15765e-03  0.00000e+00 0.00000e+00 2.71786e+01 179.607 1.05257e+01 179.607 0.4619 
1 1 1 2  35 8  o 11 4.34597e+01 1.79927e+01 2.16614e+01 351.101 1.60576e+00  -2.51430e-01 0.00000e+00 0.00000e+00 5.03745e+01 351.101 2.87131e+01 351.101 0.6256 
1 1 1 2  35 10 o 2  4.67500e+01 2.37377e+01 3.19742e+01 119.062 -8.36016e-01 1.50437e+00  0.00000e+00 0.00000e+00 4.87971e+01 119.062 1.68229e+01 119.062 0.6462 
1 1 1 2  35 11 o 3  4.98761e+01 2.52665e+01 7.60388e+00 210.397 -3.38716e-01 -1.98696e-01 0.00000e+00 0.00000e+00 1.82229e+01 210.397 1.06190e+01 210.397 0.1927 
1 1 1 2  35 12 o 2  3.88320e+01 2.00277e+01 2.57589e+01 339.906 1.46455e+00  -5.35782e-01 0.00000e+00 0.00000e+00 3.83301e+01 339.906 1.25712e+01 339.906 0.6105 
1 1 1 2  35 13 o 16 4.96763e+01 2.53017e+01 2.05671e+01 58.800  5.53960e-01  9.14701e-01  0.00000e+00 0.00000e+00 4.30091e+01 58.800  2.24420e+01 58.800  0.4704 
1 1 1 2  36 0  f 0  4.81341e+01 3.19564e+01 2.18368e+01 180.000 -6.55421e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.31413e+01 180.000 3.13045e+01 180.000 0.5753 
1 1 1 2  36 1  o 17 3.86668e+01 1.88459e+01 3.82400e+01 192.220 -2.44285e+00 -5.29074e-01 0.00000e+00 0.00000e+00 4.18645e+01 192.220 3.62448e+00 192.220 0.7649 
1 1 1 2  36 2  o 3  6.24216e+01 2.96923e+01 1.47821e+01 352.234 7.00332e-01  -9.55124e-02 0.00000e+00 0.00000e+00 4.15605e+01 352.234 2.67784e+01 352.234 0.3330 
1 1 1 2  36 3  o 13 4.07857e+01 1.94829e+01 1.48726e+01 297.610 4.49135e-01  -8.58769e-01 0.00000e+00 0.00000e+00 3.33118e+01 297.610 1.84391e+01 297.610 0.4353 
1 1 1 2  36 4  o 4  5.10613e+01 2.23807e+01 2.24633e+01 88.198  4.54319e-02  1.44370e+00  0.00000e+00 0.00000e+00 5.83373e+01 88.198  3.58740e+01 88.198  0.5821 
1 1 1 2  36 5  o 17 4.07478e+01 1.90184e+01 2.82024e+01 90.502  -1.66180e-02 1.89539e+00  0.00000e+00 0.00000e+00 4.72769e+01 90.502  1.90744e+01 90.502  0.6798 
1 1 1 2  36 6  o 18 4.15296e+01 1.88221e+01 3.46530e+01 253.447 -6.95072e-01 -2.33855e+00 0.00000e+00 0.00000e+00 5.13879e+01 253.447 1.67349e+01 253.447 0.7583 
1 1 1 2  36 7  o 3  3.87880e+01 1.92689e+01 2.57939e+01 225.508 -1.13978e+00 -1.16017e+00 0.00000e+00 0.00000e+00 4.07517e+01 225.508 1.49578e+01 225.508 0.6259 
1 1 1 2  36 8  o 15 4.18313e+01 1.78413e+01 2.01606e+01 79.517  2.86513e-01  1.54852e+00  0.00000e+00 0.00000e+00 5.05234e+01 79.517  3.03628e+01 79.517  0.6141 
1 1 1 2  36 10 o 13 4.20081e+01 2.15070e+01 2.49938e+01 207.911 -1.27969e+00 -6.77874e-01 0.00000e+00 0.00000e+00 4.30158e+01 207.911 1.80220e+01 207.911 0.5830 
1 1 1 2  37 0  o 13 4.48928e+01 3.05051e+01 1.25704e+01 180.000 -3.83088e-01 -0.00000e+00 0.00000e+00 0.00000e+00 3.36052e+01 180.000 2.10347e+01 180.000 0.3654 
1 1 1 2  37 1  o 18 4.31554e+01 2.06481e+01 1.59827e+01 183.980 -1.00905e+00 -7.02037e-02 0.00000e+00 0.00000e+00 3.87528e+01 183.980 2.27701e+01 183.980 0.4504 
1 1 1 2  37 2  o 13 4.49049e+01 2.22420e+01 2.60895e+01 83.506  1.70149e-01  1.49475e+00  0.00000e+00 0.00000e+00 4.94807e+01 83.506  2.33912e+01 83.506  0.5972 
1 1 1 2  37 3  o 1  4.98282e+01 2.27303e+01 3.37768e+01 30.752  1.78539e+00  1.06229e+00  0.00000e+00 0.00000e+00 6.60543e+01 30.752  3.22775e+01 30.752  0.7101 
1 1 1 2  37 4  o 4  3.71689e+01 1.79636e+01 2.31140e+01 225.119 -1.12805e+00 -1.13273e+00 0.00000e+00 0.00000e+00 4.19761e+01 225.119 1.88621e+01 225.119 0.6196 
1 1 1 2  37 5  f 0  4.69377e+01 2.09799e+01 2.60431e+01 213.576 -1.44461e+00 -9.58910e-01 0.00000e+00 0.00000e+00 6.02346e+01 213.576 3.41915e+01 213.576 0.6489 
1 1 1 3  0  7  o 10 7.80988e+02 2.52259e+01 7.64905e+01 270.000 -3.81192e-17 -6.22533e-01 0.00000e+00 0.00000e+00 5.08854e+02 270.000 4.32364e+02 270.000 0.5529 
1 1 1 3  0  8  o 19 1.27408e+03 3.80063e+01 1.11441e+03 0.000   1.25631e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.19262e+02 0.000   4.95151e+02 180.000 1.0000 
1 1 1 3  0  9  o 7  6.26426e+02 3.08680e+01 3.78601e+02 90.000  1.44755e-16  2.36403e+00  0.00000e+00 0.00000e+00 4.62449e+02 90.000  8.38481e+01 90.000  0.9825 
1 1 1 3  0  10 o 1  8.63615e+02 2.74135e+01 6.41212e+02 180.000 -7.63380e+00 -0.00000e+00 0.00000e+00 0.00000e+00 5.44650e+02 180.000 9.65622e+01 0.000   1.0000 
1 1 1 3  0  11 o 14 8.67947e+01 2.11351e+01 1.08927e+02 270.000 9.89005e-09  -1.13129e-01 0.00000e+00 0.00000e+00 9.54305e+01 90.000  2.04358e+02 90.000  0.1126 
1 1 1 3  0  12 o 13 3.15954e+01 1.99181e+01 2.69953e+01 0.000   1.82471e-02  0.00000e+00  0.00000e+00 0.00000e+00 2.61949e+01 180.000 5.31902e+01 180.000 0.0182 
1 1 1 3  0  13 o 12 4.14605e+01 2.28579e+01 1.34976e+02 270.000 1.31217e-08  -1.50095e-01 0.00000e+00 0.00000e+00 1.26346e+02 90.000  2.61322e+02 90.000  0.1490 
1 1 1 3  0  14 o 13 2.54967e+02 1.60340e+01 3.76878e+02 0.000   2.76870e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.10070e+01 180.000 3.97884e+02 180.000 0.9922 
1 1 1 3  0  15 o 15 3.12628e+02 1.67487e+01 2.57188e+02 90.000  1.82873e-16  2.98655e+00  0.00000e+00 0.00000e+00 1.83590e+02 90.000  7.35983e+01 270.000 0.9949 
1 1 1 3  0  16 o 9  2.89714e+02 1.68502e+01 2.19685e+02 180.000 -2.96390e+00 -0.00000e+00 0.00000e+00 0.00000e+00 1.91896e+02 180.000 2.77892e+01 0.000   0.9947 
1 1 1 3  0  17 o 7  5.66889e+01 2.87570e+01 8.10397e+01 90.000  1.30716e-17  2.13475e-01  0.00000e+00 0.00000e+00 6.38712e+01 270.000 1.44911e+02 270.000 0.2103 
1 1 1 3  0  18 o 8  3.09546e+02 1.80811e+01 1.88303e+02 180.000 -3.20419e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.59967e+02 180.000 7.16643e+01 180.000 0.9967 
1 1 1 3  0  19 o 2  3.63859e+02 1.91439e+01 1.39345e+02 270.000 3.49300e-07  -3.99553e+00 0.00000e+00 0.00000e+00 3.93914e+02 270.000 2.54569e+02 270.000 0.9993 
1 1 1 3  0  20 o 11 8.59633e+01 3.73396e+01 1.15888e+02 0.000   6.52203e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.29164e+01 180.000 1.58804e+02 180.000 0.5732 
1 1 1 3  0  21 o 5  2.26925e+02 2.29970e+01 1.88850e+02 270.000 -2.70499e-16 -4.41759e+00 0.00000e+00 0.00000e+00 1.50632e+02 270.000 3.82186e+01 90.000  0.9997 
1 1 1 3  0  22 o 17 2.40670e+02 4.25807e+01 6.75806e+01 0.000   1.54479e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.64792e+02 0.000   1.97211e+02 0.000   0.9129 
1 1 1 3  0  23 o 5  2.04600e+02 3.73551e+01 8.21694e+01 270.000 -1.03566e-16 -1.69136e+00 0.00000e+00 0.00000e+00 2.10312e+02 270.000 1.28143e+02 270.000 0.9343 
1 1 1 3  0  24 o 10 2.57137e+02 3.86673e+01 1.85541e+02 180.000 -5.00146e+00 -0.00000e+00 0.00000e+00 0.00000e+00 2.12538e+02 180.000 2.69969e+01 180.000 0.9999 
1 1 1 3  0  25 o 2  2.60631e+02 4.15151e+01 1.39665e+02 90.000  1.81972e-16  2.97182e+00  0.00000e+00 0.00000e+00 2.66741e+02 90.000  1.27076e+02 90.000  0.9948 
1 1 1 3  0  26 o 1  8.90897e+01 5.11808e+01 9.93324e+01 0.000   7.96802e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.65313e+00 180.000 1.04986e+02 180.000 0.6622 
1 1 1 3  0  27 o 3  8.05090e+01 4.90322e+01 5.69288e+01 270.000 4.37717e-08  -5.00690e-01 0.00000e+00 0.00000e+00 3.00998e+00 270.000 5.39188e+01 90.000  0.4627 
1 1 1 3  0  28 o 19 2.50022e+02 4.53854e+01 1.83835e+02 180.000 -6.19648e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.24108e+02 180.000 4.02726e+01 180.000 1.0000 
1 1 1 3  0  29 o 9  8.92782e+01 5.05783e+01 1.46898e+01 90.000  1.16442e-17  1.90164e-01  0.00000e+00 0.00000e+00 1.30785e+01 90.000  1.61130e+00 270.000 0.1879 
1 1 1 3  0  30 f 0  6.83359e+01 4.16856e+01 5.53690e+01 0.000   7.83668e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.98091e+01 0.000   3.55598e+01 180.000 0.6548 
1 1 1 3  0  31 o 6  1.18962e+02 5.01060e+01 6.29089e+01 90.000  9.16643e-17  1.49699e+00  0.00000e+00 0.00000e+00 1.20692e+02 90.000  5.77833e+01 90.000  0.9046 
1 1 1 3  0  32 o 17 5.29453e+01 3.49206e+01 2.71150e+01 180.000 -3.83544e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.45553e+00 180.000 2.06595e+01 0.000   0.3658 
1 1 1 3  0  33 o 16 5.77823e+01 3.77912e+01 1.50454e+01 90.000  -2.46887e-08 2.82406e-01  0.00000e+00 0.00000e+00 1.29677e+01 90.000  2.07770e+00 270.000 0.2751 
1 1 1 3  0  35 f 0  5.34764e+01 3.68994e+01 5.86159e-02 270.000 1.29591e-10  -1.48235e-03 0.00000e+00 0.00000e+00 8.59398e-02 270.000 2.73238e-02 270.000 0.0015 
1 1 1 3  0  36 o 8  6.80556e+01 4.47065e+01 2.34208e+01 180.000 -6.04029e-01 -0.00000e+00 0.00000e+00 0.00000e+00 4.47948e+01 180.000 2.13740e+01 180.000 0.5399 
1 1 1 3  0  37 o 2  7.02884e+01 4.63610e+01 5.64997e+00 270.000 1.36402e-08  -1.56026e-01 0.00000e+00 0.00000e+00 1.49217e+01 270.000 9.27178e+00 270.000 0.1548 
1 1 1 3  0  38 o 5  5.01395e+01 3.59515e+01 2.19644e+01 180.000 -6.71335e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.46437e+01 180.000 1.26793e+01 180.000 0.5859 
1 1 1 3  0  39 o 5  4.90583e+01 3.54407e+01 1.59835e+01 90.000  -4.48006e-08 5.12459e-01  0.00000e+00 0.00000e+00 2.95011e+01 90.000  1.35176e+01 90.000  0.4719 
1 1 1 3  1  7  o 13 1.17978e+03 2.49903e+01 6.32671e+02 175.909 -1.52518e+01 1.09085e+00  0.00000e+00 0.00000e+00 9.14236e+02 175.909 2.81564e+02 175.909 0.9667 
1 1 1 3  1  8  o 1  8.69182e+02 2.23602e+01 5.19397e+02 25.765  9.32276e+00  4.49972e+00  0.00000e+00 0.00000e+00 6.05260e+02 25.765  8.58630e+01 25.765  0.9504 
1 1 1 3  1  9  o 6  8.54825e+02 2.72144e+01 4.02378e+02 183.112 -6.76062e+00 -3.67539e-01 0.00000e+00 0.00000e+00 6.76286e+02 183.112 2.73907e+02 183.112 0.9229 
1 1 1 3  1  10 o 4  6.43505e+02 1.80211e+01 3.88029e+02 244.505 -2.94323e+00 -6.17192e+00 0.00000e+00 0.00000e+00 4.28585e+02 244.505 4.05569e+01 244.505 0.9237 
1 1 1 3  1  11 o 8  5.05556e+02 1.35235e+01 2.27454e+02 318.152 2.03776e+00  -1.82501e+00 0.00000e+00 0.00000e+00 3.23023e+02 318.152 9.55691e+01 318.152 0.7884 
1 1 1 3  1  12 o 12 7.89682e+02 2.56016e+01 5.12571e+02 22.185  1.57335e+01  6.41591e+00  0.00000e+00 0.00000e+00 5.51667e+02 22.185  3.90962e+01 22.185  0.9701 
1 1 1 3  1  13 o 18 3.86765e+02 1.21302e+01 1.90803e+02 350.782 3.90511e+00  -6.33776e-01 0.00000e+00 0.00000e+00 2.75175e+02 350.782 8.43718e+01 350.782 0.8618 
1 1 1 3  1  14 o 5  1.16417e+03 2.49749e+01 7.50335e+02 70.086  1.67389e+01  4.62046e+01  0.00000e+00 0.00000e+00 8.71517e+02 70.086  1.21182e+02 70.086  0.9898 
1 1 1 3  1  15 o 7  5.32991e+02 1.42441e+01 2.72037e+02 82.562  1.38477e+00  1.06068e+01  0.00000e+00 0.00000e+00 4.47433e+02 82.562  1.75395e+02 82.562  0.9520 
1 1 1 3  1  16 o 15 5.44811e+02 1.45259e+01 3.16581e+02 184.462 -1.58917e+01 -1.24015e+00 0.00000e+00 0.00000e+00 4.37121e+02 184.462 1.20540e+02 184.462 0.9681 
1 1 1 3  1  17 o 7  6.81488e+02 1.67837e+01 3.94293e+02 204.767 -2.28139e+01 -1.05257e+01 0.00000e+00 0.00000e+00 5.67944e+02 204.767 1.73651e+02 204.767 0.9799 
1 1 1 3  1  18 o 10 3.14173e+02 1.25848e+01 2.87104e+02 279.595 1.64966e+00  -9.75827e+00 0.00000e+00 0.00000e+00 1.45884e+02 279.595 1.41220e+02 99.595  0.9480 
1 1 1 3  1  19 o 13 2.34786e+02 1.37006e+01 2.10558e+02 62.364  3.60464e+00  6.88444e+00  0.00000e+00 0.00000e+00 1.10955e+02 62.364  9.96032e+01 242.364 0.9332 
1 1 1 3  1  20 f 0  2.07433e+02 1.52846e+01 2.17209e+02 161.910 -5.86084e+00 1.91444e+00  0.00000e+00 0.00000e+00 6.40018e+01 161.910 1.53207e+02 341.910 0.9149 
1 1 1 3  1  21 o 16 2.08342e+02 1.62969e+01 2.29040e+02 301.800 5.17467e+00  -8.34600e+00 0.00000e+00 0.00000e+00 6.65613e+01 301.800 1.62479e+02 121.800 0.9476 
1 1 1 3  1  22 o 3  1.84455e+02 2.78532e+01 1.18805e+02 54.402  2.46613e+00  3.44486e+00  0.00000e+00 0.00000e+00 1.24655e+02 54.402  5.84993e+00 54.402  0.8720 
1 1 1 3  1  23 o 19 2.19471e+02 2.28082e+01 1.77360e+02 108.594 -2.56432e+00 7.62219e+00  0.00000e+00 0.00000e+00 1.36974e+02 108.594 4.03859e+01 288.594 0.9356 
1 1 1 3  1  24 o 3  1.36240e+02 3.48425e+01 1.64972e+02 340.518 4.12550e+00  -1.45944e+00 0.00000e+00 0.00000e+00 2.00260e+01 340.518 1.44946e+02 160.518 0.8766 
1 1 1 3  1  25 f 0  9.54672e+01 3.64494e+01 9.45919e+01 43.674  1.00539e+00  9.59905e-01  0.00000e+00 0.00000e+00 9.58440e+00 223.674 1.04176e+02 223.674 0.5678 
1 1 1 3  1  26 o 14 3.58920e+02 2.45682e+01 1.98784e+02 150.235 -1.23944e+01 7.08842e+00  0.00000e+00 0.00000e+00 3.51070e+02 150.235 1.52286e+02 150.235 0.9643 
1 1 1 3  1  28 f 0  1.44086e+02 3.93565e+01 4.50168e+01 353.634 1.55898e+00  -1.73930e-01 0.00000e+00 0.00000e+00 9.90920e+01 353.634 5.40752e+01 353.634 0.6127 
1 1 1 3  1  30 o 1  8.05446e+01 3.17001e+01 3.70601e+01 35.620  9.59189e-01  6.87209e-01  0.00000e+00 0.00000e+00 3.15207e+01 35.620  5.53947e+00 215.620 0.5065 
1 1 1 3  1  31 o 2  1.02064e+02 3.35269e+01 1.20136e+02 299.148 2.50004e+00  -4.48292e+00 0.00000e+00 0.00000e+00 3.60370e+01 299.148 8.40990e+01 119.148 0.8964 
1 1 1 3  1  32 o 19 5.89275e+01 2.67326e+01 4.25756e+01 151.333 -1.12124e+00 6.13020e-01  0.00000e+00 0.00000e+00 1.22294e+01 151.333 3.03462e+01 331.333 0.5362 
1 1 1 3  1  33 o 8  1.01607e+02 3.96850e+01 6.97983e+01 201.545 -2.86969e+00 -1.13303e+00 0.00000e+00 0.00000e+00 7.63944e+01 201.545 6.59613e+00 201.545 0.8161 
1 1 1 3  1  34 o 15 6.11644e+01 2.98618e+01 5.97174e+00 92.547  -1.09553e-02 2.46312e-01  0.00000e+00 0.00000e+00 7.44668e+00 92.547  1.47494e+00 92.547  0.1224 
1 1 1 3  1  35 o 15 6.56447e+01 3.02926e+01 2.80377e+01 79.249  2.69532e-01  1.41954e+00  0.00000e+00 0.00000e+00 4.16952e+01 79.249  1.36575e+01 79.249  0.5822 
1 1 1 3  1  36 o 18 6.82397e+01 3.19472e+01 4.56961e+01 23.214  2.13909e+00  9.17418e-01  0.00000e+00 0.00000e+00 4.87191e+01 23.214  3.02304e+00 23.214  0.7449 
1 1 1 3  1  37 o 9  9.34022e+01 3.90456e+01 1.37690e+01 341.305 7.17095e-01  -2.42649e-01 0.00000e+00 0.00000e+00 4.87468e+01 341.305 3.49778e+01 341.305 0.3538 
1 1 1 3  1  38 o 10 6.13625e+01 2.99519e+01 2.00505e+01 177.767 -1.15719e+00 4.51261e-02  0.00000e+00 0.00000e+00 3.90601e+01 177.767 1.90096e+01 177.767 0.4996 
1 1 1 3  1  39 o 5  5.06385e+01 2.55927e+01 1.21168e+01 244.571 -3.32702e-01 -6.99746e-01 0.00000e+00 0.00000e+00 2.38189e+01 244.571 1.17021e+01 244.571 0.3610 
1 1 1 3  2  6  o 9  1.86672e+03 3.81865e+01 1.24081e+03 49.922  2.59513e+01  3.08422e+01  0.00000e+00 0.00000e+00 1.25525e+03 49.922  1.44412e+01 49.922  0.9875 
1 1 1 3  2  7  o 11 1.35363e+03 2.82317e+01 4.25693e+02 68.325  4.18904e+00  1.05399e+01  0.00000e+00 0.00000e+00 1.33015e+03 68.325  9.04462e+02 68.325  0.9548 
1 1 1 3  2  8  o 2  8.79349e+02 2.25636e+01 5.20965e+02 116.460 -4.53369e+00 9.10923e+00  0.00000e+00 0.00000e+00 6.17604e+02 116.460 9.66385e+01 116.460 0.9495 
1 1 1 3  2  9  o 10 9.49193e+02 2.40510e+01 6.38877e+02 186.082 -1.84311e+01 -1.96395e+00 0.00000e+00 0.00000e+00 6.25469e+02 186.082 1.34080e+01 6.082   0.9726 
1 1 1 3  2  10 f 0  4.11374e+02 1.40904e+01 3.67226e+02 231.380 -2.50804e+00 -3.13956e+00 0.00000e+00 0.00000e+00 1.21994e+02 231.380 2.45232e+02 51.380  0.8642 
1 1 1 3  2  11 o 17 3.14970e+02 1.28586e+01 1.58327e+01 113.156 -5.02205e-02 1.17420e-01  0.00000e+00 0.00000e+00 1.19337e+01 113.156 3.89900e+00 293.156 0.0637 
1 1 1 3  2  12 o 13 6.42238e+02 1.56425e+01 3.10193e+02 351.341 8.22875e+00  -1.25315e+00 0.00000e+00 0.00000e+00 5.27895e+02 351.341 2.17702e+02 351.341 0.9379 
1 1 1 3  2  13 o 9  6.50290e+02 1.83208e+01 7.31986e+02 309.610 1.59251e+01  -1.92430e+01 0.00000e+00 0.00000e+00 1.60148e+02 309.610 5.71838e+02 129.610 0.9798 
1 1 1 3  2  14 o 11 9.08039e+01 1.48593e+01 4.49699e+01 212.727 -1.93963e-01 -1.24653e-01 0.00000e+00 0.00000e+00 3.03093e+01 32.727  7.52793e+01 32.727  0.1145 
1 1 1 3  2  15 o 11 2.45485e+02 1.14096e+01 1.16489e+02 88.501  5.47878e-02  2.09411e+00  0.00000e+00 0.00000e+00 1.31991e+02 88.501  1.55019e+01 88.501  0.7127 
1 1 1 3  2  16 o 17 1.97758e+02 1.21059e+01 1.53524e+02 183.414 -2.99776e+00 -1.78849e-01 0.00000e+00 0.00000e+00 7.58050e+01 183.414 7.77192e+01 3.414   0.8102 
1 1 1 3  2  17 o 16 2.04591e+02 1.26060e+01 1.35183e+02 347.585 2.52567e+00  -5.56020e-01 0.00000e+00 0.00000e+00 9.33758e+01 347.585 4.18067e+01 167.585 0.7741 
1 1 1 3  2  18 o 12 5.09378e+02 1.44472e+01 3.34563e+02 32.357  1.56184e+01  9.89533e+00  0.00000e+00 0.00000e+00 3.86767e+02 32.357  5.22044e+01 32.357  0.9726 
1 1 1 3  2  19 o 11 4.46975e+02 1.41721e+01 3.78849e+02 125.728 -1.54222e+01 2.14403e+01  0.00000e+00 0.00000e+00 2.65506e+02 125.728 1.13343e+02 305.728 0.9809 
1 1 1 3  2  20 o 11 1.86923e+02 1.63522e+01 9.83653e+01 255.246 -6.35033e-01 -2.41134e+00 0.00000e+00 0.00000e+00 1.13676e+02 255.246 1.53103e+01 255.246 0.7643 
1 1 1 3  2  21 o 14 2.77623e+02 1.80705e+01 1.79541e+02 308.793 6.33573e+00  -7.88215e+00 0.00000e+00 0.00000e+00 2.15639e+02 308.793 3.60972e+01 308.793 0.9492 
1 1 1 3  2  22 o 10 2.99331e+02 1.76634e+01 2.31620e+02 192.405 -1.39831e+01 -3.07560e+00 0.00000e+00 0.00000e+00 2.06016e+02 192.405 2.56040e+01 12.405  0.9644 
1 1 1 3  2  23 o 12 7.47834e+01 3.28168e+01 2.53032e+01 342.603 3.96879e-01  -1.24350e-01 0.00000e+00 0.00000e+00 1.95969e+00 162.603 2.72629e+01 162.603 0.2036 
1 1 1 3  2  24 o 13 1.74288e+02 3.12424e+01 2.29469e+02 351.912 7.97047e+00  -1.13268e+00 0.00000e+00 0.00000e+00 2.35530e+01 351.912 2.05916e+02 171.912 0.9357 
1 1 1 3  2  25 o 10 2.74953e+02 2.61526e+01 1.78668e+02 314.211 5.70067e+00  -5.85996e+00 0.00000e+00 0.00000e+00 2.25896e+02 314.211 4.72276e+01 314.211 0.9367 
1 1 1 3  2  26 o 7  2.84646e+02 2.65688e+01 1.89778e+02 132.763 -7.20345e+00 7.78919e+00  0.00000e+00 0.00000e+00 2.41244e+02 132.763 5.14659e+01 132.763 0.9516 
1 1 1 3  2  27 o 8  2.35976e+02 2.86725e+01 1.38490e+02 134.279 -5.32536e+00 5.46103e+00  0.00000e+00 0.00000e+00 2.16144e+02 134.279 7.76542e+01 134.279 0.9319 
1 1 1 3  2  28 o 8  1.51229e+02 3.82954e+01 1.36264e+02 72.307  1.71521e+00  5.37662e+00  0.00000e+00 0.00000e+00 8.78787e+01 72.307  4.83852e+01 252.307 0.9064 
1 1 1 3  2  29 o 16 1.94784e+02 2.94175e+01 3.23547e+01 103.154 -4.76884e-01 2.04050e+00  0.00000e+00 0.00000e+00 1.97971e+02 103.154 1.65617e+02 103.154 0.7128 
1 1 1 3  2  30 o 5  1.86622e+02 2.82537e+01 1.63331e+02 202.087 -1.18267e+01 -4.79931e+00 0.00000e+00 0.00000e+00 1.38305e+02 202.087 2.50258e+01 22.087  0.9600 
1 1 1 3  2  31 o 4  1.08969e+02 3.38114e+01 5.63942e+01 65.559  1.07160e+00  2.35789e+00  0.00000e+00 0.00000e+00 8.78922e+01 65.559  3.14981e+01 65.559  0.7744 
1 1 1 3  2  32 o 12 8.36422e+01 3.15152e+01 6.99828e+01 320.454 2.04438e+00  -1.68800e+00 0.00000e+00 0.00000e+00 4.34211e+01 320.454 2.65617e+01 140.454 0.7805 
1 1 1 3  2  33 o 11 9.07160e+01 3.85223e+01 5.83118e+01 321.859 1.87276e+00  -1.47062e+00 0.00000e+00 0.00000e+00 6.20604e+01 321.859 3.74855e+00 321.859 0.7514 
1 1 1 3  2  34 o 3  6.98465e+01 3.15105e+01 4.04938e+01 56.408  1.03895e+00  1.56421e+00  0.00000e+00 0.00000e+00 4.43855e+01 56.408  3.89164e+00 56.408  0.6767 
1 1 1 3  2  35 o 16 6.19616e+01 2.91697e+01 5.35389e+01 142.740 -2.17407e+00 1.65380e+00  0.00000e+00 0.00000e+00 3.56890e+01 142.740 1.78499e+01 322.740 0.7880 
1 1 1 3  2  36 o 5  7.93461e+01 3.49865e+01 2.51850e+01 184.544 -1.30139e+00 -1.03418e-01 0.00000e+00 0.00000e+00 5.51578e+01 184.544 2.99728e+01 184.544 0.5442 
1 1 1 3  2  37 o 16 6.33887e+01 3.06273e+01 1.52584e+01 307.307 5.06855e-01  -6.65164e-01 0.00000e+00 0.00000e+00 3.10358e+01 307.307 1.57774e+01 307.307 0.3854 
1 1 1 3  2  38 o 19 5.59333e+01 2.78503e+01 6.28546e+00 147.897 -3.14624e-01 1.97387e-01  0.00000e+00 0.00000e+00 1.34366e+01 147.897 7.15112e+00 147.897 0.1826 
1 1 1 3  2  39 o 6  5.31262e+01 2.68064e+01 1.23113e+01 317.979 5.67913e-01  -5.11734e-01 0.00000e+00 0.00000e+00 2.50116e+01 317.979 1.27003e+01 317.979 0.3568 
1 1 1 3  3  6  f 0  3.34926e+02 1.26029e+01 6.12138e+02 2.390   4.42331e+00  1.84645e-01  0.00000e+00 0.00000e+00 2.12831e+02 182.390 8.24968e+02 182.390 0.8782 
1 1 1 3  3  7  o 13 3.02938e+02 1.06697e+01 5.44391e+01 334.928 2.79509e-01  -1.30762e-01 0.00000e+00 0.00000e+00 8.48129e+00 334.928 4.59578e+01 154.928 0.1525 
1 1 1 3  3  8  o 5  1.48967e+03 3.57612e+01 1.30438e+03 172.278 -4.02175e+01 5.45316e+00  0.00000e+00 0.00000e+00 7.07151e+02 172.278 5.97232e+02 352.278 0.9876 
1 1 1 3  3  9  o 9  6.82528e+02 1.61688e+01 4.96435e+02 184.118 -9.96081e+00 -7.17172e-01 0.00000e+00 0.00000e+00 3.92537e+02 184.118 1.03898e+02 4.118   0.9485 
1 1 1 3  3  10 o 2  1.89085e+03 4.48932e+01 1.32952e+03 340.881 5.89974e+01  -2.04520e+01 0.00000e+00 0.00000e+00 1.25840e+03 340.881 7.11232e+01 160.881 0.9920 
1 1 1 3  3  11 o 9  6.96886e+02 1.90241e+01 6.44212e+02 335.233 1.00803e+01  -4.65065e+00 0.00000e+00 0.00000e+00 2.77796e+02 335.233 3.66415e+02 155.233 0.9538 
1 1 1 3  3  12 o 11 7.75453e+02 2.06751e+01 6.02025e+02 124.220 -1.06206e+01 1.56161e+01  0.00000e+00 0.00000e+00 4.50795e+02 124.220 1.51230e+02 304.220 0.9732 
1 1 1 3  3  13 o 12 4.09893e+02 1.43837e+01 2.42534e+02 169.651 -5.03663e+00 9.19771e-01  0.00000e+00 0.00000e+00 2.73143e+02 169.651 3.06095e+01 169.651 0.8961 
1 1 1 3  3  14 o 14 7.29063e+02 1.72216e+01 3.74598e+02 187.396 -1.81746e+01 -2.35905e+00 0.00000e+00 0.00000e+00 6.27449e+02 187.396 2.52851e+02 187.396 0.9723 
1 1 1 3  3  15 o 14 5.79816e+02 1.49388e+01 5.61396e+02 176.924 -2.32807e+01 1.25087e+00  0.00000e+00 0.00000e+00 2.46316e+02 176.924 3.15079e+02 356.924 0.9783 
1 1 1 3  3  16 o 6  2.35439e+02 1.19957e+01 3.92367e+02 344.042 8.65257e+00  -2.47427e+00 0.00000e+00 0.00000e+00 7.38526e+01 164.042 4.66220e+02 164.042 0.9427 
1 1 1 3  3  17 o 11 5.22701e+02 1.45078e+01 4.25485e+02 9.041   2.71455e+01  4.31931e+00  0.00000e+00 0.00000e+00 3.17024e+02 9.041   1.08461e+02 189.041 0.9816 
1 1 1 3  3  18 o 6  6.71786e+02 1.68968e+01 3.79453e+02 106.291 -7.62055e+00 2.60758e+01  0.00000e+00 0.00000e+00 5.83081e+02 106.291 2.03629e+02 106.291 0.9814 
1 1 1 3  3  19 o 9  9.52880e+01 2.24553e+01 7.52805e+00 3.408   1.06843e-01  6.36202e-03  0.00000e+00 0.00000e+00 2.42122e-02 183.408 7.55226e+00 183.408 0.0534 
1 1 1 3  3  20 o 18 4.49977e+02 1.48701e+01 3.34825e+02 255.779 -4.99671e+00 -1.97170e+01 0.00000e+00 0.00000e+00 3.18145e+02 255.779 1.66805e+01 75.779  0.9751 
1 1 1 3  3  21 o 5  7.93870e+01 2.90872e+01 1.29521e+02 104.304 -4.74032e-01 1.85921e+00  0.00000e+00 0.00000e+00 4.78770e+01 284.304 1.77398e+02 284.304 0.6840 
1 1 1 3  3  22 o 2  2.12740e+02 1.97550e+01 1.83696e+02 118.952 -3.93753e+00 7.11759e+00  0.00000e+00 0.00000e+00 1.19093e+02 118.952 6.46027e+01 298.952 0.9363 
1 1 1 3  3  23 o 8  8.16819e+01 3.43333e+01 1.30759e+02 268.832 -4.67941e-02 -2.29418e+00 0.00000e+00 0.00000e+00 3.77460e+01 88.832  1.68505e+02 88.832  0.7407 
1 1 1 3  3  24 o 1  1.11509e+02 3.64206e+01 1.08839e+02 53.579  1.36810e+00  1.85421e+00  0.00000e+00 0.00000e+00 1.98674e+01 53.579  8.89714e+01 233.579 0.7419 
1 1 1 3  3  25 o 17 1.67706e+02 3.38268e+01 6.62990e+01 65.662  7.81932e-01  1.72875e+00  0.00000e+00 0.00000e+00 1.13367e+02 65.662  4.70681e+01 65.662  0.6802 
1 1 1 3  3  26 f 0  5.23923e+02 3.66849e+01 1.98232e+02 264.915 -1.63679e+00 -1.83934e+01 0.00000e+00 0.00000e+00 6.14699e+02 264.915 4.16467e+02 264.915 0.9725 
1 1 1 3  3  27 o 14 1.74922e+02 3.69971e+01 9.72231e+01 337.320 3.30855e+00  -1.38261e+00 0.00000e+00 0.00000e+00 1.41902e+02 337.320 4.46784e+01 337.320 0.8455 
1 1 1 3  3  29 o 11 6.27462e+01 2.88027e+01 5.12023e+00 4.931   1.07170e-01  9.24652e-03  0.00000e+00 0.00000e+00 4.84653e-01 4.931   4.63558e+00 184.931 0.0537 
1 1 1 3  3  30 o 19 1.05639e+02 3.47721e+01 2.11030e+01 214.636 -6.69103e-01 -4.62200e-01 0.00000e+00 0.00000e+00 4.60089e+01 214.636 2.49060e+01 214.636 0.3763 
1 1 1 3  3  31 o 7  7.08374e+01 2.97012e+01 4.75176e+01 157.472 -1.44294e+00 5.98499e-01  0.00000e+00 0.00000e+00 2.66963e+01 157.472 2.08213e+01 337.472 0.6111 
1 1 1 3  3  32 o 18 5.43061e+01 2.55983e+01 1.78936e+01 126.561 -3.01713e-01 4.06829e-01  0.00000e+00 0.00000e+00 5.32436e+00 126.561 1.25693e+01 306.561 0.2455 
1 1 1 3  3  33 o 10 5.89936e+01 2.86029e+01 1.33987e+00 321.671 3.93776e-02  -3.11307e-02 0.00000e+00 0.00000e+00 1.28088e+00 321.671 5.89877e-02 141.671 0.0251 
1 1 1 3  3  34 o 12 1.05735e+02 3.71348e+01 3.79946e+01 117.544 -1.00038e+00 1.91810e+00  0.00000e+00 0.00000e+00 9.96362e+01 117.544 6.16417e+01 117.544 0.7228 
1 1 1 3  3  35 o 3  7.03295e+01 3.40577e+01 3.19852e+01 334.324 1.35146e+00  -6.49717e-01 0.00000e+00 0.00000e+00 4.48219e+01 334.324 1.28367e+01 334.324 0.5960 
1 1 1 3  3  36 o 11 5.69090e+01 2.80208e+01 4.03535e+01 330.238 1.77247e+00  -1.01353e+00 0.00000e+00 0.00000e+00 3.44387e+01 330.238 5.91481e+00 150.238 0.7045 
1 1 1 3  3  37 o 8  6.42488e+01 3.10133e+01 3.22411e+01 183.170 -1.75021e+00 -9.69470e-02 0.00000e+00 0.00000e+00 4.74432e+01 183.170 1.52021e+01 183.170 0.6527 
1 1 1 3  3  38 o 12 5.76754e+01 2.86320e+01 6.81753e+00 168.433 -3.85543e-01 7.89064e-02  0.00000e+00 0.00000e+00 1.47431e+01 168.433 7.92557e+00 168.433 0.1931 
1 1 1 3  3  39 o 15 4.91328e+01 2.49267e+01 1.15318e+01 37.797  5.97847e-01  4.63680e-01  0.00000e+00 0.00000e+00 2.27669e+01 37.797  1.12351e+01 37.797  0.3536 
1 1 1 3  4  5  f 0  1.83794e+02 9.52236e+00 4.33138e+02 346.431 1.32425e+00  -3.19606e-01 0.00000e+00 0.00000e+00 2.93218e+02 166.431 7.26356e+02 166.431 0.5602 
1 1 1 3  4  6  o 11 2.04795e+03 4.18608e+01 1.01858e+03 67.221  1.56022e+01  3.71545e+01  0.00000e+00 0.00000e+00 1.73737e+03 67.221  7.18791e+02 67.221  0.9875 
1 1 1 3  4  7  o 3  6.12742e+02 1.72747e+01 6.88812e+02 336.109 8.71837e+00  -3.86186e+00 0.00000e+00 0.00000e+00 1.03706e+02 336.109 5.85106e+02 156.109 0.9460 
1 1 1 3  4  8  o 16 1.53453e+03 3.17345e+01 9.24401e+02 74.144  7.61146e+00  2.67984e+01  0.00000e+00 0.00000e+00 1.14341e+03 74.144  2.19012e+02 74.144  0.9819 
1 1 1 3  4  9  o 9  1.20041e+03 2.93469e+01 8.89175e+02 172.507 -2.91345e+01 3.83203e+00  0.00000e+00 0.00000e+00 7.36934e+02 172.507 1.52242e+02 352.507 0.9828 
1 1 1 3  4  10 o 8  1.31582e+03 3.92690e+01 9.90945e+02 183.194 -3.10739e+01 -1.73405e+00 0.00000e+00 0.00000e+00 8.01821e+02 183.194 1.89125e+02 3.194   0.9838 
1 1 1 3  4  11 o 9  1.14757e+02 1.28854e+01 2.32841e+02 277.369 8.15103e-02  -6.30249e-01 0.00000e+00 0.00000e+00 1.84475e+02 97.369  4.17316e+02 97.369  0.3027 
1 1 1 3  4  12 o 8  4.89127e+02 1.33844e+01 4.90667e+02 297.264 6.11797e+00  -1.18714e+01 0.00000e+00 0.00000e+00 1.68119e+02 297.264 3.22549e+02 117.264 0.9618 
1 1 1 3  4  13 o 19 9.35378e+01 1.64106e+01 2.22617e+02 70.639  4.10675e-01  1.16873e+00  0.00000e+00 0.00000e+00 1.53463e+02 250.639 3.76080e+02 250.639 0.5246 
1 1 1 3  4  14 o 18 3.46632e+02 1.36910e+01 4.08060e+02 167.219 -9.05315e+00 2.05372e+00  0.00000e+00 0.00000e+00 5.64578e+01 167.219 3.51603e+02 347.219 0.9445 
1 1 1 3  4  15 o 11 2.17126e+02 1.34089e+01 2.12296e+02 237.601 -2.39301e+00 -3.77087e+00 0.00000e+00 0.00000e+00 6.05835e+01 237.601 1.51713e+02 57.601  0.8793 
1 1 1 3  4  16 o 4  8.20996e+02 1.90920e+01 6.29838e+02 26.645  4.34308e+01  2.17908e+01  0.00000e+00 0.00000e+00 5.40548e+02 26.645  8.92896e+01 206.645 0.9897 
1 1 1 3  4  17 o 11 8.78944e+02 2.02333e+01 3.89938e+02 14.247  3.96153e+01  1.00588e+01  0.00000e+00 0.00000e+00 8.71019e+02 14.247  4.81081e+02 14.247  0.9877 
1 1 1 3  4  18 o 15 3.19224e+02 1.28932e+01 1.77572e+02 143.276 -6.19431e+00 4.62113e+00  0.00000e+00 0.00000e+00 2.58805e+02 143.276 8.12332e+01 143.276 0.9329 
1 1 1 3  4  19 o 18 5.21176e+01 2.19992e+01 7.34350e+01 86.477  3.91829e-02  6.36460e-01  0.00000e+00 0.00000e+00 5.00269e+01 266.477 1.23462e+02 266.477 0.3037 
1 1 1 3  4  20 o 2  6.89671e+02 2.10003e+01 4.46069e+02 242.547 -2.34887e+01 -4.52124e+01 0.00000e+00 0.00000e+00 5.73959e+02 242.547 1.27890e+02 242.547 0.9901 
1 1 1 3  4  21 o 3  1.39228e+02 2.40670e+01 7.97668e+01 184.575 -2.07051e+00 -1.65663e-01 0.00000e+00 0.00000e+00 6.94353e+01 184.575 1.03316e+01 4.575   0.7100 
1 1 1 3  4  22 o 15 4.65013e+02 1.81489e+01 3.30209e+02 2.241   3.19344e+01  1.24985e+00  0.00000e+00 0.00000e+00 3.68080e+02 2.241   3.78710e+01 2.241   0.9842 
1 1 1 3  4  23 o 18 2.33357e+02 3.45808e+01 1.81733e+02 4.395   8.98736e+00  6.90723e-01  0.00000e+00 0.00000e+00 1.57763e+02 4.395   2.39700e+01 184.395 0.9428 
1 1 1 3  4  24 o 4  2.59278e+02 2.56888e+01 2.14420e+02 73.293  3.58050e+00  1.19291e+01  0.00000e+00 0.00000e+00 1.73840e+02 73.293  4.05802e+01 253.293 0.9590 
1 1 1 3  4  25 o 1  3.88675e+02 2.42777e+01 2.66520e+02 172.595 -1.88138e+01 2.44504e+00  0.00000e+00 0.00000e+00 3.31533e+02 172.595 6.50128e+01 172.595 0.9733 
1 1 1 3  4  26 o 15 4.28179e+02 2.46719e+01 1.67600e+02 210.954 -1.27975e+01 -7.67566e+00 0.00000e+00 0.00000e+00 4.94701e+02 210.954 3.27101e+02 210.954 0.9659 
1 1 1 3  4  27 o 9  2.17020e+02 3.14979e+01 1.31243e+02 292.088 2.40068e+00  -5.91573e+00 0.00000e+00 0.00000e+00 1.92070e+02 292.088 6.08270e+01 292.088 0.9179 
1 1 1 3  4  28 o 15 2.19236e+02 3.22215e+01 1.18259e+02 177.959 -7.78709e+00 2.77537e-01  0.00000e+00 0.00000e+00 2.18505e+02 177.959 1.00246e+02 177.959 0.9334 
1 1 1 3  4  29 o 15 8.18628e+01 3.33154e+01 7.10458e+01 69.720  6.23511e-01  1.68742e+00  0.00000e+00 0.00000e+00 1.94038e+01 69.720  5.16420e+01 249.720 0.6618 
1 1 1 3  4  30 o 8  2.59033e+02 2.42183e+01 2.09867e+02 16.347  2.34552e+01  6.87967e+00  0.00000e+00 0.00000e+00 2.19983e+02 16.347  1.01156e+01 16.347  0.9793 
1 1 1 3  4  31 o 9  8.98499e+01 3.18439e+01 6.48745e+01 314.175 1.78508e+00  -1.83723e+00 0.00000e+00 0.00000e+00 5.44114e+01 314.175 1.04631e+01 134.175 0.7715 
1 1 1 3  4  32 o 16 1.09174e+02 4.05715e+01 9.74376e+01 169.336 -3.86451e+00 7.27686e-01  0.00000e+00 0.00000e+00 6.68757e+01 169.336 3.05618e+01 349.336 0.8609 
1 1 1 3  4  33 o 1  7.42601e+01 3.19280e+01 9.26194e+01 74.904  1.01881e+00  3.77695e+00  0.00000e+00 0.00000e+00 2.08847e+01 74.904  7.17347e+01 254.904 0.8600 
1 1 1 3  4  34 o 1  6.67482e+01 3.03119e+01 4.13318e+01 186.297 -1.89511e+00 -2.09120e-01 0.00000e+00 0.00000e+00 4.09273e+01 186.297 4.04491e-01 6.297   0.6818 
1 1 1 3  4  35 o 4  6.30448e+01 3.10184e+01 4.46395e+01 246.006 -8.52509e-01 -1.91529e+00 0.00000e+00 0.00000e+00 3.80334e+01 246.006 6.60619e+00 66.006  0.7130 
1 1 1 3  4  36 o 13 6.75080e+01 3.16842e+01 1.96751e+01 353.108 1.00914e+00  -1.21974e-01 0.00000e+00 0.00000e+00 3.74846e+01 353.108 1.78095e+01 353.108 0.4522 
1 1 1 3  4  37 o 6  5.77825e+01 2.83592e+01 1.13721e+01 254.651 -1.68032e-01 -6.12172e-01 0.00000e+00 0.00000e+00 2.19558e+01 254.651 1.05837e+01 254.651 0.3024 
1 1 1 3  4  38 o 5  5.57427e+01 2.77345e+01 9.30571e+00 35.905  4.40841e-01  3.19175e-01  0.00000e+00 0.00000e+00 1.91370e+01 35.905  9.83129e+00 35.905  0.2625 
1 1 1 3  4  39 o 14 5.27716e+01 2.66478e+01 7.06843e+00 48.675  2.93516e-01  3.33808e-01  0.00000e+00 0.00000e+00 1.56185e+01 48.675  8.55009e+00 48.675  0.2169 
1 1 1 3  5  4  f 0  8.36017e+02 1.86563e+01 4.95321e+02 189.027 -6.87557e+00 -1.09230e+00 0.00000e+00 0.00000e+00 5.58359e+02 189.027 6.30385e+01 189.027 0.9251 
1 1 1 3  5  5  o 19 9.40283e+02 2.06061e+01 5.91140e+02 273.855 7.41490e-01  -1.10026e+01 0.00000e+00 0.00000e+00 6.33133e+02 273.855 4.19937e+01 273.855 0.9535 
1 1 1 3  5  6  o 17 2.87776e+02 1.04153e+01 1.26566e+02 5.907   8.43571e-01  8.72791e-02  0.00000e+00 0.00000e+00 2.71057e+01 5.907   9.94600e+01 185.907 0.3900 
1 1 1 3  5  7  o 5  4.38593e+02 1.42628e+01 1.33846e+02 219.040 -9.42703e-01 -7.64480e-01 0.00000e+00 0.00000e+00 1.77670e+02 219.040 4.38237e+01 219.040 0.5170 
1 1 1 3  5  8  o 19 8.39041e+02 1.88073e+01 5.52921e+02 301.705 7.12404e+00  -1.15323e+01 0.00000e+00 0.00000e+00 5.60575e+02 301.705 7.65326e+00 301.705 0.9624 
1 1 1 3  5  9  o 4  1.99599e+03 4.08059e+01 1.38677e+03 351.121 6.88356e+01  -1.07541e+01 0.00000e+00 0.00000e+00 1.35758e+03 351.121 2.91914e+01 171.120 0.9928 
1 1 1 3  5  10 o 13 1.35880e+03 3.28471e+01 6.78255e+02 134.224 -1.59871e+01 1.64263e+01  0.00000e+00 0.00000e+00 1.17088e+03 134.224 4.92623e+02 134.224 0.9779 
1 1 1 3  5  11 o 18 1.65144e+03 3.95431e+01 9.96228e+02 155.963 -6.03951e+01 2.69363e+01  0.00000e+00 0.00000e+00 1.29653e+03 155.963 3.00299e+02 155.963 0.9924 
1 1 1 3  5  12 f 0  1.70513e+02 1.24143e+01 2.57589e+02 125.896 -1.37209e+00 1.89577e+00  0.00000e+00 0.00000e+00 7.84975e+01 305.896 3.36086e+02 305.896 0.7464 
1 1 1 3  5  13 o 16 7.28269e+02 1.71860e+01 3.82194e+02 91.198  -3.32804e-01 1.59129e+01  0.00000e+00 0.00000e+00 6.16088e+02 91.198  2.33894e+02 91.198  0.9681 
1 1 1 3  5  14 o 8  2.56138e+02 1.31570e+01 1.50558e+02 343.668 2.76275e+00  -8.09565e-01 0.00000e+00 0.00000e+00 1.41802e+02 343.668 8.75663e+00 163.668 0.8006 
1 1 1 3  5  15 o 7  5.20136e+02 1.41217e+01 4.46147e+02 316.692 1.58638e+01  -1.49534e+01 0.00000e+00 0.00000e+00 2.83497e+02 316.692 1.62650e+02 136.692 0.9768 
1 1 1 3  5  16 o 12 1.23685e+02 1.44908e+01 1.22599e+02 350.669 1.43390e+00  -2.35614e-01 0.00000e+00 0.00000e+00 1.79910e+01 170.669 1.40590e+02 170.669 0.5843 
1 1 1 3  5  17 o 10 3.09450e+02 1.24786e+01 2.87430e+02 235.760 -5.96397e+00 -8.76261e+00 0.00000e+00 0.00000e+00 1.42347e+02 235.760 1.45082e+02 55.760  0.9516 
1 1 1 3  5  18 f 0  5.75752e+02 1.80768e+01 2.63930e+02 233.638 -1.18517e+01 -1.60976e+01 0.00000e+00 0.00000e+00 5.62341e+02 233.638 2.98411e+02 233.638 0.9747 
1 1 1 3  5  19 o 11 4.01960e+02 1.42426e+01 2.41395e+02 80.571  2.69548e+00  1.62306e+01  0.00000e+00 0.00000e+00 3.37562e+02 80.571  9.61667e+01 80.571  0.9691 
1 1 1 3  5  20 o 10 2.58807e+02 1.76526e+01 7.07914e+01 100.252 -5.40335e-01 2.98748e+00  0.00000e+00 0.00000e+00 2.44866e+02 100.252 1.74075e+02 100.252 0.8126 
1 1 1 3  5  21 o 10 3.85652e+02 1.71477e+01 3.13468e+02 171.143 -2.29583e+01 3.57749e+00  0.00000e+00 0.00000e+00 2.58655e+02 171.143 5.48137e+01 351.143 0.9782 
1 1 1 3  5  22 o 9  1.37117e+02 2.59774e+01 6.08493e+01 275.741 1.62746e-01  -1.61871e+00 0.00000e+00 0.00000e+00 7.07340e+01 275.741 9.88463e+00 275.741 0.6260 
1 1 1 3  5  23 o 14 2.43681e+02 2.37325e+01 1.45713e+02 326.821 6.63897e+00  -4.34092e+00 0.00000e+00 0.00000e+00 2.07439e+02 326.821 6.17252e+01 326.821 0.9347 
1 1 1 3  5  24 o 9  1.61875e+02 4.49280e+01 6.41061e+01 343.163 1.78259e+00  -5.39440e-01 0.00000e+00 0.00000e+00 1.07041e+02 343.163 4.29346e+01 343.163 0.6738 
1 1 1 3  5  25 o 19 2.77988e+02 2.63654e+01 1.92798e+02 289.393 3.87850e+00  -1.10178e+01 0.00000e+00 0.00000e+00 2.29451e+02 289.393 3.66532e+01 289.393 0.9562 
1 1 1 3  5  26 o 12 2.25620e+02 3.02141e+01 1.80614e+02 86.171  5.34577e-01  7.98766e+00  0.00000e+00 0.00000e+00 1.58938e+02 86.171  2.16766e+01 266.171 0.9353 
1 1 1 3  5  27 o 3  2.55959e+02 2.87972e+01 1.59612e+02 61.615  5.10928e+00  9.45539e+00  0.00000e+00 0.00000e+00 2.37875e+02 61.615  7.82633e+01 61.615  0.9523 
1 1 1 3  5  28 o 7  2.49859e+02 2.93593e+01 9.53801e+01 204.304 -6.39689e+00 -2.88883e+00 0.00000e+00 0.00000e+00 2.87092e+02 204.304 1.91712e+02 204.304 0.9257 
1 1 1 3  5  29 o 11 1.85532e+02 2.90319e+01 1.51225e+02 250.578 -3.73702e+00 -1.05991e+01 0.00000e+00 0.00000e+00 1.45814e+02 250.578 5.41186e+00 70.578  0.9544 
1 1 1 3  5  30 o 17 1.21592e+02 3.35793e+01 4.48613e+01 41.528  1.48791e+00  1.31769e+00  0.00000e+00 0.00000e+00 9.91683e+01 41.528  5.43070e+01 41.528  0.6957 
1 1 1 3  5  31 o 6  6.28148e+01 2.73964e+01 5.93597e+01 65.128  8.36779e-01  1.80502e+00  0.00000e+00 0.00000e+00 1.62367e+01 65.128  4.31230e+01 245.128 0.6961 
1 1 1 3  5  32 o 14 6.81270e+01 3.13216e+01 4.87027e+01 293.822 6.28505e-01  -1.42351e+00 0.00000e+00 0.00000e+00 2.42650e+01 293.822 2.44377e+01 113.822 0.6097 
1 1 1 3  5  33 o 16 7.23177e+01 3.12638e+01 5.81242e+01 82.270  3.27268e-01  2.41110e+00  0.00000e+00 0.00000e+00 3.97036e+01 82.270  1.84206e+01 262.270 0.7575 
1 1 1 3  5  34 o 8  5.82696e+01 2.75160e+01 3.49113e+01 28.872  1.41336e+00  7.79316e-01  0.00000e+00 0.00000e+00 3.10265e+01 28.872  3.88480e+00 208.872 0.6231 
1 1 1 3  5  35 o 8  7.10527e+01 3.24606e+01 4.65490e+01 331.816 2.03563e+00  -1.09077e+00 0.00000e+00 0.00000e+00 5.09580e+01 331.816 4.40902e+00 331.816 0.7426 
1 1 1 3  5  36 o 14 5.40536e+01 2.67535e+01 5.15858e+01 180.957 -2.67896e+00 -4.47280e-02 0.00000e+00 0.00000e+00 2.80612e+01 180.957 2.35245e+01 0.957   0.7832 
1 1 1 3  5  37 o 6  6.05136e+01 2.93840e+01 1.29955e+01 157.690 -6.61709e-01 2.71525e-01  0.00000e+00 0.00000e+00 2.60331e+01 157.690 1.30376e+01 157.690 0.3365 
1 1 1 3  5  38 f 0  6.63840e+01 3.21816e+01 2.13676e+01 55.765  6.85291e-01  1.00705e+00  0.00000e+00 0.00000e+00 4.58350e+01 55.765  2.44674e+01 55.765  0.5184 
1 1 1 3  5  39 o 8  4.96997e+01 2.52520e+01 2.02230e+01 177.583 -1.33926e+00 5.65346e-02  0.00000e+00 0.00000e+00 3.46184e+01 177.583 1.43954e+01 177.583 0.5541 
1 1 1 3  6  0  o 2  1.71758e+03 5.04413e+01 6.83779e+02 270.000 8.92231e-07  -1.02059e+01 0.00000e+00 0.00000e+00 1.66054e+03 270.000 9.76758e+02 270.000 1.0000 
1 1 1 3  6  1  o 19 1.25598e+03 2.63577e+01 6.76347e+02 221.222 -1.10410e+01 -9.67307e+00 0.00000e+00 0.00000e+00 9.78887e+02 221.222 3.02539e+02 221.222 0.9653 
1 1 1 3  6  2  o 9  7.83122e+02 2.51317e+01 6.49204e+02 18.553  1.05150e+01  3.52904e+00  0.00000e+00 0.00000e+00 3.71316e+02 18.553  2.77887e+02 198.553 0.9538 
1 1 1 3  6  3  f 0  9.88227e+02 3.03584e+01 6.97673e+02 252.227 -4.31355e+00 -1.34573e+01 0.00000e+00 0.00000e+00 6.05469e+02 252.227 9.22047e+01 72.228  0.9639 
1 1 1 3  6  4  o 11 1.16709e+03 2.46736e+01 7.49027e+02 106.178 -4.64812e+00 1.60214e+01  0.00000e+00 0.00000e+00 8.01658e+02 106.178 5.26307e+01 106.178 0.9695 
1 1 1 3  6  5  o 17 2.30106e+03 4.70029e+01 1.31634e+03 4.428   6.71589e+01  5.20090e+00  0.00000e+00 0.00000e+00 1.82067e+03 4.428   5.04339e+02 4.428   0.9925 
1 1 1 3  6  6  o 6  1.33707e+03 2.80637e+01 6.07836e+02 236.172 -9.32737e+00 -1.39182e+01 0.00000e+00 0.00000e+00 1.17792e+03 236.172 5.70089e+02 236.172 0.9697 
1 1 1 3  6  7  o 11 5.81054e+02 1.66800e+01 3.06597e+02 4.502   5.30233e+00  4.17514e-01  0.00000e+00 0.00000e+00 4.16274e+02 4.502   1.09677e+02 4.502   0.9003 
1 1 1 3  6  8  o 14 2.28641e+03 4.65453e+01 1.33633e+03 163.595 -7.53698e+01 2.21893e+01  0.00000e+00 0.00000e+00 1.81491e+03 163.595 4.78579e+02 163.595 0.9936 
1 1 1 3  6  9  o 5  1.17879e+03 2.50277e+01 6.56347e+02 192.803 -1.79329e+01 -4.07533e+00 0.00000e+00 0.00000e+00 9.40482e+02 192.803 2.84134e+02 192.803 0.9724 
1 1 1 3  6  10 o 6  1.51890e+03 3.64862e+01 1.03045e+03 13.609  3.52846e+01  8.54182e+00  0.00000e+00 0.00000e+00 1.06615e+03 13.609  3.57018e+01 13.609  0.9861 
1 1 1 3  6  11 o 1  2.22635e+02 1.24808e+01 1.01860e+02 342.908 1.21287e+00  -3.72951e-01 0.00000e+00 0.00000e+00 6.53130e+01 342.908 3.65471e+01 162.908 0.5336 
1 1 1 3  6  12 o 1  5.59319e+02 1.44605e+01 4.15846e+02 193.934 -1.36358e+01 -3.38321e+00 0.00000e+00 0.00000e+00 3.47080e+02 193.934 6.87660e+01 13.934  0.9637 
1 1 1 3  6  13 o 4  5.86905e+02 2.13553e+01 2.60884e+02 82.651  1.29343e+00  1.00284e+01  0.00000e+00 0.00000e+00 5.32576e+02 82.651  2.71692e+02 82.651  0.9492 
1 1 1 3  6  14 o 9  5.36646e+02 1.65068e+01 3.38423e+02 347.128 1.26443e+01  -2.88942e+00 0.00000e+00 0.00000e+00 4.00865e+02 347.128 6.24422e+01 347.128 0.9606 
1 1 1 3  6  15 o 10 5.95464e+01 1.96957e+01 1.26509e+02 56.020  4.05675e-01  6.01883e-01  0.00000e+00 0.00000e+00 9.71814e+01 236.020 2.23690e+02 236.020 0.3409 
1 1 1 3  6  16 o 2  1.67154e+02 1.30836e+01 2.79025e+02 258.957 -8.32755e-01 -4.26696e+00 0.00000e+00 0.00000e+00 6.59203e+01 78.957  3.44945e+02 78.957  0.8757 
1 1 1 3  6  17 o 12 8.05235e+02 1.90098e+01 5.25756e+02 217.470 -3.61328e+01 -2.76954e+01 0.00000e+00 0.00000e+00 6.43336e+02 217.470 1.17580e+02 217.470 0.9890 
1 1 1 3  6  18 o 12 2.77930e+02 1.33029e+01 2.47998e+02 119.667 -5.37681e+00 9.43930e+00  0.00000e+00 0.00000e+00 1.44212e+02 119.667 1.03786e+02 299.667 0.9528 
1 1 1 3  6  19 o 10 2.14987e+02 1.50895e+01 1.57761e+02 46.226  3.23113e+00  3.37243e+00  0.00000e+00 0.00000e+00 1.26722e+02 46.226  3.10393e+01 226.226 0.8851 
1 1 1 3  6  20 o 19 3.26721e+02 1.71669e+01 2.11787e+02 74.007  3.94048e+00  1.37480e+01  0.00000e+00 0.00000e+00 2.63910e+02 74.007  5.21238e+01 74.007  0.9644 
1 1 1 3  6  21 o 8  1.09470e+02 3.28837e+01 6.67966e+01 327.338 1.14997e+00  -7.37203e-01 0.00000e+00 0.00000e+00 2.69208e+01 327.338 3.98758e+01 147.338 0.5612 
1 1 1 3  6  22 o 11 3.04707e+02 1.80561e+01 1.18102e+02 17.716  7.40743e+00  2.36636e+00  0.00000e+00 0.00000e+00 3.20433e+02 17.716  2.02331e+02 17.716  0.9333 
1 1 1 3  6  23 f 0  1.01665e+02 3.51165e+01 4.79018e+01 193.149 -9.37994e-01 -2.19120e-01 0.00000e+00 0.00000e+00 2.07906e+01 193.149 2.71112e+01 13.149  0.4332 
1 1 1 3  6  24 o 3  2.04988e+02 4.23592e+01 1.84442e+02 229.158 -3.65131e+00 -4.22380e+00 0.00000e+00 0.00000e+00 1.08464e+02 229.158 7.59781e+01 49.158  0.9054 
1 1 1 3  6  25 o 12 2.42778e+02 2.84591e+01 1.29025e+02 215.585 -5.38999e+00 -3.85676e+00 0.00000e+00 0.00000e+00 2.28309e+02 215.585 9.92833e+01 215.585 0.9211 
1 1 1 3  6  26 o 15 1.78662e+02 3.53709e+01 8.84984e+01 203.460 -2.72192e+00 -1.18126e+00 0.00000e+00 0.00000e+00 1.45021e+02 203.460 5.65228e+01 203.460 0.8075 
1 1 1 3  6  27 o 19 1.56021e+02 3.83434e+01 1.46548e+02 91.176  -1.16804e-01 5.69042e+00  0.00000e+00 0.00000e+00 8.56528e+01 91.176  6.08948e+01 271.176 0.9073 
1 1 1 3  6  28 f 0  2.79112e+02 4.14531e+01 1.87490e+02 57.063  6.88720e+00  1.06311e+01  0.00000e+00 0.00000e+00 2.58028e+02 57.063  7.05384e+01 57.063  0.9597 
1 1 1 3  6  29 o 6  1.19375e+02 3.41755e+01 6.91859e+01 334.433 2.67390e+00  -1.27921e+00 0.00000e+00 0.00000e+00 9.34254e+01 334.433 2.42395e+01 334.433 0.8073 
1 1 1 3  6  30 o 5  2.45898e+02 2.36563e+01 1.61632e+02 186.402 -1.73713e+01 -1.94915e+00 0.00000e+00 0.00000e+00 2.47273e+02 186.402 8.56408e+01 186.402 0.9710 
1 1 1 3  6  31 o 7  6.75138e+01 2.86880e+01 1.56257e+01 17.073  5.35057e-01  1.64325e-01  0.00000e+00 0.00000e+00 1.60121e+01 17.073  3.86355e-01 17.073  0.2694 
1 1 1 3  6  32 o 12 1.58629e+02 3.01494e+01 1.08300e+02 345.547 9.27431e+00  -2.39034e+00 0.00000e+00 0.00000e+00 1.56939e+02 345.547 4.86383e+01 345.547 0.9463 
1 1 1 3  6  33 o 7  7.45111e+01 3.16250e+01 4.34666e+01 236.882 -1.05315e+00 -1.61439e+00 0.00000e+00 0.00000e+00 4.82815e+01 236.882 4.81493e+00 236.882 0.6855 
1 1 1 3  6  34 f 0  6.56072e+01 3.04240e+01 3.48680e+01 248.320 -6.37212e-01 -1.60289e+00 0.00000e+00 0.00000e+00 4.26799e+01 248.320 7.81198e+00 248.320 0.6470 
1 1 1 3  6  35 o 13 7.06140e+01 3.21601e+01 2.16274e+01 38.777  8.57643e-01  6.88989e-01  0.00000e+00 0.00000e+00 4.14772e+01 38.777  1.98498e+01 38.777  0.4807 
1 1 1 3  6  36 o 13 7.02647e+01 3.43118e+01 8.10972e+00 101.113 -7.72034e-02 3.93043e-01  0.00000e+00 0.00000e+00 1.80020e+01 101.113 9.89225e+00 101.113 0.1964 
1 1 1 3  6  37 o 13 5.93512e+01 2.91759e+01 1.74180e+01 103.693 -2.23906e-01 9.18972e-01  0.00000e+00 0.00000e+00 3.14202e+01 103.693 1.40022e+01 103.693 0.4269 
1 1 1 3  6  38 o 7  4.71978e+01 2.39555e+01 3.59022e+00 219.699 -1.81842e-01 -1.50961e-01 0.00000e+00 0.00000e+00 7.29040e+00 219.699 3.70018e+00 219.699 0.1174 
1 1 1 3  6  39 o 13 4.36222e+01 2.23623e+01 2.98332e+01 268.988 -3.73190e-02 -2.11303e+00 0.00000e+00 0.00000e+00 3.26864e+01 268.988 2.85319e+00 268.988 0.7155 
1 1 1 3  7  0  o 10 2.52101e+02 1.41426e+01 1.46958e+02 90.000  2.20960e-17  3.60855e-01  0.00000e+00 0.00000e+00 2.70862e+01 270.000 1.74044e+02 270.000 0.3460 
1 1 1 3  7  1  o 13 2.09187e+02 9.53323e+00 3.67165e+02 238.345 -7.77079e-01 -1.26041e+00 0.00000e+00 0.00000e+00 1.97113e+02 58.345  5.64278e+02 58.345  0.5913 
1 1 1 3  7  2  o 11 6.79885e+02 1.84980e+01 6.63420e+02 143.170 -6.72672e+00 5.03764e+00  0.00000e+00 0.00000e+00 2.14394e+02 143.170 4.49026e+02 323.170 0.9385 
1 1 1 3  7  3  o 13 5.06965e+02 1.87967e+01 2.13165e+01 263.146 -2.98998e-02 -2.48744e-01 0.00000e+00 0.00000e+00 6.54845e+01 263.146 4.41680e+01 263.146 0.1243 
1 1 1 3  7  4  o 3  4.62082e+02 1.26230e+01 3.18417e+02 245.592 -1.32540e+00 -2.92070e+00 0.00000e+00 0.00000e+00 2.07143e+02 245.592 1.11274e+02 65.592  0.8242 
1 1 1 3  7  5  o 5  4.84314e+02 1.29804e+01 2.23150e+02 61.613  1.03706e+00  1.91904e+00  0.00000e+00 0.00000e+00 2.62764e+02 61.613  3.96146e+01 61.613  0.7254 
1 1 1 3  7  6  o 11 2.00573e+03 4.73474e+01 1.18520e+03 255.200 -1.72265e+01 -6.52018e+01 0.00000e+00 0.00000e+00 1.57587e+03 255.200 3.90673e+02 255.200 0.9926 
1 1 1 3  7  7  o 6  2.58515e+02 1.02630e+01 1.31091e+02 10.978  8.91078e-01  1.72846e-01  0.00000e+00 0.00000e+00 1.73737e+01 10.978  1.13717e+02 190.978 0.4127 
1 1 1 3  7  8  o 6  1.49744e+03 3.10644e+01 8.50676e+02 42.640  2.24842e+01  2.07040e+01  0.00000e+00 0.00000e+00 1.20636e+03 42.640  3.55681e+02 42.640  0.9835 
1 1 1 3  7  9  o 7  8.57492e+02 2.21658e+01 6.76763e+02 57.556  7.50172e+00  1.18010e+01  0.00000e+00 0.00000e+00 4.82241e+02 57.556  1.94522e+02 237.556 0.9636 
1 1 1 3  7  10 o 4  1.05793e+03 2.28629e+01 5.51232e+02 170.035 -2.31610e+01 4.06934e+00  0.00000e+00 0.00000e+00 9.07843e+02 170.035 3.56611e+02 170.035 0.9785 
1 1 1 3  7  11 o 4  1.38122e+02 1.75464e+01 1.84558e+02 114.373 -5.49390e-01 1.21265e+00  0.00000e+00 0.00000e+00 7.66059e+01 294.373 2.61164e+02 294.373 0.5516 
1 1 1 3  7  12 o 15 2.63261e+02 1.10545e+01 2.19633e+02 310.457 2.15121e+00  -2.52253e+00 0.00000e+00 0.00000e+00 9.20991e+01 310.457 1.27534e+02 130.457 0.8308 
1 1 1 3  7  13 o 3  1.05550e+03 2.29983e+01 7.06255e+02 293.485 2.18379e+01  -5.02602e+01 0.00000e+00 0.00000e+00 7.93693e+02 293.485 8.74381e+01 293.485 0.9908 
1 1 1 3  7  14 o 4  2.92973e+02 1.16453e+01 3.49362e+02 32.785  8.19868e+00  5.28065e+00  0.00000e+00 0.00000e+00 5.13821e+01 32.785  2.97980e+02 212.785 0.9473 
1 1 1 3  7  15 o 11 6.49799e+02 1.87520e+01 5.63686e+02 150.091 -3.05674e+01 1.75834e+01  0.00000e+00 0.00000e+00 3.68027e+02 150.091 1.95659e+02 330.091 0.9857 
1 1 1 3  7  16 o 8  4.77548e+02 1.38836e+01 3.06920e+02 170.504 -1.74911e+01 2.92577e+00  0.00000e+00 0.00000e+00 3.73148e+02 170.504 6.62281e+01 170.504 0.9714 
1 1 1 3  7  17 o 19 2.34111e+02 1.27583e+01 8.74645e+01 14.124  2.71149e+00  6.82292e-01  0.00000e+00 0.00000e+00 1.87220e+02 14.124  9.97558e+01 14.124  0.7937 
1 1 1 3  7  18 o 15 1.88339e+02 1.60369e+01 1.50584e+02 73.581  1.38168e+00  4.68872e+00  0.00000e+00 0.00000e+00 9.96082e+01 73.581  5.09763e+01 253.581 0.8907 
1 1 1 3  7  19 o 13 8.00843e+01 2.71371e+01 1.43286e+02 248.143 -6.88183e-01 -1.71566e+00 0.00000e+00 0.00000e+00 6.23603e+01 68.143  2.05646e+02 68.143  0.6713 
1 1 1 3  7  20 o 7  3.66345e+02 1.68396e+01 1.67909e+02 217.935 -9.58293e+00 -7.46955e+00 0.00000e+00 0.00000e+00 3.65594e+02 217.935 1.97685e+02 217.935 0.9579 
1 1 1 3  7  21 o 2  2.88150e+02 1.78081e+01 1.29608e+02 30.659  6.79481e+00  4.02794e+00  0.00000e+00 0.00000e+00 2.83958e+02 30.659  1.54351e+02 30.659  0.9344 
1 1 1 3  7  22 o 16 6.00275e+01 2.62916e+01 4.72739e+01 254.955 -1.73149e-01 -6.44166e-01 0.00000e+00 0.00000e+00 1.77966e+01 74.955  6.50705e+01 74.955  0.3162 
1 1 1 3  7  23 o 12 7.45487e+01 3.10367e+01 3.51322e+01 247.801 -2.00070e-01 -4.90288e-01 0.00000e+00 0.00000e+00 5.17114e+00 67.801  4.03034e+01 67.801  0.2559 
1 1 1 3  7  24 o 11 1.76189e+02 4.68440e+01 1.44408e+02 36.253  3.09050e+00  2.26630e+00  0.00000e+00 0.00000e+00 9.54899e+01 36.253  4.89182e+01 216.253 0.8568 
1 1 1 3  7  25 o 14 1.44560e+02 3.85486e+01 1.22296e+02 176.824 -3.10768e+00 1.72465e-01  0.00000e+00 0.00000e+00 6.79619e+01 176.824 5.43339e+01 356.824 0.8180 
1 1 1 3  7  26 o 18 1.26837e+02 4.07497e+01 2.92379e+01 52.558  4.57174e-01  5.97042e-01  0.00000e+00 0.00000e+00 4.34655e+01 52.558  1.42276e+01 52.558  0.3517 
1 1 1 3  7  27 o 18 9.14074e+01 3.70131e+01 8.74545e+01 0.266   2.01383e+00  9.36205e-03  0.00000e+00 0.00000e+00 1.82392e+01 0.266   6.92154e+01 180.266 0.7000 
1 1 1 3  7  28 o 19 8.59127e+01 3.51905e+01 3.32116e+01 212.740 -7.06408e-01 -4.54199e-01 0.00000e+00 0.00000e+00 2.24410e+01 212.740 1.07705e+01 32.740  0.3868 
1 1 1 3  7  29 o 18 1.54242e+02 3.22286e+01 6.55164e+01 10.655  3.90402e+00  7.34498e-01  0.00000e+00 0.00000e+00 1.60506e+02 10.655  9.49900e+01 10.655  0.8625 
1 1 1 3  7  30 o 4  7.43648e+01 2.95873e+01 3.14680e+01 98.356  -1.57237e-01 1.07054e+00  0.00000e+00 0.00000e+00 2.94102e+01 98.356  2.05779e+00 278.356 0.4747 
1 1 1 3  7  31 o 8  9.88085e+01 3.75593e+01 5.34477e+01 300.930 1.12599e+00  -1.87915e+00 0.00000e+00 0.00000e+00 7.23064e+01 300.930 1.88587e+01 300.930 0.7267 
1 1 1 3  7  32 o 1  5.28695e+01 2.49424e+01 2.50290e+01 113.689 -3.66938e-01 8.36359e-01  0.00000e+00 0.00000e+00 1.39950e+01 113.689 1.10340e+01 293.689 0.4148 
1 1 1 3  7  33 o 6  6.58445e+01 2.94126e+01 3.61570e+01 95.017  -1.43315e-01 1.63241e+00  0.00000e+00 0.00000e+00 3.87053e+01 95.017  2.54831e+00 95.017  0.6286 
1 1 1 3  7  34 f 0  7.19385e+01 3.21700e+01 7.06198e+01 289.961 1.20928e+00  -3.32956e+00 0.00000e+00 0.00000e+00 4.09760e+01 289.961 2.96437e+01 109.961 0.8433 
1 1 1 3  7  35 o 12 5.34010e+01 2.62110e+01 5.90657e+01 200.134 -2.83628e+00 -1.03986e+00 0.00000e+00 0.00000e+00 2.20521e+01 200.134 3.70136e+01 20.134  0.8115 
1 1 1 3  7  36 o 18 8.55051e+01 4.02098e+01 5.29319e+01 128.490 -1.52283e+00 1.91515e+00  0.00000e+00 0.00000e+00 7.07555e+01 128.490 1.78237e+01 128.490 0.7591 
1 1 1 3  7  37 o 15 6.24744e+01 3.02494e+01 1.08987e+01 45.333  4.24543e-01  4.29511e-01  0.00000e+00 0.00000e+00 2.41450e+01 45.333  1.32463e+01 45.333  0.2890 
1 1 1 3  7  38 o 10 4.75418e+01 2.41389e+01 1.15043e+01 201.356 -6.95159e-01 -2.71816e-01 0.00000e+00 0.00000e+00 2.13561e+01 201.356 9.85178e+00 201.356 0.3494 
1 1 1 3  7  39 o 18 4.74038e+01 2.41486e+01 2.39448e+01 328.562 1.37899e+00  -8.42997e-01 0.00000e+00 0.00000e+00 3.56753e+01 328.562 1.17305e+01 328.562 0.6236 
1 1 1 3  8  0  o 19 1.08313e+03 3.30734e+01 3.69471e+02 270.000 -2.63497e-16 -4.30323e+00 0.00000e+00 0.00000e+00 1.13056e+03 270.000 7.61094e+02 270.000 0.9996 
1 1 1 3  8  1  o 1  4.21708e+01 1.06900e+01 1.87183e+02 4.215   1.68915e-01  1.24474e-02  0.00000e+00 0.00000e+00 1.82252e+02 184.215 3.69435e+02 184.215 0.0844 
1 1 1 3  8  2  o 2  1.06616e+03 2.63439e+01 4.75392e+02 71.680  3.30360e+00  9.97721e+00  0.00000e+00 0.00000e+00 9.30970e+02 71.680  4.55578e+02 71.680  0.9512 
1 1 1 3  8  3  o 5  3.56951e+02 1.59465e+01 1.26306e+02 213.000 -7.57108e-01 -4.91664e-01 0.00000e+00 0.00000e+00 7.73413e+01 213.000 4.89651e+01 33.000  0.4109 
1 1 1 3  8  4  o 16 3.42108e+02 1.27667e+01 2.60200e+02 313.206 1.84653e+00  -1.96597e+00 0.00000e+00 0.00000e+00 1.13291e+02 313.206 1.46909e+02 133.206 0.7848 
1 1 1 3  8  5  o 19 4.90181e+02 1.30876e+01 1.48565e+02 35.626  1.67876e+00  1.20304e+00  0.00000e+00 0.00000e+00 3.35429e+02 35.626  1.86864e+02 35.626  0.7082 
1 1 1 3  8  6  o 14 1.47912e+03 3.55657e+01 1.03759e+03 160.162 -3.69412e+01 1.33271e+01  0.00000e+00 0.00000e+00 1.00379e+03 160.162 3.38039e+01 340.162 0.9872 
1 1 1 3  8  7  o 6  7.36832e+02 1.70246e+01 3.48454e+02 168.615 -6.04767e+00 1.21778e+00  0.00000e+00 0.00000e+00 5.97118e+02 168.615 2.48663e+02 168.615 0.9149 
1 1 1 3  8  8  o 6  1.93795e+03 3.98313e+01 1.33064e+03 300.649 3.11618e+01  -5.25893e+01 0.00000e+00 0.00000e+00 1.37551e+03 300.649 4.48790e+01 300.649 0.9918 
1 1 1 3  8  9  o 1  3.90050e+02 1.36041e+01 4.52857e+02 54.934  4.18123e+00  5.95671e+00  0.00000e+00 0.00000e+00 5.92482e+01 54.934  3.93609e+02 234.934 0.9285 
1 1 1 3  8  10 o 2  1.01598e+03 2.20864e+01 6.80498e+02 95.256  -3.35007e+00 3.64147e+01  0.00000e+00 0.00000e+00 7.43127e+02 95.256  6.26283e+01 95.256  0.9862 
1 1 1 3  8  11 o 11 9.07249e+02 2.01932e+01 7.14444e+02 240.808 -1.83762e+01 -3.28916e+01 0.00000e+00 0.00000e+00 5.64106e+02 240.808 1.50338e+02 60.808  0.9866 
1 1 1 3  8  12 o 16 4.13685e+02 1.45749e+01 2.67633e+02 318.050 5.39690e+00  -4.85093e+00 0.00000e+00 0.00000e+00 2.84071e+02 318.050 1.64389e+01 318.050 0.9283 
1 1 1 3  8  13 f 0  1.87088e+02 1.13671e+01 1.02822e+02 292.457 7.24265e-01  -1.75228e+00 0.00000e+00 0.00000e+00 8.10896e+01 292.457 2.17329e+01 112.457 0.6799 
1 1 1 3  8  14 o 7  6.93317e+02 1.67844e+01 5.02979e+02 148.124 -2.86703e+01 1.78289e+01  0.00000e+00 0.00000e+00 4.91165e+02 148.124 1.18145e+01 328.124 0.9851 
1 1 1 3  8  15 o 1  1.67292e+02 1.50341e+01 6.82304e+01 330.932 1.24919e+00  -6.94378e-01 0.00000e+00 0.00000e+00 7.35875e+01 330.932 5.35709e+00 330.932 0.5781 
1 1 1 3  8  16 o 10 1.25155e+02 1.54364e+01 7.63811e+01 102.216 -2.21459e-01 1.02294e+00  0.00000e+00 0.00000e+00 9.19288e+00 102.216 6.71882e+01 282.216 0.4627 
1 1 1 3  8  17 o 13 5.80548e+02 1.56687e+01 3.79377e+02 60.420  1.72034e+01  3.03085e+01  0.00000e+00 0.00000e+00 4.73228e+02 60.420  9.38516e+01 60.420  0.9855 
1 1 1 3  8  18 o 13 1.61122e+02 1.66069e+01 1.21122e+02 293.994 1.10392e+00  -2.48012e+00 0.00000e+00 0.00000e+00 6.93801e+01 293.994 5.17422e+01 113.994 0.7865 
1 1 1 3  8  19 o 14 3.81471e+02 1.67480e+01 2.51498e+02 224.702 -1.13310e+01 -1.12140e+01 0.00000e+00 0.00000e+00 3.08909e+02 224.702 5.74116e+01 224.702 0.9681 
1 1 1 3  8  20 o 15 1.49133e+02 2.29187e+01 8.43801e+01 9.135   2.31551e+00  3.72356e-01  0.00000e+00 0.00000e+00 8.63540e+01 9.135   1.97387e+00 9.135   0.7471 
1 1 1 3  8  21 o 9  7.74671e+01 2.85695e+01 4.64548e+01 26.708  6.54195e-01  3.29135e-01  0.00000e+00 0.00000e+00 5.23736e+00 206.708 5.16922e+01 206.708 0.3436 
1 1 1 3  8  22 o 6  8.84143e+01 3.13430e+01 1.23929e+02 199.966 -2.15895e+00 -7.84332e-01 0.00000e+00 0.00000e+00 2.13820e+01 19.966  1.45311e+02 19.966  0.7410 
1 1 1 3  8  23 o 8  9.44579e+01 3.38781e+01 1.47923e+01 125.266 -1.66347e-01 2.35238e-01  0.00000e+00 0.00000e+00 6.52924e+00 125.266 8.26304e+00 305.266 0.1426 
1 1 1 3  8  24 o 10 3.31705e+02 3.59059e+01 2.01454e+02 127.054 -6.70798e+00 8.88440e+00  0.00000e+00 0.00000e+00 3.05480e+02 127.054 1.04026e+02 127.054 0.9540 
1 1 1 3  8  25 o 17 1.79732e+02 4.61429e+01 4.13545e+01 105.066 -3.21126e-01 1.19300e+00  0.00000e+00 0.00000e+00 1.11290e+02 105.066 6.99351e+01 105.066 0.5236 
1 1 1 3  8  26 o 6  2.91448e+02 2.67946e+01 1.45786e+02 55.338  6.59610e+00  9.53961e+00  0.00000e+00 0.00000e+00 3.11907e+02 55.338  1.66121e+02 55.338  0.9559 
1 1 1 3  8  27 o 2  7.71721e+01 3.60630e+01 1.18829e+01 316.394 1.88230e-01  -1.79287e-01 0.00000e+00 0.00000e+00 4.67853e+00 316.394 7.20440e+00 136.394 0.1289 
1 1 1 3  8  28 o 6  1.89126e+02 4.32101e+01 1.72958e+02 270.308 4.56258e-02  -8.48930e+00 0.00000e+00 0.00000e+00 1.26899e+02 270.308 4.60590e+01 90.308  0.9391 
1 1 1 3  8  29 o 14 1.71498e+02 3.03950e+01 5.84402e+01 159.140 -3.75510e+00 1.43096e+00  0.00000e+00 0.00000e+00 1.95409e+02 159.140 1.36969e+02 159.140 0.8642 
1 1 1 3  8  30 o 9  1.48885e+02 2.90975e+01 5.06556e+01 312.640 2.41211e+00  -2.61949e+00 0.00000e+00 0.00000e+00 1.67846e+02 312.640 1.17191e+02 312.640 0.8442 
1 1 1 3  8  31 o 15 1.07249e+02 3.86527e+01 7.26756e+01 325.115 2.41365e+00  -1.68286e+00 0.00000e+00 0.00000e+00 7.98565e+01 325.115 7.18089e+00 325.115 0.8056 
1 1 1 3  8  32 o 8  7.88111e+01 3.19441e+01 7.35336e+01 148.511 -2.72264e+00 1.66771e+00  0.00000e+00 0.00000e+00 4.28435e+01 148.511 3.06901e+01 328.511 0.8233 
1 1 1 3  8  33 o 11 1.02344e+02 3.65743e+01 7.45557e+01 128.341 -2.59256e+00 3.27792e+00  0.00000e+00 0.00000e+00 8.77994e+01 128.341 1.32438e+01 128.341 0.8701 
1 1 1 3  8  34 o 7  8.54688e+01 3.58029e+01 8.68700e+00 115.280 -1.95824e-01 4.14638e-01  0.00000e+00 0.00000e+00 2.67275e+01 115.280 1.80405e+01 115.280 0.2235 
1 1 1 3  8  35 o 15 6.02981e+01 2.89845e+01 3.23738e+01 248.752 -6.00199e-01 -1.54355e+00 0.00000e+00 0.00000e+00 3.95805e+01 248.752 7.20668e+00 248.752 0.6324 
1 1 1 3  8  36 o 14 6.52639e+01 3.10153e+01 8.79737e+00 319.465 3.70876e-01  -3.17151e-01 0.00000e+00 0.00000e+00 2.09162e+01 319.465 1.21188e+01 319.465 0.2370 
1 1 1 3  8  37 o 1  5.66047e+01 2.87204e+01 1.62334e+01 6.606   9.11530e-01  1.05564e-01  0.00000e+00 0.00000e+00 2.98897e+01 6.606   1.36563e+01 6.606   0.4164 
1 1 1 3  8  38 o 17 5.53045e+01 2.77327e+01 2.91695e+01 275.163 1.59110e-01  -1.76081e+00 0.00000e+00 0.00000e+00 4.31449e+01 275.163 1.39755e+01 275.163 0.6557 
1 1 1 3  9  0  o 7  2.06521e+02 1.37322e+01 2.00279e+01 270.000 5.36241e-09  -6.13388e-02 0.00000e+00 0.00000e+00 2.34012e+00 90.000  2.23680e+01 90.000  0.0613 
1 1 1 3  9  1  o 6  4.91688e+02 1.29567e+01 2.45638e+02 200.953 -3.31578e+00 -1.26971e+00 0.00000e+00 0.00000e+00 3.34466e+02 200.953 8.88280e+01 200.953 0.8437 
1 1 1 3  9  2  o 10 1.14594e+03 2.80945e+01 6.24886e+02 235.652 -1.14788e+01 -1.67972e+01 0.00000e+00 0.00000e+00 9.38868e+02 235.652 3.13982e+02 235.652 0.9751 
1 1 1 3  9  3  o 9  1.12550e+03 2.77774e+01 5.93182e+02 47.585  1.23628e+01  1.35320e+01  0.00000e+00 0.00000e+00 9.40234e+02 47.585  3.47052e+02 47.585  0.9723 
1 1 1 3  9  4  o 9  6.91092e+02 1.87760e+01 5.09825e+02 348.208 9.03295e+00  -1.88579e+00 0.00000e+00 0.00000e+00 4.06075e+02 348.208 1.03749e+02 168.208 0.9442 
1 1 1 3  9  5  o 4  6.79913e+02 1.61231e+01 4.01560e+02 146.764 -5.66057e+00 3.70920e+00  0.00000e+00 0.00000e+00 4.81186e+02 146.764 7.96254e+01 146.764 0.9228 
1 1 1 3  9  6  o 5  2.92359e+02 1.21335e+01 2.55990e+02 45.861  1.33159e+00  1.37220e+00  0.00000e+00 0.00000e+00 2.56322e+01 45.861  2.30358e+02 225.861 0.6828 
1 1 1 3  9  7  o 7  1.27285e+03 2.67766e+01 6.28746e+02 128.293 -1.16924e+01 1.48089e+01  0.00000e+00 0.00000e+00 1.12446e+03 128.293 4.95710e+02 128.293 0.9731 
1 1 1 3  9  8  o 1  6.48084e+02 1.55829e+01 3.07161e+02 16.745  7.77594e+00  2.33949e+00  0.00000e+00 0.00000e+00 5.54909e+02 16.745  2.47748e+02 16.745  0.9362 
1 1 1 3  9  9  o 18 3.91665e+02 1.36368e+01 2.44596e+02 24.632  4.66602e+00  2.13939e+00  0.00000e+00 0.00000e+00 2.56357e+02 24.632  1.17610e+01 24.632  0.8964 
1 1 1 3  9  10 o 14 7.10593e+02 1.67483e+01 6.26506e+02 163.621 -2.51984e+01 7.40636e+00  0.00000e+00 0.00000e+00 3.72710e+02 163.621 2.53796e+02 343.621 0.9808 
1 1 1 3  9  11 o 10 7.84396e+02 1.80810e+01 5.93836e+02 269.233 -4.13240e-01 -3.08515e+01 0.00000e+00 0.00000e+00 5.18278e+02 269.233 7.55580e+01 89.233  0.9837 
1 1 1 3  9  12 o 8  5.31242e+02 1.64475e+01 3.34739e+02 130.720 -8.37851e+00 9.73388e+00  0.00000e+00 0.00000e+00 4.04802e+02 130.720 7.00625e+01 130.720 0.9602 
1 1 1 3  9  13 o 19 7.21932e+02 1.72378e+01 5.64182e+02 76.778  9.23651e+00  3.93135e+01  0.00000e+00 0.00000e+00 4.75924e+02 76.778  8.82577e+01 256.778 0.9875 
1 1 1 3  9  14 o 3  1.96639e+02 1.20962e+01 2.71009e+02 275.711 5.11125e-01  -5.11109e+00 0.00000e+00 0.00000e+00 1.20788e+01 95.711  2.83087e+02 95.711  0.8965 
1 1 1 3  9  15 o 17 1.61871e+02 1.49077e+01 4.13396e+01 307.466 4.60013e-01  -6.00245e-01 0.00000e+00 0.00000e+00 4.33130e+01 307.466 1.97339e+00 307.466 0.3534 
1 1 1 3  9  16 o 14 5.87939e+01 2.07545e+01 2.62810e+01 328.503 1.74996e-01  -1.07224e-01 0.00000e+00 0.00000e+00 1.73309e+01 148.503 4.36119e+01 148.503 0.1021 
1 1 1 3  9  17 o 17 6.85258e+01 2.27134e+01 6.13689e+01 25.077  6.37456e-01  2.98291e-01  0.00000e+00 0.00000e+00 2.71823e+01 205.077 8.85513e+01 205.077 0.3318 
1 1 1 3  9  18 o 7  1.52771e+02 1.73707e+01 4.88075e+01 49.123  8.35986e-01  9.65880e-01  0.00000e+00 0.00000e+00 7.54423e+01 49.123  2.66348e+01 49.123  0.5361 
1 1 1 3  9  19 o 8  1.53356e+02 2.02768e+01 1.51927e+02 161.172 -4.42970e+00 1.51045e+00  0.00000e+00 0.00000e+00 5.59901e+01 161.172 9.59373e+01 341.172 0.8854 
1 1 1 3  9  20 o 14 3.02327e+02 1.70740e+01 1.49760e+02 61.373  4.54021e+00  8.31793e+00  0.00000e+00 0.00000e+00 2.92360e+02 61.373  1.42600e+02 61.373  0.9457 
1 1 1 3  9  21 o 15 1.32679e+02 2.71135e+01 1.15555e+02 241.889 -1.70661e+00 -3.19469e+00 0.00000e+00 0.00000e+00 6.00818e+01 241.889 5.54735e+01 61.889  0.8472 
1 1 1 3  9  22 o 4  2.76761e+02 2.05344e+01 1.61432e+02 248.403 -3.69629e+00 -9.33741e+00 0.00000e+00 0.00000e+00 2.53345e+02 248.403 9.19130e+01 248.403 0.9488 
1 1 1 3  9  23 o 15 3.39692e+02 2.03989e+01 1.41944e+02 64.796  3.62823e+00  7.70905e+00  0.00000e+00 0.00000e+00 3.67811e+02 64.796  2.25867e+02 64.796  0.9393 
1 1 1 3  9  24 o 4  1.28247e+02 3.72235e+01 2.44682e+01 103.000 -1.36619e-01 5.91780e-01  0.00000e+00 0.00000e+00 3.57551e+01 103.000 1.12869e+01 103.000 0.2905 
1 1 1 3  9  25 o 10 2.33505e+02 4.32297e+01 1.02888e+02 357.920 4.13804e+00  -1.50255e-01 0.00000e+00 0.00000e+00 2.29117e+02 357.920 1.26229e+02 357.920 0.8687 
1 1 1 3  9  26 o 13 8.53124e+01 3.53214e+01 4.71009e+00 134.862 -7.43521e-02 7.47111e-02  0.00000e+00 0.00000e+00 2.73361e+00 134.862 1.97648e+00 314.862 0.0526 
1 1 1 3  9  27 o 18 2.17785e+02 3.18132e+01 1.36304e+02 227.364 -5.71770e+00 -6.21018e+00 0.00000e+00 0.00000e+00 2.07205e+02 227.364 7.09008e+01 227.364 0.9388 
1 1 1 3  9  28 o 1  9.05505e+01 3.42773e+01 3.43699e+01 92.365  -4.62760e-02 1.12026e+00  0.00000e+00 0.00000e+00 4.08649e+01 92.365  6.49503e+00 92.365  0.4877 
1 1 1 3  9  29 o 5  1.61245e+02 3.13088e+01 7.44440e+01 209.131 -4.01134e+00 -2.23550e+00 0.00000e+00 0.00000e+00 1.71627e+02 209.131 9.71827e+01 209.131 0.8830 
1 1 1 3  9  30 f 0  1.18181e+02 3.89030e+01 7.35665e+01 49.769  2.21189e+00  2.61455e+00  0.00000e+00 0.00000e+00 9.99715e+01 49.769  2.64050e+01 49.769  0.8371 
1 1 1 3  9  31 o 3  1.03810e+02 3.44227e+01 1.05225e+02 37.346  3.75954e+00  2.86882e+00  0.00000e+00 0.00000e+00 5.87504e+01 37.346  4.64747e+01 217.346 0.8867 
1 1 1 3  9  32 o 4  5.23914e+01 2.51309e+01 5.44065e+01 201.682 -1.87243e+00 -7.44447e-01 0.00000e+00 0.00000e+00 1.19923e+01 201.682 4.24142e+01 21.682  0.7002 
1 1 1 3  9  33 o 11 5.05944e+01 2.47586e+01 3.46885e+01 245.521 -6.44462e-01 -1.41550e+00 0.00000e+00 0.00000e+00 2.20484e+01 245.521 1.26401e+01 65.521  0.6095 
1 1 1 3  9  34 o 4  7.04605e+01 3.22559e+01 5.65934e+01 148.391 -2.38324e+00 1.46670e+00  0.00000e+00 0.00000e+00 4.80793e+01 148.391 8.51412e+00 328.391 0.7939 
1 1 1 3  9  35 f 0  8.75757e+01 3.71311e+01 5.58846e+01 131.852 -1.95048e+00 2.17749e+00  0.00000e+00 0.00000e+00 7.82065e+01 131.852 2.23219e+01 131.852 0.8042 
1 1 1 3  9  36 o 19 5.70813e+01 2.80404e+01 2.55264e+01 6.206   1.41153e+00  1.53503e-01  0.00000e+00 0.00000e+00 3.81728e+01 6.206   1.26464e+01 6.206   0.5757 
1 1 1 3  9  37 o 14 6.16113e+01 3.11060e+01 3.58877e+01 292.208 7.21951e-01  -1.76841e+00 0.00000e+00 0.00000e+00 4.71310e+01 292.208 1.12433e+01 292.208 0.6824 
1 1 1 3  9  38 o 5  5.23851e+01 2.69109e+01 2.61702e+01 337.344 1.46774e+00  -6.12638e-01 0.00000e+00 0.00000e+00 3.89413e+01 337.344 1.27711e+01 337.344 0.6177 
1 1 1 3  10 0  o 1  8.89644e+02 2.78476e+01 4.67518e+02 90.000  3.22498e-16  5.26680e+00  0.00000e+00 0.00000e+00 7.88830e+02 90.000  3.21312e+02 90.000  0.9999 
1 1 1 3  10 1  o 4  7.16224e+02 1.65744e+01 3.07307e+02 143.965 -4.48878e+00 3.26544e+00  0.00000e+00 0.00000e+00 6.08093e+02 143.965 3.00787e+02 143.965 0.9048 
1 1 1 3  10 2  f 0  9.49223e+02 2.07517e+01 5.55579e+02 346.861 1.26813e+01  -2.96020e+00 0.00000e+00 0.00000e+00 7.33731e+02 346.861 1.78152e+02 346.861 0.9608 
1 1 1 3  10 3  o 2  8.47443e+02 2.18457e+01 4.75714e+02 246.057 -4.29836e+00 -9.67995e+00 0.00000e+00 0.00000e+00 6.65708e+02 246.057 1.89994e+02 246.057 0.9516 
1 1 1 3  10 4  o 8  4.74112e+02 1.49404e+01 3.02018e+02 244.278 -1.57594e+00 -3.27142e+00 0.00000e+00 0.00000e+00 2.67857e+02 244.278 3.41601e+01 64.278  0.8477 
1 1 1 3  10 5  o 13 1.17052e+02 1.90015e+01 6.12318e+01 288.615 5.51176e-02  -1.63634e-01 0.00000e+00 0.00000e+00 4.69231e+01 108.615 1.08155e+02 108.615 0.0860 
1 1 1 3  10 6  o 6  9.33459e+02 2.04801e+01 6.95302e+02 37.921  2.14959e+01  1.67469e+01  0.00000e+00 0.00000e+00 6.10371e+02 37.921  8.49306e+01 217.921 0.9815 
1 1 1 3  10 7  o 4  1.31048e+02 1.21132e+01 2.02162e+02 15.347  1.44067e+00  3.95392e-01  0.00000e+00 0.00000e+00 9.07420e+01 195.347 2.92904e+02 195.347 0.5946 
1 1 1 3  10 8  o 2  6.05858e+02 1.71836e+01 3.94147e+02 246.555 -4.98750e+00 -1.15009e+01 0.00000e+00 0.00000e+00 4.39970e+02 246.555 4.58229e+01 246.555 0.9592 
1 1 1 3  10 9  o 14 6.69807e+02 1.60263e+01 4.38210e+02 343.264 1.64885e+01  -4.95820e+00 0.00000e+00 0.00000e+00 4.98789e+02 343.264 6.05786e+01 343.264 0.9705 
1 1 1 3  10 10 o 13 1.99748e+02 1.07565e+01 8.97913e+01 32.266  1.01624e+00  6.41594e-01  0.00000e+00 0.00000e+00 5.87205e+01 32.266  3.10708e+01 212.266 0.5133 
1 1 1 3  10 11 o 4  4.58400e+02 1.30319e+01 3.44835e+02 104.314 -2.86055e+00 1.12112e+01  0.00000e+00 0.00000e+00 2.93078e+02 104.314 5.17573e+01 284.314 0.9558 
1 1 1 3  10 12 o 10 4.61192e+02 1.54047e+01 3.34033e+02 121.272 -7.50616e+00 1.23591e+01  0.00000e+00 0.00000e+00 3.17591e+02 121.272 1.64427e+01 301.272 0.9648 
1 1 1 3  10 13 o 1  3.94678e+02 1.85245e+01 2.59458e+02 152.088 -8.75621e+00 4.63858e+00  0.00000e+00 0.00000e+00 2.92021e+02 152.088 3.25631e+01 152.088 0.9481 
1 1 1 3  10 14 o 3  2.33886e+02 1.21194e+01 2.99823e+02 358.580 8.64604e+00  -2.14324e-01 0.00000e+00 0.00000e+00 2.64953e+01 358.580 2.73328e+02 178.580 0.9403 
1 1 1 3  10 15 o 7  7.20683e+02 1.75439e+01 3.68881e+02 315.136 2.59442e+01  -2.58211e+01 0.00000e+00 0.00000e+00 6.93518e+02 315.136 3.24637e+02 315.136 0.9862 
1 1 1 3  10 16 o 8  2.50725e+02 1.50563e+01 2.00470e+02 200.408 -7.40584e+00 -2.75537e+00 0.00000e+00 0.00000e+00 1.52454e+02 200.408 4.80160e+01 20.408  0.9344 
1 1 1 3  10 17 o 17 1.79612e+02 1.55100e+01 2.51798e+01 93.731  -4.09437e-02 6.27897e-01  0.00000e+00 0.00000e+00 5.66731e+01 93.731  3.14933e+01 93.731  0.3000 
1 1 1 3  10 18 o 1  9.60253e+01 2.58920e+01 7.97739e+01 235.871 -8.52580e-01 -1.25787e+00 0.00000e+00 0.00000e+00 8.65926e+00 235.871 7.11146e+01 55.871  0.6009 
1 1 1 3  10 19 o 13 2.83313e+02 1.65159e+01 1.46480e+02 7.516   8.89185e+00  1.17313e+00  0.00000e+00 0.00000e+00 2.66562e+02 7.516   1.20083e+02 7.516   0.9425 
1 1 1 3  10 20 o 2  1.05354e+02 2.79138e+01 1.32116e+02 100.856 -5.39789e-01 2.81484e+00  0.00000e+00 0.00000e+00 5.22341e-01 280.856 1.32639e+02 280.856 0.7996 
1 1 1 3  10 21 o 15 2.58797e+02 3.49962e+01 1.77428e+02 181.942 -9.31747e+00 -3.15908e-01 0.00000e+00 0.00000e+00 2.08483e+02 181.942 3.10555e+01 181.942 0.9447 
1 1 1 3  10 22 o 18 2.12755e+02 2.38476e+01 1.65187e+02 82.972  9.89827e-01  8.02875e+00  0.00000e+00 0.00000e+00 1.52553e+02 82.972  1.26344e+01 262.972 0.9360 
1 1 1 3  10 23 o 16 2.53120e+02 2.28271e+01 1.53403e+02 88.726  1.62314e-01  7.29972e+00  0.00000e+00 0.00000e+00 2.25982e+02 88.726  7.25788e+01 88.726  0.9288 
1 1 1 3  10 24 f 0  8.24321e+01 3.46135e+01 1.36815e+02 255.220 -5.53384e-01 -2.09741e+00 0.00000e+00 0.00000e+00 3.93952e+01 75.220  1.76211e+02 75.220  0.7237 
1 1 1 3  10 25 o 13 2.44991e+02 2.83055e+01 4.78496e+01 94.805  -2.32590e-01 2.76702e+00  0.00000e+00 0.00000e+00 2.72966e+02 94.805  2.25116e+02 94.805  0.7920 
1 1 1 3  10 26 o 12 1.67952e+02 4.87759e+01 5.81017e+01 140.667 -1.71803e+00 1.40785e+00  0.00000e+00 0.00000e+00 1.47499e+02 140.667 8.93973e+01 140.667 0.7309 
1 1 1 3  10 27 o 18 9.32641e+01 3.60745e+01 1.09481e+02 248.285 -1.09743e+00 -2.75564e+00 0.00000e+00 0.00000e+00 1.83351e+01 248.285 9.11460e+01 68.285  0.8074 
1 1 1 3  10 28 o 8  5.58551e+01 2.63715e+01 2.46576e+01 285.355 1.62710e-01  -5.92527e-01 0.00000e+00 0.00000e+00 3.56394e+00 285.355 2.10936e+01 105.355 0.2936 
1 1 1 3  10 29 o 1  1.42452e+02 3.15638e+01 9.94431e+01 3.714   6.25476e+00  4.06058e-01  0.00000e+00 0.00000e+00 1.28456e+02 3.714   2.90124e+01 3.714   0.9163 
1 1 1 3  10 30 f 0  8.81593e+01 3.61346e+01 9.44297e+01 68.764  1.30174e+00  3.34979e+00  0.00000e+00 0.00000e+00 3.77149e+01 68.764  5.67148e+01 248.764 0.8459 
1 1 1 3  10 31 o 14 7.65002e+01 3.18951e+01 1.03350e+02 119.875 -2.07690e+00 3.61549e+00  0.00000e+00 0.00000e+00 1.63839e+01 119.875 8.69659e+01 299.875 0.8697 
1 1 1 3  10 32 o 11 6.46858e+01 2.94416e+01 7.31507e+01 237.574 -1.74656e+00 -2.74935e+00 0.00000e+00 0.00000e+00 2.46983e+01 237.574 4.84525e+01 57.574  0.8273 
1 1 1 3  10 33 f 0  7.83000e+01 3.60564e+01 2.00742e+01 231.853 -5.76935e-01 -7.34550e-01 0.00000e+00 0.00000e+00 4.14151e+01 231.853 2.13409e+01 231.853 0.4225 
1 1 1 3  10 34 f 0  6.12788e+01 2.92183e+01 1.76968e+01 341.028 8.35149e-01  -2.87112e-01 0.00000e+00 0.00000e+00 2.90357e+01 341.028 1.13390e+01 341.028 0.4034 
1 1 1 3  10 35 o 4  7.56787e+01 3.63304e+01 5.05439e+01 16.400  2.33208e+00  6.86351e-01  0.00000e+00 0.00000e+00 5.96874e+01 16.400  9.14352e+00 16.400  0.7573 
1 1 1 3  10 36 o 4  7.68145e+01 3.50763e+01 2.11448e+01 160.662 -1.06427e+00 3.73495e-01  0.00000e+00 0.00000e+00 5.25409e+01 160.662 3.13961e+01 160.662 0.4899 
1 1 1 3  10 37 o 9  5.37868e+01 2.75113e+01 2.78361e+01 249.606 -5.76053e-01 -1.54946e+00 0.00000e+00 0.00000e+00 3.99399e+01 249.606 1.21038e+01 249.606 0.6318 
1 1 1 3  10 38 o 15 4.94630e+01 2.51103e+01 1.51107e+01 105.272 -2.61133e-01 9.56355e-01  0.00000e+00 0.00000e+00 2.94612e+01 105.272 1.43505e+01 105.272 0.4433 
1 1 1 3  11 0  o 14 6.27248e+02 2.14424e+01 3.03541e+02 270.000 -1.42067e-16 -2.32013e+00 0.00000e+00 0.00000e+00 5.75141e+02 270.000 2.71599e+02 270.000 0.9809 
1 1 1 3  11 1  o 8  2.51806e+02 1.00139e+01 1.34271e+02 323.376 6.59307e-01  -4.90078e-01 0.00000e+00 0.00000e+00 2.27290e+00 323.376 1.31998e+02 143.376 0.3796 
1 1 1 3  11 2  o 17 3.89001e+02 1.15773e+01 2.63581e+02 73.568  1.28417e+00  4.35413e+00  0.00000e+00 0.00000e+00 2.26630e+02 73.568  3.69510e+01 253.568 0.8815 
1 1 1 3  11 3  o 9  7.01096e+02 1.89526e+01 4.65096e+02 144.390 -1.13626e+01 8.13796e+00  0.00000e+00 0.00000e+00 5.01866e+02 144.390 3.67703e+01 144.390 0.9635 
1 1 1 3  11 4  o 9  5.60525e+02 1.63719e+01 5.61131e+02 245.625 -5.39120e+00 -1.18987e+01 0.00000e+00 0.00000e+00 2.11225e+02 245.625 3.49906e+02 65.625  0.9609 
1 1 1 3  11 5  o 18 7.30510e+02 2.40426e+01 4.80576e+02 223.164 -1.42497e+01 -1.33645e+01 0.00000e+00 0.00000e+00 5.42081e+02 223.164 6.15055e+01 223.164 0.9741 
1 1 1 3  11 6  o 1  1.27057e+03 2.68064e+01 7.65050e+02 32.855  4.30778e+01  2.78202e+01  0.00000e+00 0.00000e+00 1.04815e+03 32.855  2.83097e+02 32.855  0.9902 
1 1 1 3  11 7  o 4  9.33959e+01 1.42572e+01 1.44566e+02 92.600  -3.73219e-02 8.21851e-01  0.00000e+00 0.00000e+00 9.32411e+01 272.600 2.37807e+02 272.600 0.3801 
1 1 1 3  11 8  o 11 7.16707e+02 1.92970e+01 5.56070e+02 231.286 -1.72968e+01 -2.15793e+01 0.00000e+00 0.00000e+00 4.65178e+02 231.286 9.08922e+01 51.286  0.9818 
1 1 1 3  11 9  o 10 1.04461e+02 1.11978e+01 1.78637e+02 18.347  1.17080e+00  3.88260e-01  0.00000e+00 0.00000e+00 9.89959e+01 198.346 2.77633e+02 198.346 0.5230 
1 1 1 3  11 10 o 4  4.39894e+02 1.27415e+01 1.91859e+02 170.505 -6.06353e+00 1.01411e+00  0.00000e+00 0.00000e+00 3.97403e+02 170.505 2.05545e+02 170.505 0.9146 
1 1 1 3  11 11 o 6  2.18206e+02 1.34636e+01 1.98670e+02 123.856 -2.45135e+00 3.65406e+00  0.00000e+00 0.00000e+00 8.32056e+01 123.856 1.15464e+02 303.856 0.8773 
1 1 1 3  11 12 o 17 3.79877e+02 1.42962e+01 3.92106e+02 355.455 1.46149e+01  -1.16170e+00 0.00000e+00 0.00000e+00 1.50947e+02 355.455 2.41158e+02 175.455 0.9653 
1 1 1 3  11 13 o 18 4.19657e+02 1.52360e+01 2.31292e+02 2.823   1.20034e+01  5.91846e-01  0.00000e+00 0.00000e+00 3.67530e+02 2.823   1.36239e+02 2.823   0.9574 
1 1 1 3  11 14 o 8  8.24840e+02 1.92464e+01 4.94879e+02 164.920 -4.27128e+01 1.15086e+01  0.00000e+00 0.00000e+00 7.28749e+02 164.920 2.33870e+02 164.920 0.9886 
1 1 1 3  11 15 o 18 2.46633e+02 1.28125e+01 9.37943e+01 134.231 -2.60369e+00 2.67451e+00  0.00000e+00 0.00000e+00 2.23974e+02 134.231 1.30180e+02 134.231 0.8524 
1 1 1 3  11 16 o 7  3.28792e+02 1.53822e+01 2.66893e+02 307.737 9.17319e+00  -1.18528e+01 0.00000e+00 0.00000e+00 2.16983e+02 307.737 4.99099e+01 127.737 0.9660 
1 1 1 3  11 17 o 17 2.54707e+02 1.40833e+01 2.45872e+02 139.641 -8.20540e+00 6.97332e+00  0.00000e+00 0.00000e+00 1.26757e+02 139.641 1.19115e+02 319.641 0.9524 
1 1 1 3  11 18 o 7  1.47564e+02 2.41986e+01 1.36814e+02 206.260 -3.43545e+00 -1.69490e+00 0.00000e+00 0.00000e+00 5.91004e+01 206.260 7.77136e+01 26.260  0.8567 
1 1 1 3  11 19 o 13 1.60531e+02 2.10654e+01 1.13588e+02 337.872 3.53905e+00  -1.43904e+00 0.00000e+00 0.00000e+00 1.01429e+02 337.872 1.21585e+01 157.872 0.8562 
1 1 1 3  11 20 o 19 1.14718e+02 2.78120e+01 1.13704e+01 224.585 -2.18124e-01 -2.14986e-01 0.00000e+00 0.00000e+00 1.60607e+01 224.585 4.69029e+00 224.585 0.1514 
1 1 1 3  11 21 o 12 1.52141e+02 2.76967e+01 1.44265e+02 340.292 4.39277e+00  -1.57350e+00 0.00000e+00 0.00000e+00 7.06548e+01 340.292 7.36101e+01 160.292 0.8850 
1 1 1 3  11 22 o 13 5.56787e+02 2.03057e+01 2.79605e+02 43.170  2.02232e+01  1.89712e+01  0.00000e+00 0.00000e+00 6.02455e+02 43.170  3.22849e+02 43.170  0.9818 
1 1 1 3  11 23 o 2  2.05288e+02 2.91533e+01 1.14740e+02 22.426  4.63523e+00  1.91299e+00  0.00000e+00 0.00000e+00 1.84678e+02 22.426  6.99381e+01 22.426  0.8937 
1 1 1 3  11 24 o 13 9.06573e+01 3.64843e+01 2.85258e+01 232.808 -2.93903e-01 -3.87315e-01 0.00000e+00 0.00000e+00 6.83524e+00 232.808 2.16906e+01 52.808  0.2362 
1 1 1 3  11 26 o 4  1.55439e+02 4.94978e+01 7.31465e+01 241.312 -1.16103e+00 -2.12170e+00 0.00000e+00 0.00000e+00 1.25831e+02 241.312 5.26850e+01 241.312 0.7558 
1 1 1 3  11 27 o 9  1.04549e+02 3.60807e+01 9.68437e+01 334.114 3.18074e+00  -1.54352e+00 0.00000e+00 0.00000e+00 5.44194e+01 334.114 4.24243e+01 154.114 0.8429 
1 1 1 3  11 28 o 11 9.00812e+01 3.42802e+01 7.34794e+01 115.254 -1.02318e+00 2.16905e+00  0.00000e+00 0.00000e+00 4.46444e+01 115.254 2.88350e+01 295.254 0.7535 
1 1 1 3  11 29 o 3  5.82132e+01 2.61185e+01 6.46343e+01 280.844 3.59183e-01  -1.87510e+00 0.00000e+00 0.00000e+00 5.49046e+00 280.844 5.91438e+01 100.844 0.6823 
1 1 1 3  11 30 o 13 7.66343e+01 3.34859e+01 3.14643e+01 347.073 1.01296e+00  -2.32507e-01 0.00000e+00 0.00000e+00 3.17279e+01 347.073 2.63567e-01 347.073 0.4601 
1 1 1 3  11 31 o 7  7.44644e+01 3.15687e+01 4.93371e+01 209.713 -1.83927e+00 -1.04966e+00 0.00000e+00 0.00000e+00 4.77144e+01 209.713 1.62271e+00 29.713  0.7162 
1 1 1 3  11 32 o 3  7.05488e+01 3.32741e+01 4.20681e+01 82.751  2.30924e-01  1.81546e+00  0.00000e+00 0.00000e+00 4.50411e+01 82.751  2.97306e+00 82.751  0.6678 
1 1 1 3  11 33 o 5  9.77802e+01 3.77700e+01 5.70470e+01 136.911 -2.30779e+00 2.15879e+00  0.00000e+00 0.00000e+00 9.38647e+01 136.911 3.68177e+01 136.911 0.8212 
1 1 1 3  11 34 o 7  6.10629e+01 2.91384e+01 1.81535e+01 137.092 -6.81236e-01 6.33223e-01  0.00000e+00 0.00000e+00 3.09952e+01 137.092 1.28418e+01 137.092 0.4211 
1 1 1 3  11 35 o 2  5.34963e+01 2.64996e+01 3.80066e+01 3.218   2.17889e+00  1.22493e-01  0.00000e+00 0.00000e+00 3.74912e+01 3.218   5.15446e-01 183.218 0.7256 
1 1 1 3  11 36 o 4  7.82476e+01 3.75088e+01 3.89980e+01 260.839 -3.06651e-01 -1.90150e+00 0.00000e+00 0.00000e+00 6.71805e+01 260.839 2.81825e+01 260.839 0.6853 
1 1 1 3  11 37 o 8  6.26033e+01 3.06738e+01 2.68277e+01 106.878 -4.42092e-01 1.45715e+00  0.00000e+00 0.00000e+00 4.91507e+01 106.878 2.23229e+01 106.878 0.6017 
1 1 1 3  11 38 o 9  5.96162e+01 3.04956e+01 1.44918e+01 151.687 -7.12040e-01 3.83597e-01  0.00000e+00 0.00000e+00 3.14092e+01 151.687 1.69174e+01 151.687 0.3746 
1 1 1 3  12 0  o 13 7.30592e+02 2.39280e+01 3.78554e+02 90.000  -6.79785e-07 7.77584e+00  0.00000e+00 0.00000e+00 6.77728e+02 90.000  2.99174e+02 90.000  1.0000 
1 1 1 3  12 1  o 12 6.97978e+02 1.62816e+01 4.46859e+02 307.245 1.05760e+01  -1.39108e+01 0.00000e+00 0.00000e+00 5.33205e+02 307.245 8.63458e+01 307.245 0.9710 
1 1 1 3  12 2  o 13 6.90212e+02 1.61722e+01 5.44048e+02 256.505 -4.84509e+00 -2.01890e+01 0.00000e+00 0.00000e+00 4.30500e+02 256.505 1.13548e+02 76.505  0.9756 
1 1 1 3  12 3  o 11 7.21197e+02 1.93852e+01 5.89346e+02 137.236 -1.68058e+01 1.55428e+01  0.00000e+00 0.00000e+00 4.32634e+02 137.236 1.56712e+02 317.236 0.9779 
1 1 1 3  12 4  o 8  9.56497e+02 2.98216e+01 8.38712e+02 74.257  1.32772e+01  4.71007e+01  0.00000e+00 0.00000e+00 5.35512e+02 74.257  3.03200e+02 254.257 0.9897 
1 1 1 3  12 5  f 0  1.72459e+02 1.60595e+01 2.64287e+02 284.733 7.01458e-01  -2.66749e+00 0.00000e+00 0.00000e+00 6.59659e+01 104.733 3.30253e+02 104.733 0.7904 
1 1 1 3  12 6  o 1  1.36109e+02 1.24530e+01 3.54598e+01 7.887   3.39170e-01  4.69863e-02  0.00000e+00 0.00000e+00 1.95063e+00 187.887 3.74104e+01 187.887 0.1687 
1 1 1 3  12 7  o 15 6.86361e+02 1.87530e+01 3.55068e+02 265.608 -1.25066e+00 -1.62824e+01 0.00000e+00 0.00000e+00 6.18340e+02 265.608 2.63272e+02 265.608 0.9689 
1 1 1 3  12 8  o 16 1.78182e+02 1.13808e+01 1.16114e+02 281.566 3.13937e-01  -1.53403e+00 0.00000e+00 0.00000e+00 4.41077e+01 281.566 7.20067e+01 101.566 0.6120 
1 1 1 3  12 9  o 8  2.83512e+02 1.10422e+01 2.14458e+02 63.600  2.68243e+00  5.40365e+00  0.00000e+00 0.00000e+00 1.67446e+02 63.600  4.70122e+01 243.600 0.9129 
1 1 1 3  12 10 o 10 2.21216e+02 1.08780e+01 1.50216e+02 79.217  6.27449e-01  3.29451e+00  0.00000e+00 0.00000e+00 1.23034e+02 79.217  2.71821e+01 259.217 0.8331 
1 1 1 3  12 11 o 17 2.53545e+02 1.13821e+01 2.24170e+02 264.880 -5.00045e-01 -5.58114e+00 0.00000e+00 0.00000e+00 1.18131e+02 264.880 1.06039e+02 84.880  0.9057 
1 1 1 3  12 12 o 17 4.06498e+02 1.27812e+01 2.77165e+02 31.210  1.20284e+01  7.28763e+00  0.00000e+00 0.00000e+00 3.10196e+02 31.210  3.30308e+01 31.210  0.9638 
1 1 1 3  12 13 o 14 2.09731e+02 1.49808e+01 1.52597e+02 42.514  2.60409e+00  2.38741e+00  0.00000e+00 0.00000e+00 1.14089e+02 42.514  3.85077e+01 222.514 0.8428 
1 1 1 3  12 14 o 9  1.47072e+02 1.39286e+01 1.16422e+02 213.581 -2.31733e+00 -1.53853e+00 0.00000e+00 0.00000e+00 6.06177e+01 213.581 5.58043e+01 33.581  0.7924 
1 1 1 3  12 15 o 16 4.68559e+02 1.42793e+01 2.90833e+02 91.927  -7.96813e-01 2.36824e+01  0.00000e+00 0.00000e+00 4.10858e+02 91.927  1.20025e+02 91.927  0.9787 
1 1 1 3  12 16 o 14 3.03881e+02 1.54366e+01 1.37634e+02 41.902  5.41198e+00  4.85624e+00  0.00000e+00 0.00000e+00 2.97478e+02 41.902  1.59844e+02 41.902  0.9284 
1 1 1 3  12 17 o 1  8.21192e+01 2.54530e+01 9.30278e+01 174.116 -1.45340e+00 1.49777e-01  0.00000e+00 0.00000e+00 1.81469e+01 354.116 1.11175e+02 354.116 0.5864 
1 1 1 3  12 18 o 5  1.30794e+02 2.30447e+01 1.15361e+02 283.977 7.47212e-01  -3.00206e+00 0.00000e+00 0.00000e+00 5.22221e+01 283.977 6.31384e+01 103.977 0.8167 
1 1 1 3  12 19 o 14 9.74032e+01 2.83715e+01 7.06474e+01 84.188  1.41965e-01  1.39461e+00  0.00000e+00 0.00000e+00 1.74128e+01 84.188  5.32346e+01 264.188 0.5709 
1 1 1 3  12 20 o 5  2.54178e+02 1.94590e+01 2.22573e+02 158.825 -1.23599e+01 4.78794e+00  0.00000e+00 0.00000e+00 1.68270e+02 158.825 5.43032e+01 338.825 0.9615 
1 1 1 3  12 21 o 2  5.80765e+02 2.02916e+01 3.14351e+02 340.551 4.08230e+01  -1.44157e+01 0.00000e+00 0.00000e+00 6.13179e+02 340.551 2.98829e+02 340.551 0.9884 
1 1 1 3  12 22 o 7  1.11672e+02 3.32564e+01 5.58949e+01 337.878 1.20255e+00  -4.88839e-01 0.00000e+00 0.00000e+00 4.29953e+01 337.878 1.28995e+01 157.878 0.5421 
1 1 1 3  12 23 f 0  3.11916e+02 3.84080e+01 1.79339e+02 171.109 -1.02159e+01 1.59808e+00  0.00000e+00 0.00000e+00 3.10393e+02 171.109 1.31054e+02 171.109 0.9503 
1 1 1 3  12 24 o 3  1.68510e+02 3.58039e+01 9.70478e+01 51.624  2.20780e+00  2.78797e+00  0.00000e+00 0.00000e+00 1.40718e+02 51.624  4.36704e+01 51.624  0.8440 
1 1 1 3  12 25 o 14 7.24314e+01 3.24667e+01 8.87352e+01 305.979 1.15577e+00  -1.59198e+00 0.00000e+00 0.00000e+00 3.85774e+00 125.979 9.25929e+01 125.979 0.6923 
1 1 1 3  12 26 o 3  1.07515e+02 4.33770e+01 1.00092e+02 337.093 2.52738e+00  -1.06797e+00 0.00000e+00 0.00000e+00 4.53677e+01 337.093 5.47243e+01 157.093 0.7891 
1 1 1 3  12 27 o 12 1.41050e+02 3.49845e+01 1.31111e+02 66.026  2.79954e+00  6.29570e+00  0.00000e+00 0.00000e+00 9.54164e+01 66.026  3.56948e+01 246.026 0.9243 
1 1 1 3  12 28 o 4  9.50002e+01 3.27193e+01 8.99527e+01 104.866 -9.47767e-01 3.57056e+00  0.00000e+00 0.00000e+00 5.24236e+01 104.866 3.75290e+01 284.866 0.8506 
1 1 1 3  12 29 o 10 9.55323e+01 3.65696e+01 4.37712e+01 167.993 -1.75021e+00 3.72244e-01  0.00000e+00 0.00000e+00 6.89179e+01 167.993 2.51467e+01 167.993 0.6600 
1 1 1 3  12 30 o 10 1.18005e+02 4.29168e+01 1.54720e+02 178.691 -6.92465e+00 1.58273e-01  0.00000e+00 0.00000e+00 4.32391e+01 178.691 1.11481e+02 358.691 0.9247 
1 1 1 3  12 31 o 3  6.46860e+01 2.93008e+01 6.24934e+01 314.906 1.83958e+00  -1.84562e+00 0.00000e+00 0.00000e+00 2.99858e+01 314.906 3.25076e+01 134.906 0.7760 
1 1 1 3  12 32 o 13 6.36714e+01 2.94487e+01 4.52671e+01 40.763  1.59414e+00  1.37423e+00  0.00000e+00 0.00000e+00 3.98547e+01 40.763  5.41240e+00 220.763 0.7142 
1 1 1 3  12 33 o 3  5.52207e+01 2.67597e+01 2.29427e+01 105.197 -2.94703e-01 1.08495e+00  0.00000e+00 0.00000e+00 2.84032e+01 105.197 5.46055e+00 105.197 0.4887 
1 1 1 3  12 34 o 10 6.25259e+01 2.96665e+01 3.02494e+01 4.731   1.56022e+00  1.29134e-01  0.00000e+00 0.00000e+00 4.37907e+01 4.731   1.35412e+01 4.731   0.6119 
1 1 1 3  12 35 o 7  5.56372e+01 2.74422e+01 1.17714e+01 147.874 -5.53700e-01 3.47682e-01  0.00000e+00 0.00000e+00 2.22559e+01 147.874 1.04844e+01 147.874 0.3106 
1 1 1 3  12 36 f 0  6.79639e+01 3.24818e+01 2.58116e+01 263.546 -1.56892e-01 -1.38699e+00 0.00000e+00 0.00000e+00 5.17537e+01 263.546 2.59420e+01 263.546 0.5693 
1 1 1 3  12 37 o 14 5.19533e+01 2.61584e+01 2.13340e+01 38.482  1.04552e+00  8.31110e-01  0.00000e+00 0.00000e+00 3.73081e+01 38.482  1.59741e+01 38.482  0.5528 
1 1 1 3  13 0  o 12 7.00779e+02 2.32502e+01 3.52929e+02 270.000 6.48039e-07  -7.41270e+00 0.00000e+00 0.00000e+00 6.73845e+02 270.000 3.20916e+02 270.000 1.0000 
1 1 1 3  13 1  o 18 5.00446e+02 1.31705e+01 5.07795e+02 77.818  3.21558e+00  1.48956e+01  0.00000e+00 0.00000e+00 2.01149e+02 77.818  3.06647e+02 257.818 0.9666 
1 1 1 3  13 2  o 9  7.00515e+02 1.64194e+01 4.07539e+02 350.393 1.66162e+01  -2.81240e+00 0.00000e+00 0.00000e+00 5.88919e+02 350.393 1.81380e+02 350.393 0.9699 
1 1 1 3  13 3  o 12 8.43228e+02 1.88785e+01 5.90230e+02 235.505 -1.97742e+01 -2.87773e+01 0.00000e+00 0.00000e+00 6.30202e+02 235.505 3.99717e+01 235.505 0.9856 
1 1 1 3  13 4  o 19 1.76691e+02 1.44959e+01 4.64103e+01 177.259 -5.64377e-01 2.70170e-02  0.00000e+00 0.00000e+00 2.42409e+01 177.259 2.21694e+01 357.259 0.2718 
1 1 1 3  13 5  o 16 5.32163e+02 1.38792e+01 4.03597e+02 27.790  1.26939e+01  6.68994e+00  0.00000e+00 0.00000e+00 3.53198e+02 27.790  5.03988e+01 207.790 0.9645 
1 1 1 3  13 6  o 4  4.42397e+02 1.46480e+01 3.55882e+02 358.534 1.18944e+01  -3.04463e-01 0.00000e+00 0.00000e+00 2.70104e+02 358.534 8.57777e+01 178.534 0.9570 
1 1 1 3  13 7  o 3  4.34030e+02 1.75545e+01 3.39112e+02 208.487 -1.28622e+01 -6.97973e+00 0.00000e+00 0.00000e+00 2.82328e+02 208.487 5.67846e+01 28.487  0.9652 
1 1 1 3  13 8  f 0  8.09234e+02 1.85092e+01 4.14370e+02 151.067 -2.78287e+01 1.53834e+01  0.00000e+00 0.00000e+00 7.71501e+02 151.067 3.57131e+02 151.067 0.9841 
1 1 1 3  13 9  o 19 3.53697e+02 1.17842e+01 7.08229e+01 201.817 -2.29347e+00 -9.18094e-01 0.00000e+00 0.00000e+00 3.32081e+02 201.817 2.61258e+02 201.817 0.7617 
1 1 1 3  13 10 o 1  6.88513e+02 1.66025e+01 4.72556e+02 235.175 -1.78653e+01 -2.56810e+01 0.00000e+00 0.00000e+00 5.45336e+02 235.175 7.27804e+01 235.175 0.9839 
1 1 1 3  13 11 o 18 5.16292e+02 1.40403e+01 3.56107e+02 358.201 2.26821e+01  -7.12506e-01 0.00000e+00 0.00000e+00 4.06415e+02 358.201 5.03076e+01 358.201 0.9777 
1 1 1 3  13 12 o 14 3.62866e+02 1.23039e+01 1.29938e+02 80.545  1.10522e+00  6.63680e+00  0.00000e+00 0.00000e+00 3.78589e+02 80.545  2.48651e+02 80.545  0.9224 
1 1 1 3  13 13 o 17 5.80036e+01 1.85339e+01 3.99857e+01 186.962 -3.67943e-01 -4.49280e-02 0.00000e+00 0.00000e+00 2.38247e+01 6.962   6.38105e+01 6.962   0.1822 
1 1 1 3  13 14 o 10 3.78826e+02 2.02424e+01 3.41075e+02 330.329 1.91114e+01  -1.08882e+01 0.00000e+00 0.00000e+00 2.28686e+02 330.329 1.12390e+02 150.329 0.9770 
1 1 1 3  13 15 o 6  1.38493e+02 1.65299e+01 8.13332e+01 212.575 -1.65804e+00 -1.05935e+00 0.00000e+00 0.00000e+00 6.73644e+01 212.575 1.39688e+01 32.575  0.6924 
1 1 1 3  13 16 o 8  1.33584e+02 1.77437e+01 1.23900e+02 146.984 -2.90094e+00 1.88507e+00  0.00000e+00 0.00000e+00 5.12578e+01 146.984 7.26422e+01 326.984 0.8390 
1 1 1 3  13 17 o 1  9.78940e+01 3.10445e+01 4.75448e+01 112.630 -3.47615e-01 8.33842e-01  0.00000e+00 0.00000e+00 1.58808e+01 112.630 3.16640e+01 292.630 0.4111 
1 1 1 3  13 18 o 8  2.65465e+02 1.70697e+01 2.07484e+02 339.295 1.16320e+01  -4.39647e+00 0.00000e+00 0.00000e+00 1.97243e+02 339.295 1.02419e+01 159.295 0.9589 
1 1 1 3  13 19 o 9  9.86832e+01 2.93635e+01 5.65752e+01 168.654 -1.19457e+00 2.39692e-01  0.00000e+00 0.00000e+00 2.55300e+01 168.654 3.10452e+01 348.654 0.5184 
1 1 1 3  13 20 o 12 1.61120e+02 2.53311e+01 1.46231e+02 292.287 2.06565e+00  -5.03981e+00 0.00000e+00 0.00000e+00 8.95158e+01 292.287 5.67150e+01 112.287 0.9028 
1 1 1 3  13 21 o 7  6.57296e+02 2.17552e+01 3.64418e+02 23.962  4.24255e+01  1.88551e+01  0.00000e+00 0.00000e+00 7.00273e+02 23.962  3.35856e+02 23.962  0.9892 
1 1 1 3  13 22 o 6  1.46854e+02 3.08948e+01 7.50293e+01 182.769 -2.14370e+00 -1.03690e-01 0.00000e+00 0.00000e+00 1.00095e+02 182.769 2.50661e+01 182.769 0.7204 
1 1 1 3  13 24 o 15 1.65494e+02 3.47510e+01 1.41499e+02 126.480 -3.71700e+00 5.02693e+00  0.00000e+00 0.00000e+00 1.15365e+02 126.480 2.61342e+01 306.480 0.9161 
1 1 1 3  13 26 o 16 7.81789e+01 3.56552e+01 1.49925e+02 322.177 3.26731e+00  -2.53651e+00 0.00000e+00 0.00000e+00 3.19415e+01 142.177 1.81866e+02 142.177 0.8686 
1 1 1 3  13 27 o 12 1.61774e+02 4.36206e+01 1.42878e+02 123.202 -3.73045e+00 5.70032e+00  0.00000e+00 0.00000e+00 1.20161e+02 123.202 2.27171e+01 303.202 0.9234 
1 1 1 3  13 28 o 13 7.78340e+01 3.03015e+01 4.31802e+01 352.996 1.53652e+00  -1.88764e-01 0.00000e+00 0.00000e+00 4.12858e+01 352.996 1.89442e+00 172.996 0.6078 
1 1 1 3  13 29 o 18 9.61816e+01 3.78822e+01 9.15278e+01 46.147  2.34832e+00  2.44430e+00  0.00000e+00 0.00000e+00 5.39647e+01 46.147  3.75631e+01 226.147 0.8351 
1 1 1 3  13 30 o 12 1.06313e+02 3.46226e+01 7.41775e+01 130.376 -2.58280e+00 3.03737e+00  0.00000e+00 0.00000e+00 9.45043e+01 130.376 2.03268e+01 130.376 0.8630 
1 1 1 3  13 31 o 14 1.12319e+02 3.68648e+01 7.74605e+01 121.389 -2.35657e+00 3.86236e+00  0.00000e+00 0.00000e+00 1.07294e+02 121.389 2.98335e+01 121.389 0.8810 
1 1 1 3  13 32 o 5  5.34079e+01 2.59565e+01 1.71787e+01 205.677 -7.82330e-01 -3.76122e-01 0.00000e+00 0.00000e+00 2.31107e+01 205.677 5.93203e+00 205.677 0.3977 
1 1 1 3  13 33 o 10 6.51746e+01 3.03089e+01 6.67266e+01 314.605 2.39404e+00  -2.42724e+00 0.00000e+00 0.00000e+00 3.83626e+01 314.605 2.83640e+01 134.605 0.8362 
1 1 1 3  13 34 f 0  6.59280e+01 3.10495e+01 1.93707e+01 96.452  -1.15222e-01 1.01889e+00  0.00000e+00 0.00000e+00 3.94970e+01 96.452  2.01263e+01 96.452  0.4553 
1 1 1 3  13 35 o 7  5.48154e+01 2.71255e+01 2.59683e+01 191.874 -1.44165e+00 -3.03115e-01 0.00000e+00 0.00000e+00 3.85064e+01 191.874 1.25381e+01 191.874 0.5894 
1 1 1 3  13 36 o 9  5.33366e+01 2.66892e+01 1.19026e+01 287.030 2.12468e-01  -6.93644e-01 0.00000e+00 0.00000e+00 2.50236e+01 287.030 1.31210e+01 287.030 0.3408 
1 1 1 3  13 37 o 18 4.83815e+01 2.45602e+01 1.03743e+01 320.642 5.27676e-01  -4.32790e-01 0.00000e+00 0.00000e+00 2.19423e+01 320.642 1.15681e+01 320.642 0.3228 
1 1 1 3  14 0  o 13 8.39044e+02 2.66775e+01 8.38039e+02 270.000 -1.65089e-15 -2.69610e+01 0.00000e+00 0.00000e+00 4.09144e+02 270.000 4.28895e+02 90.000  1.0000 
1 1 1 3  14 1  o 5  4.70622e+02 1.27759e+01 3.32276e+02 231.152 -7.57985e+00 -9.41144e+00 0.00000e+00 0.00000e+00 3.37841e+02 231.152 5.56529e+00 231.152 0.9577 
1 1 1 3  14 2  o 11 8.13981e+02 1.83702e+01 6.75076e+02 87.299  1.96181e+00  4.15810e+01  0.00000e+00 0.00000e+00 5.21437e+02 87.299  1.53638e+02 267.299 0.9879 
1 1 1 3  14 3  o 14 2.19138e+02 1.13657e+01 1.39045e+02 297.060 1.04521e+00  -2.04604e+00 0.00000e+00 0.00000e+00 1.02893e+02 297.060 3.61521e+01 117.060 0.7411 
1 1 1 3  14 4  o 18 9.21863e+01 1.76033e+01 5.96474e+01 248.806 -2.00032e-01 -5.15880e-01 0.00000e+00 0.00000e+00 2.29709e+01 68.806  8.26183e+01 68.806  0.2666 
1 1 1 3  14 5  o 8  7.80280e+02 2.57351e+01 2.87793e+02 249.497 -7.50652e+00 -2.00737e+01 0.00000e+00 0.00000e+00 8.51812e+02 249.497 5.64019e+02 249.497 0.9764 
1 1 1 3  14 6  o 9  3.84477e+02 2.31535e+01 2.95293e+02 196.405 -1.09077e+01 -3.21125e+00 0.00000e+00 0.00000e+00 2.55443e+02 196.405 3.98505e+01 16.405  0.9550 
1 1 1 3  14 7  o 4  7.27306e+02 2.43321e+01 3.71018e+02 341.802 2.46695e+01  -8.10976e+00 0.00000e+00 0.00000e+00 7.02229e+02 341.802 3.31212e+02 341.802 0.9806 
1 1 1 3  14 8  o 7  1.13868e+03 2.46769e+01 7.82770e+02 50.249  5.45025e+01  6.55305e+01  0.00000e+00 0.00000e+00 9.27221e+02 50.249  1.44451e+02 50.249  0.9941 
1 1 1 3  14 9  o 3  4.39520e+02 1.28540e+01 3.39321e+02 128.901 -1.19222e+01 1.47749e+01  0.00000e+00 0.00000e+00 3.09673e+02 128.901 2.96481e+01 308.901 0.9733 
1 1 1 3  14 10 o 3  4.97521e+02 1.60543e+01 2.79322e+02 174.604 -1.57352e+01 1.48634e+00  0.00000e+00 0.00000e+00 4.54697e+02 174.604 1.75375e+02 174.604 0.9678 
1 1 1 3  14 11 o 8  6.10688e+02 1.81303e+01 2.69149e+02 27.994  2.00934e+01  1.06810e+01  0.00000e+00 0.00000e+00 6.45923e+02 27.994  3.76775e+02 27.994  0.9778 
1 1 1 3  14 12 o 9  2.22295e+02 1.22523e+01 2.37757e+02 260.617 -1.40203e+00 -8.48428e+00 0.00000e+00 0.00000e+00 8.43034e+01 260.617 1.53454e+02 80.617  0.9399 
1 1 1 3  14 13 o 10 1.36219e+02 1.48906e+01 1.35645e+02 262.533 -4.18474e-01 -3.19290e+00 0.00000e+00 0.00000e+00 3.86819e+01 262.533 9.69630e+01 82.533  0.8250 
1 1 1 3  14 14 o 10 2.63935e+02 2.16214e+01 2.65359e+02 86.446  7.40605e-01  1.19238e+01  0.00000e+00 0.00000e+00 1.29193e+02 86.446  1.36166e+02 266.446 0.9572 
1 1 1 3  14 15 o 13 1.25364e+02 1.79665e+01 1.08132e+02 206.038 -2.55714e+00 -1.24932e+00 0.00000e+00 0.00000e+00 4.92372e+01 206.038 5.88948e+01 26.038  0.7979 
1 1 1 3  14 16 o 6  9.47421e+01 2.37680e+01 8.60542e+01 278.452 2.49698e-01  -1.68033e+00 0.00000e+00 0.00000e+00 1.03224e+01 278.452 7.57318e+01 98.452  0.6416 
1 1 1 3  14 17 o 19 9.33272e+01 2.93383e+01 1.21228e+02 226.027 -1.62448e+00 -1.68379e+00 0.00000e+00 0.00000e+00 9.86021e+00 46.027  1.31088e+02 46.027  0.7464 
1 1 1 3  14 18 o 18 7.81903e+01 2.73100e+01 8.11338e+01 15.936  1.44100e+00  4.11458e-01  0.00000e+00 0.00000e+00 5.99380e+00 195.936 8.71276e+01 195.936 0.5958 
1 1 1 3  14 19 o 16 1.31017e+02 3.06753e+01 1.01895e+02 177.214 -2.76914e+00 1.34738e-01  0.00000e+00 0.00000e+00 6.69697e+01 177.214 3.49257e+01 357.214 0.7916 
1 1 1 3  14 20 o 10 1.94870e+02 2.34994e+01 8.13164e+01 336.393 2.56788e+00  -1.12224e+00 0.00000e+00 0.00000e+00 1.73162e+02 336.393 9.18458e+01 336.393 0.7942 
1 1 1 3  14 21 o 18 2.88505e+02 2.05422e+01 1.76560e+02 97.006  -1.45314e+00 1.18245e+01  0.00000e+00 0.00000e+00 2.82150e+02 97.006  1.05590e+02 97.006  0.9571 
1 1 1 3  14 22 o 12 1.93701e+02 2.51143e+01 1.03909e+02 173.920 -4.30281e+00 4.58323e-01  0.00000e+00 0.00000e+00 1.80735e+02 173.920 7.68257e+01 173.920 0.8750 
1 1 1 3  14 23 o 10 2.53277e+02 4.44075e+01 1.46022e+02 344.721 7.64775e+00  -2.08917e+00 0.00000e+00 0.00000e+00 2.56058e+02 344.721 1.10037e+02 344.721 0.9346 
1 1 1 3  14 24 o 17 1.46280e+02 5.11081e+01 1.41346e+02 141.702 -3.51913e+00 2.77906e+00  0.00000e+00 0.00000e+00 7.98764e+01 141.702 6.14694e+01 321.702 0.8799 
1 1 1 3  14 25 f 0  1.43433e+02 3.48990e+01 9.95665e+01 301.651 2.30317e+00  -3.73636e+00 0.00000e+00 0.00000e+00 1.19327e+02 301.651 1.97606e+01 301.651 0.8770 
1 1 1 3  14 26 f 0  1.14468e+02 3.60628e+01 5.56381e+01 76.338  5.46184e-01  2.24697e+00  0.00000e+00 0.00000e+00 9.42708e+01 76.338  3.86326e+01 76.338  0.7430 
1 1 1 3  14 27 o 11 8.81505e+01 3.73283e+01 9.36371e+01 155.461 -2.88600e+00 1.31759e+00  0.00000e+00 0.00000e+00 3.58026e+01 155.461 5.78344e+01 335.461 0.8220 
1 1 1 3  14 28 o 15 8.91673e+01 3.24429e+01 5.51591e+01 23.437  2.16681e+00  9.39328e-01  0.00000e+00 0.00000e+00 6.58274e+01 23.437  1.06683e+01 23.437  0.7491 
1 1 1 3  14 29 o 18 7.05239e+01 2.97564e+01 2.74551e+01 9.144   1.08177e+00  1.74125e-01  0.00000e+00 0.00000e+00 3.46558e+01 9.144   7.20071e+00 9.144   0.4793 
1 1 1 3  14 30 o 9  7.93445e+01 3.23866e+01 8.42487e+01 355.790 3.85641e+00  -2.83848e-01 0.00000e+00 0.00000e+00 4.27554e+01 355.790 4.14933e+01 175.790 0.8582 
1 1 1 3  14 31 o 19 8.89886e+01 3.51653e+01 2.99568e+01 60.577  7.60890e-01  1.34907e+00  0.00000e+00 0.00000e+00 7.25177e+01 60.577  4.25609e+01 60.577  0.6080 
1 1 1 3  14 32 o 8  5.48473e+01 2.66629e+01 4.98812e+01 190.709 -2.39333e+00 -4.52629e-01 0.00000e+00 0.00000e+00 3.01051e+01 190.709 1.97762e+01 10.709  0.7578 
1 1 1 3  14 33 o 11 5.11127e+01 2.52330e+01 2.14177e+01 33.310  9.39328e-01  6.17253e-01  0.00000e+00 0.00000e+00 2.74355e+01 33.310  6.01780e+00 33.310  0.4886 
1 1 1 3  14 34 o 7  7.06607e+01 3.26895e+01 1.15618e+01 7.918   6.13353e-01  8.53059e-02  0.00000e+00 0.00000e+00 3.00047e+01 7.918   1.84428e+01 7.918   0.2957 
1 1 1 3  14 35 o 12 5.20977e+01 2.60376e+01 1.77976e+01 208.536 -9.23164e-01 -5.01994e-01 0.00000e+00 0.00000e+00 3.11514e+01 208.536 1.33538e+01 208.536 0.4641 
1 1 1 3  14 36 o 9  6.13261e+01 3.00153e+01 7.09487e+00 329.178 3.49329e-01  -2.08425e-01 0.00000e+00 0.00000e+00 1.80951e+01 329.178 1.10002e+01 329.178 0.1993 
1 1 1 3  15 0  o 15 1.44792e+02 1.50530e+01 1.90443e+02 90.000  8.23432e-17  1.34477e+00  0.00000e+00 0.00000e+00 3.33602e-01 90.000  1.90109e+02 270.000 0.8728 
1 1 1 3  15 1  o 7  2.26313e+02 1.00908e+01 1.96881e+02 275.567 4.52696e-01  -4.64455e+00 0.00000e+00 0.00000e+00 1.05557e+02 275.567 9.13242e+01 95.567  0.8850 
1 1 1 3  15 2  o 11 3.69791e+02 1.31697e+01 2.96384e+02 194.339 -1.09629e+01 -2.80244e+00 0.00000e+00 0.00000e+00 2.37120e+02 194.339 5.92636e+01 14.339  0.9547 
1 1 1 3  15 3  o 14 3.29909e+02 1.30198e+01 2.58619e+02 36.805  6.95521e+00  5.20419e+00  0.00000e+00 0.00000e+00 2.10865e+02 36.805  4.77542e+01 216.805 0.9405 
1 1 1 3  15 4  o 11 2.16147e+02 1.22790e+01 1.81616e+02 343.049 3.75445e+00  -1.14436e+00 0.00000e+00 0.00000e+00 1.00320e+02 343.049 8.12959e+01 163.049 0.8606 
1 1 1 3  15 5  o 7  8.40146e+01 1.58754e+01 1.82451e+02 240.311 -7.61357e-01 -1.33540e+00 0.00000e+00 0.00000e+00 1.05210e+02 60.311  2.87660e+02 60.311  0.6052 
1 1 1 3  15 6  o 10 6.40458e+02 1.79497e+01 2.92369e+02 167.672 -1.77357e+01 3.87596e+00  0.00000e+00 0.00000e+00 6.56016e+02 167.672 3.63647e+02 167.672 0.9721 
1 1 1 3  15 7  o 11 4.60375e+02 1.53090e+01 1.87938e+02 233.333 -6.55514e+00 -8.80496e+00 0.00000e+00 0.00000e+00 4.82825e+02 233.333 2.94887e+02 233.333 0.9533 
1 1 1 3  15 8  o 1  3.88672e+02 1.44208e+01 2.31055e+02 321.387 8.11841e+00  -6.48380e+00 0.00000e+00 0.00000e+00 3.35763e+02 321.387 1.04708e+02 321.387 0.9506 
1 1 1 3  15 9  o 17 3.22705e+02 1.16932e+01 3.66056e+02 332.091 1.50676e+01  -7.98087e+00 0.00000e+00 0.00000e+00 1.16343e+02 332.091 2.49712e+02 152.091 0.9702 
1 1 1 3  15 10 o 7  4.82854e+02 1.37004e+01 4.49798e+02 348.549 3.54554e+01  -7.18181e+00 0.00000e+00 0.00000e+00 2.87325e+02 348.549 1.62473e+02 168.549 0.9861 
1 1 1 3  15 11 o 18 4.14755e+02 2.02502e+01 1.73917e+02 66.201  5.11365e+00  1.15945e+01  0.00000e+00 0.00000e+00 4.45576e+02 66.201  2.71659e+02 66.201  0.9597 
1 1 1 3  15 12 o 16 5.06292e+02 2.14056e+01 2.45826e+02 211.435 -1.48695e+01 -9.08895e+00 0.00000e+00 0.00000e+00 5.23649e+02 211.435 2.77823e+02 211.435 0.9709 
1 1 1 3  15 13 o 6  1.11501e+02 1.60317e+01 3.45033e+01 350.980 6.63928e-01  -1.05398e-01 0.00000e+00 0.00000e+00 2.14344e+01 350.980 1.30689e+01 170.980 0.3185 
1 1 1 3  15 14 o 13 1.73378e+02 2.07383e+01 1.40486e+02 202.039 -4.53705e+00 -1.83671e+00 0.00000e+00 0.00000e+00 1.04500e+02 202.039 3.59868e+01 22.039  0.8909 
1 1 1 3  15 15 o 5  7.48404e+01 2.24646e+01 3.49475e+01 107.071 -1.61989e-01 5.27494e-01  0.00000e+00 0.00000e+00 3.15165e+00 287.071 3.80991e+01 287.071 0.2659 
1 1 1 3  15 16 o 5  1.45309e+02 2.71456e+01 1.25505e+02 49.259  2.52475e+00  2.93109e+00  0.00000e+00 0.00000e+00 7.53185e+01 49.259  5.01863e+01 229.259 0.8583 
1 1 1 3  15 17 o 18 2.13262e+02 4.00336e+01 1.25885e+02 334.058 4.92687e+00  -2.39680e+00 0.00000e+00 0.00000e+00 1.86949e+02 334.058 6.10640e+01 334.058 0.9034 
1 1 1 3  15 18 o 11 1.79950e+02 2.42261e+01 1.18254e+02 127.994 -2.92127e+00 3.73992e+00  0.00000e+00 0.00000e+00 1.43253e+02 127.994 2.49981e+01 127.994 0.8871 
1 1 1 3  15 19 o 4  1.14725e+02 3.02145e+01 9.13009e+01 254.000 -4.90489e-01 -1.71051e+00 0.00000e+00 0.00000e+00 3.35216e+01 254.000 5.77793e+01 74.000  0.6580 
1 1 1 3  15 20 o 9  3.10588e+02 2.00101e+01 2.41765e+02 342.361 1.70325e+01  -5.41566e+00 0.00000e+00 0.00000e+00 2.62134e+02 342.361 2.03687e+01 342.361 0.9716 
1 1 1 3  15 21 o 18 3.12797e+02 2.95137e+01 1.56201e+02 207.993 -8.86645e+00 -4.71294e+00 0.00000e+00 0.00000e+00 3.44528e+02 207.993 1.88327e+02 207.993 0.9488 
1 1 1 3  15 22 o 6  6.78881e+01 2.95909e+01 6.23025e+01 202.720 -9.26906e-01 -3.88112e-01 0.00000e+00 0.00000e+00 1.04163e+01 22.720  7.27188e+01 22.720  0.4481 
1 1 1 3  15 23 o 16 2.53594e+02 2.61013e+01 1.73361e+02 55.982  8.44853e+00  1.25169e+01  0.00000e+00 0.00000e+00 2.49353e+02 55.982  7.59927e+01 55.982  0.9663 
1 1 1 3  15 24 o 7  2.14032e+02 2.99046e+01 1.68080e+02 276.037 1.24729e+00  -1.17940e+01 0.00000e+00 0.00000e+00 1.89416e+02 276.037 2.13361e+01 276.037 0.9569 
1 1 1 3  15 25 f 0  1.13132e+02 4.25522e+01 1.33449e+02 11.243  4.66029e+00  9.26401e-01  0.00000e+00 0.00000e+00 4.39531e+01 11.243  8.94956e+01 191.243 0.8873 
1 1 1 3  15 26 o 1  1.07627e+02 3.48053e+01 1.07568e+02 103.216 -9.48197e-01 4.03750e+00  0.00000e+00 0.00000e+00 5.98540e+01 103.216 4.77144e+01 283.216 0.8690 
1 1 1 3  15 27 o 9  8.49727e+01 3.60543e+01 3.78419e+01 346.195 1.33144e+00  -3.27156e-01 0.00000e+00 0.00000e+00 4.88900e+01 346.195 1.10481e+01 346.195 0.5626 
1 1 1 3  15 28 o 17 6.35386e+01 2.97194e+01 3.51285e+01 282.075 2.31545e-01  -1.08237e+00 0.00000e+00 0.00000e+00 2.13242e+01 282.075 1.38043e+01 102.075 0.4830 
1 1 1 3  15 29 o 18 5.78337e+01 2.69354e+01 2.48981e+01 260.941 -1.52743e-01 -9.58015e-01 0.00000e+00 0.00000e+00 2.21275e+01 260.941 2.77058e+00 80.941  0.4357 
1 1 1 3  15 30 o 12 9.04456e+01 3.46514e+01 2.77758e+01 299.334 7.15822e-01  -1.27379e+00 0.00000e+00 0.00000e+00 7.26842e+01 299.334 4.49083e+01 299.334 0.5864 
1 1 1 3  15 31 f 0  6.30009e+01 2.93793e+01 3.76038e+01 234.963 -1.09447e+00 -1.56090e+00 0.00000e+00 0.00000e+00 4.50193e+01 234.963 7.41545e+00 234.963 0.6818 
1 1 1 3  15 32 o 13 7.34153e+01 3.30375e+01 3.13364e+01 29.622  1.37811e+00  7.83576e-01  0.00000e+00 0.00000e+00 5.71229e+01 29.622  2.57865e+01 29.622  0.6165 
1 1 1 3  15 33 o 2  7.18206e+01 3.28438e+01 5.01140e+01 120.710 -1.34427e+00 2.26309e+00  0.00000e+00 0.00000e+00 6.09863e+01 120.710 1.08723e+01 120.710 0.7786 
1 1 1 3  15 34 o 17 6.23476e+01 2.98209e+01 1.44839e+01 153.339 -7.16029e-01 3.59510e-01  0.00000e+00 0.00000e+00 3.23232e+01 153.339 1.78393e+01 153.339 0.3716 
1 1 1 3  15 35 o 12 6.76519e+01 3.22289e+01 3.71968e+01 320.471 1.59857e+00  -1.31911e+00 0.00000e+00 0.00000e+00 6.14660e+01 320.471 2.42693e+01 320.471 0.7093 
1 1 1 3  15 36 o 16 5.15095e+01 2.59344e+01 9.18344e+00 88.740  1.27859e-02  5.81314e-01  0.00000e+00 0.00000e+00 2.09075e+01 88.740  1.17241e+01 88.740  0.2791 
1 1 1 3  16 0  o 9  2.95838e+02 1.56079e+01 3.20604e+02 90.000  2.88093e-16  4.70491e+00  0.00000e+00 0.00000e+00 1.33359e+02 90.000  1.87245e+02 270.000 0.9998 
1 1 1 3  16 1  o 15 4.38644e+02 1.25135e+01 3.86932e+02 60.706  8.19624e+00  1.46089e+01  0.00000e+00 0.00000e+00 2.66029e+02 60.706  1.20903e+02 240.706 0.9697 
1 1 1 3  16 2  o 17 4.19054e+02 1.39875e+01 3.16105e+02 302.790 9.41608e+00  -1.46165e+01 0.00000e+00 0.00000e+00 3.08890e+02 302.790 7.21467e+00 122.790 0.9708 
1 1 1 3  16 3  o 6  1.36069e+02 1.21267e+01 1.66136e+02 217.300 -2.34241e+00 -1.78445e+00 0.00000e+00 0.00000e+00 2.52489e+00 217.300 1.63611e+02 37.300  0.8058 
1 1 1 3  16 4  o 4  3.95899e+02 1.41225e+01 3.39029e+02 175.003 -1.70327e+01 1.48937e+00  0.00000e+00 0.00000e+00 2.52916e+02 175.003 8.61130e+01 355.003 0.9703 
1 1 1 3  16 5  o 12 2.79091e+02 1.31099e+01 2.08872e+02 106.196 -1.91565e+00 6.59547e+00  0.00000e+00 0.00000e+00 1.89425e+02 106.196 1.94467e+01 286.196 0.9240 
1 1 1 3  16 6  o 2  4.35514e+02 1.43775e+01 3.58824e+02 59.492  9.08408e+00  1.54168e+01  0.00000e+00 0.00000e+00 2.96552e+02 59.492  6.22725e+01 239.492 0.9716 
1 1 1 3  16 7  o 8  3.82578e+02 1.44693e+01 3.09410e+02 342.856 1.61823e+01  -4.99202e+00 0.00000e+00 0.00000e+00 2.67225e+02 342.856 4.21850e+01 162.856 0.9700 
1 1 1 3  16 8  o 10 5.16559e+02 1.65085e+01 3.91641e+02 149.175 -2.88415e+01 1.72101e+01  0.00000e+00 0.00000e+00 4.01962e+02 149.175 1.03209e+01 149.175 0.9850 
1 1 1 3  16 9  o 14 4.56436e+02 1.34639e+01 4.07742e+02 214.917 -2.47772e+01 -1.72959e+01 0.00000e+00 0.00000e+00 2.95298e+02 214.917 1.12444e+02 34.917  0.9833 
1 1 1 3  16 10 o 8  2.79567e+02 1.19082e+01 2.31243e+02 306.285 6.83387e+00  -9.30822e+00 0.00000e+00 0.00000e+00 1.89273e+02 306.285 4.19694e+01 126.285 0.9557 
1 1 1 3  16 11 o 7  1.23606e+02 1.40131e+01 1.56209e+02 209.680 -3.04065e+00 -1.73294e+00 0.00000e+00 0.00000e+00 8.29436e+00 209.680 1.47915e+02 29.680  0.8411 
1 1 1 3  16 12 o 14 1.98061e+02 1.48237e+01 1.86319e+02 97.136  -1.01150e+00 8.07959e+00  0.00000e+00 0.00000e+00 1.08854e+02 97.136  7.74646e+01 277.136 0.9364 
1 1 1 3  16 13 o 8  2.09183e+02 1.59122e+01 1.23104e+02 112.861 -2.05519e+00 4.87460e+00  0.00000e+00 0.00000e+00 1.78315e+02 112.861 5.52109e+01 112.861 0.8997 
1 1 1 3  16 14 o 6  1.85411e+02 2.80692e+01 2.18055e+02 279.664 1.36205e+00  -7.99848e+00 0.00000e+00 0.00000e+00 6.18418e+01 279.664 1.56213e+02 99.664  0.9362 
1 1 1 3  16 15 o 5  6.40469e+01 2.77036e+01 7.50052e+01 282.113 2.12649e-01  -9.90819e-01 0.00000e+00 0.00000e+00 2.80740e+01 102.113 1.03079e+02 102.113 0.4511 
1 1 1 3  16 16 o 5  9.29193e+01 2.60272e+01 8.12587e+01 169.777 -1.79529e+00 3.23781e-01  0.00000e+00 0.00000e+00 2.01577e+01 169.777 6.11009e+01 349.777 0.6667 
1 1 1 3  16 17 o 8  2.01104e+02 1.95008e+01 9.43404e+01 41.925  3.28979e+00  2.95437e+00  0.00000e+00 0.00000e+00 1.97131e+02 41.925  1.02790e+02 41.925  0.8780 
1 1 1 3  16 18 o 12 1.30000e+02 4.58037e+01 1.30622e+02 186.571 -2.46890e+00 -2.84392e-01 0.00000e+00 0.00000e+00 3.46520e+01 186.571 9.59703e+01 6.571   0.7634 
1 1 1 3  16 19 o 4  2.24176e+02 2.13445e+01 1.51015e+02 324.774 6.57234e+00  -4.64072e+00 0.00000e+00 0.00000e+00 2.01569e+02 324.774 5.05539e+01 324.774 0.9356 
1 1 1 3  16 20 o 12 3.40485e+02 2.76520e+01 2.18057e+02 102.061 -3.28134e+00 1.53565e+01  0.00000e+00 0.00000e+00 3.41246e+02 102.061 1.23189e+02 102.061 0.9676 
1 1 1 3  16 21 o 14 2.67296e+02 2.48771e+01 1.90441e+02 160.823 -1.21885e+01 4.23893e+00  0.00000e+00 0.00000e+00 2.49908e+02 160.823 5.94663e+01 160.823 0.9604 
1 1 1 3  16 22 o 4  1.90457e+02 2.36954e+01 1.04442e+02 10.765  6.16234e+00  1.17165e+00  0.00000e+00 0.00000e+00 1.98198e+02 10.765  9.37562e+01 10.765  0.9164 
1 1 1 3  16 23 o 10 7.28975e+01 3.18753e+01 2.46237e+01 329.407 4.47919e-01  -2.64827e-01 0.00000e+00 0.00000e+00 7.56135e+00 329.407 1.70624e+01 149.407 0.2517 
1 1 1 3  16 24 o 12 1.90229e+02 2.87093e+01 1.38782e+02 281.316 2.13651e+00  -1.06762e+01 0.00000e+00 0.00000e+00 1.82916e+02 281.316 4.41336e+01 281.316 0.9529 
1 1 1 3  16 25 o 13 7.33204e+01 3.15664e+01 3.96198e+01 81.529  1.69390e-01  1.13740e+00  0.00000e+00 0.00000e+00 2.58543e+01 81.529  1.37656e+01 261.529 0.4970 
1 1 1 3  16 26 o 7  1.18643e+02 3.30033e+01 7.85101e+01 42.299  2.98498e+00  2.71599e+00  0.00000e+00 0.00000e+00 1.08244e+02 42.299  2.97336e+01 42.299  0.8649 
1 1 1 3  16 27 o 5  6.56103e+01 2.85058e+01 1.95684e+01 201.616 -5.93382e-01 -2.35134e-01 0.00000e+00 0.00000e+00 1.72107e+01 201.616 2.35765e+00 21.616  0.3039 
1 1 1 3  16 29 o 12 5.71810e+01 2.67155e+01 3.74840e+01 196.036 -1.45033e+00 -4.16876e-01 0.00000e+00 0.00000e+00 2.74333e+01 196.036 1.00507e+01 16.036  0.5984 
1 1 1 3  16 30 o 4  5.75454e+01 2.74248e+01 6.50655e+01 169.719 -2.90493e+00 5.26931e-01  0.00000e+00 0.00000e+00 2.42990e+01 169.719 4.07666e+01 349.719 0.8064 
1 1 1 3  16 31 o 16 6.05201e+01 2.89070e+01 1.53854e+01 273.621 4.82024e-02  -7.61610e-01 0.00000e+00 0.00000e+00 2.67774e+01 273.621 1.13920e+01 273.621 0.3562 
1 1 1 3  16 32 o 10 6.48258e+01 3.05205e+01 3.50918e+01 47.334  1.21199e+00  1.31499e+00  0.00000e+00 0.00000e+00 4.98893e+01 47.334  1.47975e+01 47.334  0.6598 
1 1 1 3  16 33 f 0  6.47275e+01 3.04878e+01 3.08338e+01 27.423  1.48689e+00  7.71482e-01  0.00000e+00 0.00000e+00 5.23841e+01 27.423  2.15504e+01 27.423  0.6365 
1 1 1 3  16 34 o 13 5.16789e+01 2.57680e+01 2.24589e+01 260.263 -2.24268e-01 -1.30693e+00 0.00000e+00 0.00000e+00 3.59382e+01 260.263 1.34793e+01 260.263 0.5501 
1 1 1 3  16 35 o 18 4.54126e+01 2.30485e+01 1.38550e+01 328.310 7.71102e-01  -4.76050e-01 0.00000e+00 0.00000e+00 2.52700e+01 328.310 1.14149e+01 328.310 0.4122 
1 1 1 3  17 0  o 7  6.86553e+02 2.32994e+01 4.12552e+02 270.000 -9.90349e-16 -1.61736e+01 0.00000e+00 0.00000e+00 6.59838e+02 270.000 2.47286e+02 270.000 1.0000 
1 1 1 3  17 1  o 7  3.45017e+02 1.14718e+01 3.06007e+02 233.657 -7.21931e+00 -9.81262e+00 0.00000e+00 0.00000e+00 2.10421e+02 233.657 9.55860e+01 53.657  0.9580 
1 1 1 3  17 2  o 16 3.48533e+01 1.33545e+01 8.94278e+01 187.034 -3.53060e-01 -4.35616e-02 0.00000e+00 0.00000e+00 7.98849e+01 7.034   1.69313e+02 7.034   0.1751 
1 1 1 3  17 3  o 11 4.80686e+02 1.53126e+01 1.71105e+02 341.680 1.12719e+01  -3.73212e+00 0.00000e+00 0.00000e+00 5.49008e+02 341.680 3.77903e+02 341.680 0.9569 
1 1 1 3  17 4  o 11 4.22496e+02 1.47474e+01 3.12924e+02 40.678  1.42872e+01  1.22795e+01  0.00000e+00 0.00000e+00 3.31848e+02 40.678  1.89235e+01 40.678  0.9731 
1 1 1 3  17 5  o 10 3.51967e+02 1.39916e+01 2.03082e+02 128.073 -7.46250e+00 9.52659e+00  0.00000e+00 0.00000e+00 3.26790e+02 128.073 1.23708e+02 128.073 0.9577 
1 1 1 3  17 6  o 12 3.18293e+02 2.44708e+01 2.84559e+02 257.957 -2.97265e+00 -1.39333e+01 0.00000e+00 0.00000e+00 1.99205e+02 257.957 8.53538e+01 77.957  0.9642 
1 1 1 3  17 7  o 19 6.14495e+02 1.56865e+01 4.24445e+02 353.793 4.71183e+01  -5.12491e+00 0.00000e+00 0.00000e+00 5.37019e+02 353.793 1.12574e+02 353.793 0.9894 
1 1 1 3  17 8  o 13 2.53642e+02 1.43426e+01 1.83986e+02 21.777  6.40697e+00  2.55962e+00  0.00000e+00 0.00000e+00 1.88204e+02 21.777  4.21783e+00 21.777  0.9244 
1 1 1 3  17 9  o 17 2.61367e+02 1.46758e+01 8.61139e+01 225.686 -2.25187e+00 -2.30646e+00 0.00000e+00 0.00000e+00 2.57745e+02 225.686 1.71631e+02 225.686 0.8252 
1 1 1 3  17 10 o 17 3.82481e+02 3.25585e+01 3.43559e+02 151.996 -1.83316e+01 9.74858e+00  0.00000e+00 0.00000e+00 2.54189e+02 151.996 8.93697e+01 331.996 0.9756 
1 1 1 3  17 11 o 17 5.75431e+01 1.71135e+01 9.69313e+01 282.919 2.67196e-01  -1.16489e+00 0.00000e+00 0.00000e+00 4.95531e+01 102.919 1.46484e+02 102.919 0.5113 
1 1 1 3  17 12 o 1  9.12823e+01 1.86365e+01 3.32341e+01 340.982 6.36767e-01  -2.19480e-01 0.00000e+00 0.00000e+00 1.39329e+01 340.982 1.93012e+01 160.982 0.3190 
1 1 1 3  17 13 o 1  1.47760e+02 3.01454e+01 1.97381e+02 43.152  4.25617e+00  3.99012e+00  0.00000e+00 0.00000e+00 2.17193e+01 43.152  1.75661e+02 223.152 0.9097 
1 1 1 3  17 14 o 19 2.63056e+02 2.18259e+01 1.69453e+02 286.323 2.76783e+00  -9.45132e+00 0.00000e+00 0.00000e+00 2.39715e+02 286.323 7.02618e+01 286.323 0.9478 
1 1 1 3  17 15 o 18 1.11669e+02 3.61665e+01 6.22734e+01 136.133 -1.02928e+00 9.89353e-01  0.00000e+00 0.00000e+00 4.43823e+01 136.133 1.78912e+01 316.133 0.5777 
1 1 1 3  17 16 o 8  1.55215e+02 2.31676e+01 1.94254e+02 75.120  1.75317e+00  6.59825e+00  0.00000e+00 0.00000e+00 4.45885e+01 75.120  1.49665e+02 255.120 0.9235 
1 1 1 3  17 17 f 0  1.76497e+02 1.99953e+01 1.17574e+02 172.029 -3.80693e+00 5.33096e-01  0.00000e+00 0.00000e+00 1.36624e+02 172.029 1.90502e+01 172.029 0.8572 
1 1 1 3  17 19 o 5  2.69997e+02 4.29753e+01 2.90057e+02 6.692   1.38340e+01  1.62318e+00  0.00000e+00 0.00000e+00 1.54966e+02 6.692   1.35091e+02 186.692 0.9634 
1 1 1 3  17 20 o 17 1.62718e+02 2.66181e+01 1.38448e+02 111.142 -2.03662e+00 5.26666e+00  0.00000e+00 0.00000e+00 1.16404e+02 111.142 2.20445e+01 291.142 0.9065 
1 1 1 3  17 21 o 18 5.38958e+01 2.47478e+01 7.99145e+01 83.211  1.59801e-01  1.34224e+00  0.00000e+00 0.00000e+00 2.74812e+01 263.211 1.07396e+02 263.211 0.5573 
1 1 1 3  17 22 o 15 6.94303e+01 2.90349e+01 5.98669e+01 335.441 1.15673e+00  -5.28586e-01 0.00000e+00 0.00000e+00 5.61871e+00 335.441 5.42482e+01 155.441 0.5345 
1 1 1 3  17 23 o 10 2.20860e+02 2.67167e+01 1.78362e+02 254.800 -3.68923e+00 -1.35783e+01 0.00000e+00 0.00000e+00 2.01575e+02 254.800 2.32125e+01 254.800 0.9638 
1 1 1 3  17 24 o 11 1.02134e+02 3.43235e+01 6.75910e+01 41.373  1.94015e+00  1.70885e+00  0.00000e+00 0.00000e+00 7.51861e+01 41.373  7.59508e+00 41.373  0.7740 
1 1 1 3  17 25 o 14 5.50591e+01 2.56803e+01 2.51350e+01 19.043  6.76960e-01  2.33660e-01  0.00000e+00 0.00000e+00 8.78744e+00 19.043  1.63476e+01 199.043 0.3369 
1 1 1 3  17 26 o 14 5.74886e+01 2.66792e+01 2.11774e+01 302.581 3.71902e-01  -5.81950e-01 0.00000e+00 0.00000e+00 1.35630e+01 302.581 7.61444e+00 122.581 0.3262 
1 1 1 3  17 27 o 16 7.72055e+01 3.27020e+01 3.04156e+01 345.990 1.17825e+00  -2.93991e-01 0.00000e+00 0.00000e+00 4.45452e+01 345.990 1.41296e+01 345.990 0.5172 
1 1 1 3  17 28 o 12 6.03880e+01 2.95435e+01 2.95063e+01 326.892 9.14484e-01  -5.96316e-01 0.00000e+00 0.00000e+00 2.54319e+01 326.892 4.07439e+00 146.892 0.4780 
1 1 1 3  17 29 o 8  7.01499e+01 3.02425e+01 3.21669e+01 75.987  3.74237e-01  1.49953e+00  0.00000e+00 0.00000e+00 5.00827e+01 75.987  1.79158e+01 75.987  0.6072 
1 1 1 3  17 30 o 15 6.34607e+01 2.93419e+01 9.43677e+01 170.202 -4.71338e+00 8.13952e-01  0.00000e+00 0.00000e+00 1.60939e+01 170.202 7.82738e+01 350.202 0.8881 
1 1 1 3  17 31 o 2  6.67435e+01 3.07306e+01 2.72917e+01 52.874  8.32888e-01  1.10025e+00  0.00000e+00 0.00000e+00 4.77671e+01 52.874  2.04755e+01 52.874  0.5650 
1 1 1 3  17 32 o 5  5.88930e+01 2.84256e+01 2.56668e+01 21.757  1.33050e+00  5.31013e-01  0.00000e+00 0.00000e+00 4.32901e+01 21.757  1.76232e+01 21.757  0.5790 
1 1 1 3  17 33 o 15 5.15177e+01 2.57185e+01 1.79212e+01 229.287 -6.65102e-01 -7.72897e-01 0.00000e+00 0.00000e+00 3.00856e+01 229.287 1.21644e+01 229.287 0.4533 
1 1 1 3  17 34 o 16 5.06771e+01 2.53835e+01 1.89577e+01 318.753 8.83212e-01  -7.74487e-01 0.00000e+00 0.00000e+00 3.45326e+01 318.753 1.55748e+01 318.753 0.5049 
1 1 1 3  17 35 o 6  5.01820e+01 2.52480e+01 1.93309e+01 285.825 3.36538e-01  -1.18731e+00 0.00000e+00 0.00000e+00 3.65245e+01 285.825 1.71935e+01 285.825 0.5232 
1 1 1 3  18 0  o 8  4.76654e+01 2.30708e+01 6.26412e+01 270.000 -1.49888e-17 -2.44786e-01 0.00000e+00 0.00000e+00 4.44350e+01 90.000  1.07076e+02 90.000  0.2400 
1 1 1 3  18 1  o 10 3.63407e+02 1.73818e+01 1.97377e+02 260.961 -1.83544e+00 -1.15382e+01 0.00000e+00 0.00000e+00 3.55760e+02 260.961 1.58382e+02 260.961 0.9562 
1 1 1 3  18 2  o 12 2.13929e+02 1.29722e+01 2.06112e+02 138.654 -6.18846e+00 5.44544e+00  0.00000e+00 0.00000e+00 1.13286e+02 138.654 9.28267e+01 318.654 0.9372 
1 1 1 3  18 3  o 6  1.83527e+02 1.10099e+01 1.20399e+02 163.167 -3.94327e+00 1.19301e+00  0.00000e+00 0.00000e+00 1.33683e+02 163.167 1.32840e+01 163.167 0.8680 
1 1 1 3  18 4  o 15 2.88659e+02 1.38680e+01 1.16222e+02 285.405 1.62253e+00  -5.88847e+00 0.00000e+00 0.00000e+00 3.05348e+02 285.405 1.89126e+02 285.405 0.9140 
1 1 1 3  18 5  f 0  1.61914e+02 1.58935e+01 2.03761e+02 0.338   4.87791e+00  2.87778e-02  0.00000e+00 0.00000e+00 2.71402e+01 0.338   1.76621e+02 180.338 0.8905 
1 1 1 3  18 6  o 12 3.43558e+02 1.21540e+01 1.92743e+02 46.905  6.63875e+00  7.09562e+00  0.00000e+00 0.00000e+00 3.29775e+02 46.905  1.37033e+02 46.905  0.9471 
1 1 1 3  18 7  o 15 1.41262e+02 2.58618e+01 2.01815e+02 186.103 -4.82717e+00 -5.16146e-01 0.00000e+00 0.00000e+00 7.27439e-01 186.103 2.01088e+02 6.103   0.8899 
1 1 1 3  18 8  o 13 3.39678e+02 2.03371e+01 2.13055e+02 219.441 -1.21283e+01 -9.97675e+00 0.00000e+00 0.00000e+00 3.18520e+02 219.441 1.05464e+02 219.441 0.9676 
1 1 1 3  18 9  o 7  1.93962e+02 1.57990e+01 1.29303e+02 329.166 4.68284e+00  -2.79529e+00 0.00000e+00 0.00000e+00 1.55162e+02 329.166 2.58583e+01 329.166 0.9029 
1 1 1 3  18 10 o 1  1.58383e+02 2.13438e+01 1.07163e+02 206.369 -3.02441e+00 -1.49929e+00 0.00000e+00 0.00000e+00 1.08504e+02 206.369 1.34025e+00 206.369 0.8343 
1 1 1 3  18 11 o 7  7.93563e+01 2.63107e+01 1.91497e+02 93.040  -1.69895e-01 3.19929e+00  0.00000e+00 0.00000e+00 8.42118e+01 273.040 2.75708e+02 273.040 0.8240 
1 1 1 3  18 12 o 5  7.90623e+01 2.77526e+01 6.84320e+01 83.601  1.29110e-01  1.15128e+00  0.00000e+00 0.00000e+00 3.22943e+00 263.601 7.16614e+01 263.601 0.4997 
1 1 1 3  18 13 o 8  1.07697e+02 3.08335e+01 1.07742e+02 307.121 1.63792e+00  -2.16407e+00 0.00000e+00 0.00000e+00 3.29076e+01 307.121 7.48348e+01 127.121 0.7864 
1 1 1 3  18 14 o 18 1.30140e+02 1.92130e+01 9.90968e+01 292.197 1.18239e+00  -2.89786e+00 0.00000e+00 0.00000e+00 7.91487e+01 292.197 1.99481e+01 112.197 0.8191 
1 1 1 3  18 15 o 11 8.91534e+01 3.84141e+01 1.99164e+02 196.247 -3.46238e+00 -1.00901e+00 0.00000e+00 0.00000e+00 7.20549e+01 16.247  2.71219e+02 16.247  0.8465 
1 1 1 3  18 16 o 12 8.78215e+01 3.48370e+01 3.17631e+01 148.752 -3.91527e-01 2.37569e-01  0.00000e+00 0.00000e+00 1.50893e+00 148.752 3.02542e+01 328.752 0.2232 
1 1 1 3  18 17 o 2  8.62984e+01 2.65051e+01 7.39206e+01 247.863 -5.47748e-01 -1.34646e+00 0.00000e+00 0.00000e+00 1.24146e+01 247.863 6.15060e+01 67.863  0.5845 
1 1 1 3  18 18 o 16 1.16901e+02 2.70338e+01 7.58088e+01 334.838 1.72408e+00  -8.09901e-01 0.00000e+00 0.00000e+00 6.17723e+01 334.838 1.40365e+01 154.838 0.6815 
1 1 1 3  18 19 o 4  2.11460e+02 2.44011e+01 1.37888e+02 86.957  3.99703e-01  7.52005e+00  0.00000e+00 0.00000e+00 2.05280e+02 86.957  6.73915e+01 86.957  0.9310 
1 1 1 3  18 20 o 1  1.11523e+02 3.06704e+01 1.17998e+02 202.833 -3.50959e+00 -1.47767e+00 0.00000e+00 0.00000e+00 4.99923e+01 202.833 6.80054e+01 22.833  0.8557 
1 1 1 3  18 21 o 8  1.43157e+02 2.70670e+01 9.50469e+01 334.302 3.89315e+00  -1.87350e+00 0.00000e+00 0.00000e+00 1.27697e+02 334.302 3.26499e+01 334.302 0.8748 
1 1 1 3  18 22 o 2  7.61525e+01 3.07813e+01 3.14790e+01 340.249 7.54869e-01  -2.71033e-01 0.00000e+00 0.00000e+00 1.94413e+01 340.249 1.20377e+01 160.250 0.3719 
1 1 1 3  18 23 o 13 8.48438e+01 3.23661e+01 7.67060e+01 221.740 -1.93333e+00 -1.72495e+00 0.00000e+00 0.00000e+00 4.27984e+01 221.740 3.39076e+01 41.740  0.7745 
1 1 1 3  18 24 o 18 1.05334e+02 3.43516e+01 8.56495e+01 60.510  1.85295e+00  3.27638e+00  0.00000e+00 0.00000e+00 7.98457e+01 60.510  5.80380e+00 240.510 0.8538 
1 1 1 3  18 25 o 5  6.40000e+01 2.80298e+01 6.20591e+01 0.926   2.11567e+00  3.42130e-02  0.00000e+00 0.00000e+00 2.33059e+01 0.926   3.87532e+01 180.926 0.7159 
1 1 1 3  18 26 o 18 6.52033e+01 2.80568e+01 7.50868e+01 213.190 -2.13153e+00 -1.39432e+00 0.00000e+00 0.00000e+00 1.96654e+01 213.190 5.54213e+01 33.190  0.7700 
1 1 1 3  18 27 o 12 8.77867e+01 3.34881e+01 5.75816e+01 213.037 -2.27656e+00 -1.48053e+00 0.00000e+00 0.00000e+00 7.44802e+01 213.037 1.68986e+01 213.037 0.7866 
1 1 1 3  18 28 o 19 4.78805e+01 2.31449e+01 4.39857e+01 7.278   1.81656e+00  2.31995e-01  0.00000e+00 0.00000e+00 1.80444e+01 7.278   2.59413e+01 187.278 0.6680 
1 1 1 3  18 29 o 13 8.67382e+01 4.02407e+01 7.23543e+01 143.974 -2.48272e+00 1.80554e+00  0.00000e+00 0.00000e+00 6.67261e+01 143.974 5.62826e+00 323.974 0.8150 
1 1 1 3  18 30 o 14 6.48700e+01 2.96973e+01 3.76801e+01 359.245 1.90993e+00  -2.51713e-02 0.00000e+00 0.00000e+00 5.07215e+01 359.245 1.30414e+01 359.245 0.6824 
1 1 1 3  18 31 o 6  4.92648e+01 2.43253e+01 4.23656e+01 37.994  1.85356e+00  1.44783e+00  0.00000e+00 0.00000e+00 3.23492e+01 37.994  1.00164e+01 217.994 0.7479 
1 1 1 3  18 32 o 8  4.91659e+01 2.44423e+01 1.58018e+01 199.568 -8.42865e-01 -2.99608e-01 0.00000e+00 0.00000e+00 2.55043e+01 199.568 9.70250e+00 199.568 0.4078 
1 1 1 3  18 33 o 17 5.29136e+01 2.61629e+01 2.92032e+01 286.785 4.91686e-01  -1.63012e+00 0.00000e+00 0.00000e+00 4.19861e+01 286.785 1.27829e+01 286.785 0.6424 
1 1 1 3  18 34 o 2  4.93564e+01 2.48683e+01 2.19460e+01 242.336 -6.41377e-01 -1.22349e+00 0.00000e+00 0.00000e+00 3.74970e+01 242.336 1.55510e+01 242.336 0.5654 
1 1 1 3  19 0  o 2  1.76712e+02 1.74926e+01 2.07175e+01 270.000 2.99087e-08  -3.42116e-01 0.00000e+00 0.00000e+00 7.37523e+01 270.000 5.30347e+01 270.000 0.3294 
1 1 1 3  19 1  o 13 1.73247e+02 1.16003e+01 1.23980e+02 98.711  -6.08613e-01 3.97219e+00  0.00000e+00 0.00000e+00 1.19104e+02 98.711  4.87598e+00 278.711 0.8642 
1 1 1 3  19 2  o 11 7.57410e+01 1.78997e+01 9.16951e+01 319.444 9.55207e-01  -8.17453e-01 0.00000e+00 0.00000e+00 2.64540e+01 139.444 1.18149e+02 139.444 0.5302 
1 1 1 3  19 3  o 9  1.29709e+02 1.59148e+01 1.79993e+02 92.165  -1.59905e-01 4.22924e+00  0.00000e+00 0.00000e+00 3.98725e+00 92.165  1.76006e+02 272.165 0.8719 
1 1 1 3  19 4  o 18 1.56747e+02 1.13238e+01 1.26518e+02 177.198 -3.61472e+00 1.76944e-01  0.00000e+00 0.00000e+00 8.98680e+01 177.198 3.66505e+01 357.198 0.8471 
1 1 1 3  19 5  o 11 3.76146e+02 1.72632e+01 2.08030e+02 275.421 1.64085e+00  -1.72920e+01 0.00000e+00 0.00000e+00 3.88405e+02 275.421 1.80375e+02 275.421 0.9708 
1 1 1 3  19 6  o 10 2.23109e+02 3.64163e+01 2.28518e+02 323.181 7.52216e+00  -5.63111e+00 0.00000e+00 0.00000e+00 1.16886e+02 323.181 1.11632e+02 143.181 0.9452 
1 1 1 3  19 7  o 13 1.83201e+02 1.19638e+01 1.16455e+02 65.701  1.87903e+00  4.16175e+00  0.00000e+00 0.00000e+00 1.49148e+02 65.701  3.26933e+01 65.701  0.8822 
1 1 1 3  19 8  o 14 3.40311e+02 3.42268e+01 3.63818e+02 195.255 -2.32632e+01 -6.34446e+00 0.00000e+00 0.00000e+00 1.85768e+02 195.255 1.78051e+02 15.255  0.9790 
1 1 1 3  19 9  o 8  1.43351e+02 1.81212e+01 6.19221e+01 25.763  1.80620e+00  8.71713e-01  0.00000e+00 0.00000e+00 1.04000e+02 25.763  4.20777e+01 25.763  0.6987 
1 1 1 3  19 10 o 13 1.22396e+02 2.17405e+01 2.35988e+02 16.238  6.32528e+00  1.84224e+00  0.00000e+00 0.00000e+00 4.84230e+01 196.238 2.84411e+02 196.238 0.9206 
1 1 1 3  19 11 o 13 1.11226e+02 2.54472e+01 7.11093e+01 201.852 -1.84819e+00 -7.41157e-01 0.00000e+00 0.00000e+00 5.84971e+01 201.852 1.26122e+01 21.852  0.6963 
1 1 1 3  19 12 o 14 6.93361e+01 1.88984e+01 5.97417e+01 331.070 8.98717e-01  -4.96728e-01 0.00000e+00 0.00000e+00 6.54586e+00 151.070 6.62876e+01 151.070 0.4558 
1 1 1 3  19 13 o 9  6.70521e+01 2.03644e+01 1.87915e+01 145.913 -2.46546e-01 1.66842e-01  0.00000e+00 0.00000e+00 2.07123e+00 325.913 2.08627e+01 325.913 0.1472 
1 1 1 3  19 15 o 4  1.08678e+02 4.15891e+01 1.85324e+02 21.953  3.07942e+00  1.24125e+00  0.00000e+00 0.00000e+00 3.01561e+01 201.953 2.15480e+02 201.953 0.8311 
1 1 1 3  19 16 o 4  2.39423e+02 2.83168e+01 2.54256e+02 284.116 3.08562e+00  -1.22696e+01 0.00000e+00 0.00000e+00 1.43535e+02 284.116 1.10721e+02 104.116 0.9596 
1 1 1 3  19 17 o 5  8.53343e+01 2.61425e+01 6.99621e+01 234.558 -7.50700e-01 -1.05471e+00 0.00000e+00 0.00000e+00 1.06512e+01 234.558 5.93109e+01 54.558  0.5411 
1 1 1 3  19 18 o 4  1.41827e+02 4.87899e+01 1.98611e+02 69.672  1.80001e+00  4.85882e+00  0.00000e+00 0.00000e+00 2.55674e+01 69.672  1.73043e+02 249.672 0.8974 
1 1 1 3  19 19 o 16 2.26858e+02 4.87250e+01 1.61517e+02 97.351  -9.92719e-01 7.69480e+00  0.00000e+00 0.00000e+00 2.14827e+02 97.351  5.33103e+01 97.351  0.9331 
1 1 1 3  19 20 o 13 8.01221e+01 3.01310e+01 1.56718e+02 250.477 -1.27401e+00 -3.59317e+00 0.00000e+00 0.00000e+00 3.35967e+01 70.477  1.90314e+02 70.477  0.8559 
1 1 1 3  19 21 o 3  8.85353e+01 2.90194e+01 1.31931e+02 303.874 2.25957e+00  -3.36595e+00 0.00000e+00 0.00000e+00 7.08571e+00 303.874 1.24845e+02 123.874 0.8656 
1 1 1 3  19 22 o 9  6.81407e+01 2.90583e+01 2.57965e+01 19.925  7.13214e-01  2.58533e-01  0.00000e+00 0.00000e+00 1.84895e+01 19.925  7.30696e+00 199.925 0.3544 
1 1 1 3  19 23 o 17 7.06739e+01 2.95529e+01 4.16843e+01 52.881  8.44278e-01  1.11559e+00  0.00000e+00 0.00000e+00 3.30548e+01 52.881  8.62947e+00 232.881 0.5702 
1 1 1 3  19 24 o 11 7.81432e+01 3.11629e+01 1.16786e+01 69.316  1.57854e-01  4.18098e-01  0.00000e+00 0.00000e+00 2.03020e+01 69.316  8.62335e+00 69.316  0.2181 
1 1 1 3  19 25 o 7  7.63002e+01 3.05842e+01 4.92780e+01 342.011 1.74251e+00  -5.65816e-01 0.00000e+00 0.00000e+00 4.75982e+01 342.011 1.67984e+00 162.011 0.6682 
1 1 1 3  19 26 o 14 6.89849e+01 2.85548e+01 1.02932e+01 196.603 -4.20133e-01 -1.25274e-01 0.00000e+00 0.00000e+00 1.81358e+01 196.603 7.84253e+00 196.603 0.2141 
1 1 1 3  19 27 o 18 5.55201e+01 2.58274e+01 2.68443e+01 230.249 -7.49233e-01 -9.00808e-01 0.00000e+00 0.00000e+00 2.77314e+01 230.249 8.87133e-01 230.249 0.5039 
1 1 1 3  19 28 o 14 6.89183e+01 3.01872e+01 6.19906e+01 122.377 -1.69971e+00 2.68074e+00  0.00000e+00 0.00000e+00 5.00721e+01 122.377 1.19185e+01 302.377 0.8221 
1 1 1 3  19 29 o 7  6.36429e+01 3.14328e+01 2.08954e+01 356.409 9.58748e-01  -6.01723e-02 0.00000e+00 0.00000e+00 3.43070e+01 356.409 1.34116e+01 356.409 0.4323 
1 1 1 3  19 30 o 17 6.16751e+01 2.89278e+01 3.33105e+01 10.462  1.69813e+00  3.13552e-01  0.00000e+00 0.00000e+00 4.80118e+01 10.462  1.47013e+01 10.462  0.6474 
1 1 1 3  19 31 o 2  5.50091e+01 2.66000e+01 2.23449e+01 246.200 -5.07439e-01 -1.15052e+00 0.00000e+00 0.00000e+00 3.79786e+01 246.200 1.56337e+01 246.200 0.5302 
1 1 1 3  19 32 o 16 5.47304e+01 2.67270e+01 2.16879e+01 243.936 -5.60031e-01 -1.14498e+00 0.00000e+00 0.00000e+00 3.98736e+01 243.936 1.81856e+01 243.936 0.5353 
1 1 1 3  19 33 o 18 5.42774e+01 2.66879e+01 8.95485e+00 325.627 4.42838e-01  -3.02912e-01 0.00000e+00 0.00000e+00 2.10798e+01 325.627 1.21249e+01 325.627 0.2591 
1 1 1 3  19 34 f 0  6.20042e+01 3.00500e+01 2.44880e+01 297.526 6.45772e-01  -1.23915e+00 0.00000e+00 0.00000e+00 5.22529e+01 297.526 2.77649e+01 297.526 0.5697 
1 1 1 3  20 0  o 11 1.89209e+02 3.41539e+01 1.88336e+02 270.000 -2.19699e-16 -3.58795e+00 0.00000e+00 0.00000e+00 1.24746e+02 270.000 6.35909e+01 90.000  0.9985 
1 1 1 3  20 1  f 0  2.18569e+02 2.05876e+01 1.67044e+02 131.776 -5.02457e+00 5.62433e+00  0.00000e+00 0.00000e+00 1.70310e+02 131.776 3.26615e+00 131.776 0.9311 
1 1 1 3  20 2  o 11 7.83374e+01 1.83805e+01 4.85561e+01 328.233 6.74944e-01  -4.17942e-01 0.00000e+00 0.00000e+00 6.51626e-01 148.233 4.92077e+01 148.233 0.3686 
1 1 1 3  20 3  o 18 9.10531e+01 2.16980e+01 9.15894e+01 6.147   1.67921e+00  1.80855e-01  0.00000e+00 0.00000e+00 5.12505e+00 6.147   8.64644e+01 186.147 0.6395 
1 1 1 3  20 4  o 2  6.13184e+01 1.69072e+01 1.62447e+02 61.627  1.08874e+00  2.01589e+00  0.00000e+00 0.00000e+00 8.69220e+01 241.627 2.49369e+02 241.627 0.7402 
1 1 1 3  20 5  o 10 1.00957e+02 2.14721e+01 1.19589e+02 204.725 -2.40973e+00 -1.10963e+00 0.00000e+00 0.00000e+00 1.18473e+01 204.725 1.07741e+02 24.725  0.7807 
1 1 1 3  20 6  o 19 7.13935e+01 2.86931e+01 2.44403e+01 269.742 -1.63662e-03 -3.63295e-01 0.00000e+00 0.00000e+00 3.10264e+00 89.742  2.75430e+01 89.742  0.1787 
1 1 1 3  20 7  o 7  1.74032e+02 1.88298e+01 1.52266e+02 141.729 -4.63362e+00 3.65562e+00  0.00000e+00 0.00000e+00 1.13685e+02 141.729 3.85814e+01 321.729 0.9108 
1 1 1 3  20 8  o 15 5.65394e+01 1.56988e+01 6.41416e+01 193.214 -8.38542e-01 -1.96900e-01 0.00000e+00 0.00000e+00 2.65178e+01 13.214  9.06594e+01 13.214  0.3951 
1 1 1 3  20 9  o 14 9.86118e+01 1.46722e+01 8.00888e+01 349.043 2.15244e+00  -4.16705e-01 0.00000e+00 0.00000e+00 4.11655e+01 349.043 3.89232e+01 169.043 0.7270 
1 1 1 3  20 10 o 2  6.15354e+01 2.30125e+01 7.95522e+01 159.413 -1.10356e+00 4.14525e-01  0.00000e+00 0.00000e+00 2.66148e+01 339.413 1.06167e+02 339.413 0.5062 
1 1 1 3  20 11 o 19 1.18080e+02 3.19929e+01 1.26707e+02 155.365 -2.89059e+00 1.32554e+00  0.00000e+00 0.00000e+00 3.92223e+01 155.365 8.74848e+01 335.365 0.8225 
1 1 1 3  20 12 o 5  6.26710e+01 2.77214e+01 1.93997e+02 327.833 2.39245e+00  -1.50469e+00 0.00000e+00 0.00000e+00 1.08238e+02 147.833 3.02235e+02 147.833 0.7963 
1 1 1 3  20 14 o 10 1.43682e+02 4.25011e+01 1.41219e+02 188.148 -3.81166e+00 -5.45727e-01 0.00000e+00 0.00000e+00 7.33129e+01 188.148 6.79057e+01 8.148   0.8575 
1 1 1 3  20 15 o 9  1.33864e+02 2.05403e+01 7.19193e+01 77.403  4.65911e-01  2.08492e+00  0.00000e+00 0.00000e+00 9.68837e+01 77.403  2.49644e+01 77.403  0.7189 
1 1 1 3  20 16 o 12 9.77209e+01 3.71669e+01 9.00734e+01 52.402  1.03877e+00  1.34899e+00  0.00000e+00 0.00000e+00 2.08932e+01 52.402  6.91802e+01 232.402 0.6424 
1 1 1 3  20 17 o 17 7.35272e+01 2.53809e+01 7.05756e+01 243.802 -6.72325e-01 -1.36648e+00 0.00000e+00 0.00000e+00 8.29122e+00 243.802 6.22843e+01 63.802  0.6017 
1 1 1 3  20 18 o 1  1.26404e+02 2.68348e+01 1.04104e+02 312.871 2.75264e+00  -2.96520e+00 0.00000e+00 0.00000e+00 9.25824e+01 312.871 1.15218e+01 132.871 0.8653 
1 1 1 3  20 19 o 13 9.45050e+01 2.89160e+01 1.09085e+02 185.979 -3.17861e+00 -3.32923e-01 0.00000e+00 0.00000e+00 3.21791e+01 185.979 7.69057e+01 5.979   0.8235 
1 1 1 3  20 20 o 4  6.82090e+01 2.81821e+01 6.21322e+01 205.525 -1.35068e+00 -6.44956e-01 0.00000e+00 0.00000e+00 1.23049e+01 205.525 4.98273e+01 25.525  0.5953 
1 1 1 3  20 21 o 13 7.56561e+01 2.83467e+01 6.86748e+01 343.582 2.19121e+00  -6.45648e-01 0.00000e+00 0.00000e+00 3.49294e+01 343.582 3.37454e+01 163.582 0.7394 
1 1 1 3  20 22 o 4  7.30012e+01 2.98918e+01 2.50829e+01 58.064  4.56884e-01  7.32988e-01  0.00000e+00 0.00000e+00 2.90477e+01 58.064  3.96474e+00 58.064  0.3960 
1 1 1 3  20 23 o 11 8.14850e+01 3.15646e+01 8.40909e+01 55.125  1.90003e+00  2.72611e+00  0.00000e+00 0.00000e+00 4.41853e+01 55.125  3.99055e+01 235.124 0.8313 
1 1 1 3  20 24 f 0  5.33239e+01 2.50069e+01 7.75577e+01 316.020 1.62915e+00  -1.57217e+00 0.00000e+00 0.00000e+00 2.27810e+00 136.020 7.98358e+01 136.020 0.7367 
1 1 1 3  20 25 o 4  7.07628e+01 2.89346e+01 7.46215e+01 198.331 -3.06256e+00 -1.01468e+00 0.00000e+00 0.00000e+00 3.86986e+01 198.331 3.59229e+01 18.331  0.8254 
1 1 1 3  20 26 o 19 7.45121e+01 3.12947e+01 1.60728e+01 334.711 6.44405e-01  -3.04462e-01 0.00000e+00 0.00000e+00 3.30543e+01 334.711 1.69814e+01 334.711 0.3355 
1 1 1 3  20 27 f 0  7.76173e+01 3.20611e+01 6.39561e+01 38.258  2.51836e+00  1.98588e+00  0.00000e+00 0.00000e+00 6.34569e+01 38.258  4.99199e-01 218.258 0.8242 
1 1 1 3  20 28 o 19 6.61147e+01 2.92245e+01 5.88132e+01 172.970 -3.01609e+00 3.71906e-01  0.00000e+00 0.00000e+00 4.97135e+01 172.970 9.09978e+00 352.970 0.8128 
1 1 1 3  20 29 o 7  6.64141e+01 3.27175e+01 2.40414e+01 329.360 9.45596e-01  -5.60122e-01 0.00000e+00 0.00000e+00 4.13220e+01 329.360 1.72806e+01 329.360 0.4804 
1 1 1 3  20 30 o 10 5.41058e+01 2.61612e+01 1.95869e+01 174.250 -1.11727e+00 1.12493e-01  0.00000e+00 0.00000e+00 3.53461e+01 174.250 1.57593e+01 174.250 0.4883 
1 1 1 3  20 31 o 9  6.16151e+01 2.91571e+01 3.50633e+01 186.735 -1.92042e+00 -2.26777e-01 0.00000e+00 0.00000e+00 5.42700e+01 186.735 1.92066e+01 186.735 0.6866 
1 1 1 3  20 32 o 11 5.86332e+01 2.82774e+01 2.33579e+01 300.198 6.90166e-01  -1.18593e+00 0.00000e+00 0.00000e+00 4.74532e+01 300.198 2.40953e+01 300.198 0.5629 
1 1 1 3  20 33 o 17 4.76504e+01 2.39103e+01 7.17073e+00 297.277 2.14994e-01  -4.16958e-01 0.00000e+00 0.00000e+00 1.65588e+01 297.277 9.38806e+00 297.277 0.2283 
1 1 1 3  21 0  o 5  7.81075e+01 4.31313e+01 2.54028e+02 90.000  1.23264e-16  2.01305e+00  0.00000e+00 0.00000e+00 1.26365e+02 270.000 3.80393e+02 270.000 0.9649 
1 1 1 3  21 1  o 16 9.36481e+01 2.00810e+01 1.66808e+02 185.006 -3.46742e+00 -3.03745e-01 0.00000e+00 0.00000e+00 3.35144e+01 5.006   2.00322e+02 5.006   0.8401 
1 1 1 3  21 2  o 14 1.66342e+02 1.30720e+01 2.10512e+02 196.358 -7.79769e+00 -2.28877e+00 0.00000e+00 0.00000e+00 5.35601e+01 196.358 1.56952e+02 16.358  0.9363 
1 1 1 3  21 3  o 5  2.58645e+02 3.26271e+01 2.86225e+02 312.614 1.03900e+01  -1.12934e+01 0.00000e+00 0.00000e+00 1.38318e+02 312.614 1.47906e+02 132.614 0.9668 
1 1 1 3  21 4  o 3  1.75769e+02 1.90037e+01 1.21639e+02 348.894 4.91792e+00  -9.65375e-01 0.00000e+00 0.00000e+00 1.45500e+02 348.894 2.38610e+01 348.894 0.8937 
1 1 1 3  21 5  o 10 7.55934e+01 2.36090e+01 1.20486e+02 41.750  1.77791e+00  1.58685e+00  0.00000e+00 0.00000e+00 2.36326e+01 221.750 1.44119e+02 221.750 0.7517 
1 1 1 3  21 6  o 8  1.28059e+02 1.90917e+01 9.67700e+01 243.090 -1.51259e+00 -2.98023e+00 0.00000e+00 0.00000e+00 8.54364e+01 243.090 1.13336e+01 63.090  0.8324 
1 1 1 3  21 7  o 2  7.40458e+01 1.64068e+01 8.80839e+01 135.140 -1.19181e+00 1.18600e+00  0.00000e+00 0.00000e+00 7.08515e+00 315.140 9.51690e+01 315.140 0.6379 
1 1 1 3  21 8  o 9  1.24477e+02 1.38292e+01 8.95007e+01 359.799 2.84806e+00  -9.98405e-03 0.00000e+00 0.00000e+00 8.15109e+01 359.799 7.98979e+00 179.799 0.7981 
1 1 1 3  21 9  o 15 1.06005e+02 1.54786e+01 9.59763e+01 200.980 -2.35541e+00 -9.03227e-01 0.00000e+00 0.00000e+00 4.46655e+01 200.980 5.13108e+01 20.980  0.7674 
1 1 1 3  21 10 o 15 1.56144e+02 2.07028e+01 1.47540e+02 237.127 -3.13290e+00 -4.84779e+00 0.00000e+00 0.00000e+00 9.89238e+01 237.127 4.86164e+01 57.127  0.9087 
1 1 1 3  21 11 o 12 1.02211e+02 2.94206e+01 1.49656e+02 88.288  8.05463e-02  2.69473e+00  0.00000e+00 0.00000e+00 9.58700e+00 268.288 1.59243e+02 268.288 0.7847 
1 1 1 3  21 12 o 2  5.24838e+01 2.41749e+01 1.08297e+02 101.196 -2.65588e-01 1.34185e+00  0.00000e+00 0.00000e+00 5.65127e+01 281.196 1.64810e+02 281.196 0.5617 
1 1 1 3  21 13 o 7  1.59918e+02 1.87181e+01 4.81522e+01 285.553 4.72557e-01  -1.69787e+00 0.00000e+00 0.00000e+00 1.36893e+02 285.553 8.87413e+01 285.553 0.6546 
1 1 1 3  21 14 o 18 1.28195e+02 4.37365e+01 2.29792e+02 327.786 4.42154e+00  -2.78586e+00 0.00000e+00 0.00000e+00 2.48336e+01 147.786 2.54625e+02 147.786 0.8984 
1 1 1 3  21 15 o 18 6.61525e+01 2.14892e+01 2.69775e+01 278.708 7.36364e-02  -4.80746e-01 0.00000e+00 0.00000e+00 1.04127e+00 278.708 2.59363e+01 98.708  0.2363 
1 1 1 3  21 16 o 14 9.64633e+01 4.11123e+01 2.12461e+02 164.711 -4.52666e+00 1.23741e+00  0.00000e+00 0.00000e+00 5.80864e+01 344.711 2.70547e+02 344.711 0.8857 
1 1 1 3  21 17 o 18 7.37591e+01 3.30971e+01 1.16688e+02 16.042  2.56974e+00  7.38904e-01  0.00000e+00 0.00000e+00 1.15137e+01 196.042 1.28202e+02 196.042 0.7827 
1 1 1 3  21 18 o 8  1.30924e+02 2.47871e+01 2.89213e+01 4.778   1.39895e+00  1.16937e-01  0.00000e+00 0.00000e+00 1.08594e+02 4.778   7.96725e+01 4.778   0.5714 
1 1 1 3  21 19 o 3  6.29875e+01 2.55703e+01 8.73498e+01 269.261 -3.19229e-02 -2.47437e+00 0.00000e+00 0.00000e+00 1.72088e+00 269.261 8.56289e+01 89.261  0.7622 
1 1 1 3  21 20 o 13 4.82006e+01 2.26180e+01 1.88540e+01 70.875  1.46940e-01  4.23729e-01  0.00000e+00 0.00000e+00 9.04489e-01 70.875  1.79496e+01 250.875 0.2188 
1 1 1 3  21 21 o 17 5.89540e+01 2.63023e+01 8.20240e+01 99.440  -4.11128e-01 2.47283e+00  0.00000e+00 0.00000e+00 3.43576e+00 99.440  7.85882e+01 279.440 0.7657 
1 1 1 3  21 22 f 0  8.72516e+01 3.20106e+01 5.34880e+01 323.798 1.80224e+00  -1.31916e+00 0.00000e+00 0.00000e+00 6.88412e+01 323.798 1.53532e+01 323.798 0.7326 
1 1 1 3  21 23 o 7  8.64357e+01 3.22121e+01 8.39228e+01 286.692 9.38666e-01  -3.13026e+00 0.00000e+00 0.00000e+00 5.46033e+01 286.692 2.93195e+01 106.692 0.8280 
1 1 1 3  21 24 o 11 6.04433e+01 2.63185e+01 4.07696e+01 59.403  8.39569e-01  1.41979e+00  0.00000e+00 0.00000e+00 3.39286e+01 59.403  6.84099e+00 239.403 0.6310 
1 1 1 3  21 25 o 12 5.28588e+01 2.45392e+01 3.91174e+01 227.774 -1.06343e+00 -1.17172e+00 0.00000e+00 0.00000e+00 2.54345e+01 227.774 1.36829e+01 47.774  0.6158 
1 1 1 3  21 26 o 13 6.88351e+01 3.01802e+01 1.26826e+01 80.547  1.00088e-01  6.01159e-01  0.00000e+00 0.00000e+00 2.76074e+01 80.547  1.49249e+01 80.547  0.2914 
1 1 1 3  21 27 o 1  6.07587e+01 2.78003e+01 3.97125e+01 81.970  2.81265e-01  1.99372e+00  0.00000e+00 0.00000e+00 4.68646e+01 81.970  7.15214e+00 81.970  0.7000 
1 1 1 3  21 28 o 8  4.86422e+01 2.36554e+01 4.51826e+01 301.805 1.22739e+00  -1.97921e+00 0.00000e+00 0.00000e+00 2.96213e+01 301.805 1.55613e+01 121.805 0.7450 
1 1 1 3  21 29 o 3  5.27870e+01 2.54698e+01 2.62589e+01 101.020 -2.76003e-01 1.41724e+00  0.00000e+00 0.00000e+00 3.80674e+01 101.020 1.18085e+01 101.020 0.5819 
1 1 1 3  21 30 o 12 6.29529e+01 3.16460e+01 2.73359e+01 192.292 -1.28247e+00 -2.79430e-01 0.00000e+00 0.00000e+00 4.57549e+01 192.292 1.84190e+01 192.292 0.5463 
1 1 1 3  21 31 o 14 4.88973e+01 2.42374e+01 1.57663e+01 339.740 8.82267e-01  -3.25667e-01 0.00000e+00 0.00000e+00 2.90758e+01 339.740 1.33095e+01 339.740 0.4249 
1 1 1 3  21 32 o 18 6.02000e+01 2.89063e+01 1.79587e+01 102.112 -2.18491e-01 1.01814e+00  0.00000e+00 0.00000e+00 4.28783e+01 102.112 2.49196e+01 102.112 0.4608 
1 1 1 3  22 0  o 17 3.35219e+02 2.35164e+01 3.19429e+02 90.000  8.50956e-16  1.38972e+01  0.00000e+00 0.00000e+00 2.61547e+02 90.000  5.78820e+01 270.000 1.0000 
1 1 1 3  22 1  o 3  2.34210e+02 2.44348e+01 1.34652e+02 80.574  1.24902e+00  7.52370e+00  0.00000e+00 0.00000e+00 2.43726e+02 80.574  1.09074e+02 80.574  0.9319 
1 1 1 3  22 2  o 10 3.05356e+02 1.27387e+01 2.72532e+02 243.811 -9.73638e+00 -1.97965e+01 0.00000e+00 0.00000e+00 2.45074e+02 243.811 2.74581e+01 63.811  0.9771 
1 1 1 3  22 3  o 2  9.76344e+01 1.73946e+01 2.36584e+01 76.742  1.35229e-01  5.73950e-01  0.00000e+00 0.00000e+00 2.42899e+01 76.742  6.31485e-01 76.742  0.2827 
1 1 1 3  22 4  o 15 9.44973e+01 3.24565e+01 1.12029e+02 214.683 -1.87947e+00 -1.30058e+00 0.00000e+00 0.00000e+00 9.57585e+00 214.683 1.02453e+02 34.683  0.7395 
1 1 1 3  22 5  o 9  1.01137e+02 2.54655e+01 3.80800e+01 149.758 -7.69788e-01 4.48774e-01  0.00000e+00 0.00000e+00 3.36161e+01 149.758 4.46391e+00 329.758 0.4065 
1 1 1 3  22 6  o 11 1.69846e+02 2.48949e+01 1.58100e+02 13.343  6.43077e+00  1.52526e+00  0.00000e+00 0.00000e+00 1.15449e+02 13.343  4.26511e+01 193.343 0.9209 
1 1 1 3  22 8  o 6  2.39803e+02 1.69421e+01 1.99091e+02 119.439 -4.61982e+00 8.18572e+00  0.00000e+00 0.00000e+00 2.00137e+02 119.439 1.04622e+00 119.439 0.9452 
1 1 1 3  22 9  o 4  1.28837e+02 1.43525e+01 1.51762e+02 178.380 -4.23337e+00 1.19730e-01  0.00000e+00 0.00000e+00 4.69633e+01 178.380 1.04799e+02 358.380 0.8720 
1 1 1 3  22 10 o 18 1.73399e+02 2.03180e+01 1.33844e+02 352.687 5.76618e+00  -7.40036e-01 0.00000e+00 0.00000e+00 1.46418e+02 352.687 1.25745e+01 352.687 0.9094 
1 1 1 3  22 12 o 7  4.61213e+01 2.20427e+01 1.10925e+02 100.022 -2.06044e-01 1.16587e+00  0.00000e+00 0.00000e+00 6.88356e+01 280.022 1.79761e+02 280.022 0.5078 
1 1 1 3  22 13 o 6  2.66613e+02 4.48834e+01 6.35830e+01 144.683 -2.41556e+00 1.71140e+00  0.00000e+00 0.00000e+00 3.25552e+02 144.683 2.61969e+02 144.683 0.8070 
1 1 1 3  22 14 o 12 8.55537e+01 3.69177e+01 1.87403e+02 314.585 2.79532e+00  -2.83610e+00 0.00000e+00 0.00000e+00 5.29843e+01 134.585 2.40388e+02 134.585 0.8628 
1 1 1 3  22 15 o 6  9.13928e+01 3.68800e+01 1.02451e+02 164.509 -2.37755e+00 6.58947e-01  0.00000e+00 0.00000e+00 2.51886e+01 164.509 7.72622e+01 344.509 0.7614 
1 1 1 3  22 16 o 4  9.73256e+01 3.78057e+01 1.14629e+02 236.801 -1.64096e+00 -2.50779e+00 0.00000e+00 0.00000e+00 3.10681e+01 236.801 8.35609e+01 56.801  0.8098 
1 1 1 3  22 17 o 15 7.58643e+01 3.27297e+01 4.75176e+01 27.543  1.05213e+00  5.48703e-01  0.00000e+00 0.00000e+00 2.44124e+01 27.543  2.31052e+01 207.543 0.5086 
1 1 1 3  22 18 o 2  7.46386e+01 3.22490e+01 1.59112e+02 169.784 -4.50845e+00 8.12510e-01  0.00000e+00 0.00000e+00 3.52109e+01 349.784 1.94323e+02 349.784 0.8827 
1 1 1 3  22 19 o 9  6.25355e+01 2.85548e+01 7.75476e+01 295.315 8.95444e-01  -1.89302e+00 0.00000e+00 0.00000e+00 7.05116e+00 295.315 7.04964e+01 115.315 0.7126 
1 1 1 3  22 20 o 4  1.41740e+02 2.44146e+01 1.23040e+02 358.672 9.48023e+00  -2.19809e-01 0.00000e+00 0.00000e+00 1.33931e+02 358.672 1.08907e+01 358.672 0.9457 
1 1 1 3  22 21 f 0  7.05307e+01 2.83415e+01 8.28536e+01 97.183  -3.88749e-01 3.08443e+00  0.00000e+00 0.00000e+00 2.88612e+01 97.183  5.39924e+01 277.183 0.8177 
1 1 1 3  22 22 f 0  8.09567e+01 2.97947e+01 2.69157e+01 228.170 -7.27010e-01 -8.12263e-01 0.00000e+00 0.00000e+00 4.87636e+01 228.170 2.18479e+01 228.170 0.4774 
1 1 1 3  22 23 o 17 6.33434e+01 2.67829e+01 8.37744e+01 324.486 2.84445e+00  -2.02997e+00 0.00000e+00 0.00000e+00 2.17052e+01 324.486 6.20693e+01 144.486 0.8408 
1 1 1 3  22 24 o 16 4.65943e+01 2.20997e+01 3.17677e+01 165.055 -1.19990e+00 3.20286e-01  0.00000e+00 0.00000e+00 1.73092e+01 165.055 1.44585e+01 345.055 0.5256 
1 1 1 3  22 25 o 12 7.20146e+01 3.06127e+01 2.39239e+01 94.291  -8.81199e-02 1.17456e+00  0.00000e+00 0.00000e+00 4.99922e+01 94.291  2.60683e+01 94.291  0.5059 
1 1 1 3  22 26 o 6  7.19134e+01 3.04214e+01 1.52338e+01 175.416 -8.14582e-01 6.53075e-02  0.00000e+00 0.00000e+00 4.06191e+01 175.416 2.53853e+01 175.416 0.3779 
1 1 1 3  22 27 o 13 7.72348e+01 3.15717e+01 5.30573e+01 189.310 -2.88905e+00 -4.73633e-01 0.00000e+00 0.00000e+00 7.63629e+01 189.310 2.33055e+01 189.310 0.8045 
1 1 1 3  22 28 o 5  5.95621e+01 2.75656e+01 4.73230e+01 1.970   2.60929e+00  8.97415e-02  0.00000e+00 0.00000e+00 5.03609e+01 1.970   3.03790e+00 1.970   0.7765 
1 1 1 3  22 29 o 18 6.81501e+01 3.06525e+01 1.63852e+01 198.521 -8.46990e-01 -2.83747e-01 0.00000e+00 0.00000e+00 4.30861e+01 198.521 2.67009e+01 198.521 0.4073 
1 1 1 3  22 30 o 8  5.01083e+01 2.56771e+01 1.33583e+01 204.415 -6.77116e-01 -3.07364e-01 0.00000e+00 0.00000e+00 2.45926e+01 204.415 1.12343e+01 204.415 0.3483 
1 1 1 3  22 31 o 4  5.09846e+01 2.50665e+01 3.67111e+01 33.468  1.89171e+00  1.25057e+00  0.00000e+00 0.00000e+00 4.62918e+01 33.468  9.58064e+00 33.468  0.7372 
1 1 1 3  22 32 o 18 4.42504e+01 2.23553e+01 1.55578e+01 245.336 -4.32946e-01 -9.42874e-01 0.00000e+00 0.00000e+00 3.00676e+01 245.336 1.45098e+01 245.336 0.4595 
1 1 1 3  23 0  o 5  3.60940e+02 1.94456e+01 2.95649e+02 270.000 -8.79202e-16 -1.43585e+01 0.00000e+00 0.00000e+00 3.45095e+02 270.000 4.94458e+01 270.000 1.0000 
1 1 1 3  23 1  o 19 1.14188e+02 2.18274e+01 6.42495e+01 243.897 -8.12008e-01 -1.65731e+00 0.00000e+00 0.00000e+00 7.17419e+01 243.897 7.49237e+00 243.897 0.6707 
1 1 1 3  23 2  o 12 2.25715e+02 2.72132e+01 1.66936e+02 31.673  5.95177e+00  3.67197e+00  0.00000e+00 0.00000e+00 2.04261e+02 31.673  3.73252e+01 31.673  0.9255 
1 1 1 3  23 3  o 8  2.66435e+02 2.07129e+01 2.01544e+02 115.420 -4.48557e+00 9.43808e+00  0.00000e+00 0.00000e+00 2.49222e+02 115.420 4.76778e+01 115.420 0.9509 
1 1 1 3  23 4  o 18 8.37816e+01 2.90183e+01 5.88435e+01 138.668 -6.67582e-01 5.87153e-01  0.00000e+00 0.00000e+00 1.74031e+00 138.668 5.71032e+01 318.668 0.4057 
1 1 1 3  23 5  o 14 1.05870e+02 2.77859e+01 2.19851e+02 310.462 2.98733e+00  -3.50244e+00 0.00000e+00 0.00000e+00 5.27940e+01 130.462 2.72645e+02 130.462 0.8833 
1 1 1 3  23 6  f 0  1.31990e+02 2.44061e+01 1.31980e+02 185.538 -3.50087e+00 -3.39442e-01 0.00000e+00 0.00000e+00 6.71077e+01 185.538 6.48725e+01 5.538   0.8420 
1 1 1 3  23 7  o 12 1.58960e+02 2.45027e+01 1.74160e+02 145.829 -5.54794e+00 3.76621e+00  0.00000e+00 0.00000e+00 8.92773e+01 145.829 8.48827e+01 325.829 0.9221 
1 1 1 3  23 8  o 8  1.67176e+02 1.99840e+01 1.15953e+02 158.537 -4.17654e+00 1.64206e+00  0.00000e+00 0.00000e+00 1.49447e+02 158.537 3.34937e+01 158.537 0.8800 
1 1 1 3  23 9  o 15 4.27046e+02 2.02843e+01 2.66367e+02 19.499  2.56929e+01  9.09779e+00  0.00000e+00 0.00000e+00 4.93044e+02 19.499  2.26677e+02 19.499  0.9815 
1 1 1 3  23 10 o 16 2.44292e+02 2.00174e+01 1.78194e+02 48.456  6.93123e+00  7.82214e+00  0.00000e+00 0.00000e+00 2.44706e+02 48.456  6.65116e+01 48.456  0.9509 
1 1 1 3  23 11 o 2  5.61658e+01 2.47108e+01 9.99827e+01 214.809 -1.23353e+00 -8.57610e-01 0.00000e+00 0.00000e+00 3.86432e+01 34.809  1.38626e+02 34.809  0.5967 
1 1 1 3  23 13 o 5  1.01842e+02 3.61118e+01 1.23059e+02 302.787 1.82479e+00  -2.83291e+00 0.00000e+00 0.00000e+00 3.42843e+01 302.787 8.87752e+01 122.787 0.8340 
1 1 1 3  23 14 o 10 8.08292e+01 3.41890e+01 1.54381e+02 99.686  -6.40323e-01 3.75140e+00  0.00000e+00 0.00000e+00 2.53899e+01 279.686 1.79771e+02 279.686 0.8556 
1 1 1 3  23 15 o 16 8.98297e+01 3.65227e+01 1.20271e+02 243.629 -1.43491e+00 -2.89424e+00 0.00000e+00 0.00000e+00 1.90830e+01 243.629 1.01188e+02 63.629  0.8257 
1 1 1 3  23 16 o 10 7.41693e+01 3.15980e+01 7.31950e+01 52.731  1.30254e+00  1.71176e+00  0.00000e+00 0.00000e+00 2.80772e+01 52.731  4.51178e+01 232.731 0.7211 
1 1 1 3  23 17 o 10 8.15131e+01 3.28765e+01 1.06890e+02 108.733 -1.11413e+00 3.28524e+00  0.00000e+00 0.00000e+00 2.37668e+01 108.733 8.31234e+01 288.733 0.8395 
1 1 1 3  23 18 o 13 8.31644e+01 3.27490e+01 6.89830e+01 224.244 -1.57045e+00 -1.52956e+00 0.00000e+00 0.00000e+00 4.74761e+01 224.244 2.15070e+01 44.244  0.7269 
1 1 1 3  23 19 o 17 4.68580e+01 2.12231e+01 2.86708e+01 47.546  5.43011e-01  5.93554e-01  0.00000e+00 0.00000e+00 5.30015e+00 47.546  2.33707e+01 227.546 0.3729 
1 1 1 3  23 20 o 11 4.36563e+01 2.04407e+01 6.41690e+01 307.429 1.17288e+00  -1.53243e+00 0.00000e+00 0.00000e+00 5.37091e+00 127.429 6.95399e+01 127.429 0.6859 
1 1 1 3  23 21 o 7  6.36486e+01 2.68288e+01 5.65444e+01 356.916 1.95643e+00  -1.05395e-01 0.00000e+00 0.00000e+00 3.07117e+01 356.916 2.58327e+01 176.916 0.6910 
1 1 1 3  23 22 o 17 5.75621e+01 2.53275e+01 4.68432e+01 268.695 -4.24698e-02 -1.86487e+00 0.00000e+00 0.00000e+00 3.10134e+01 268.695 1.58298e+01 88.695  0.6744 
1 1 1 3  23 23 o 10 4.61751e+01 2.18492e+01 3.36587e+01 153.852 -1.29298e+00 6.34771e-01  0.00000e+00 0.00000e+00 2.07673e+01 153.852 1.28914e+01 333.852 0.5810 
1 1 1 3  23 24 o 19 5.28971e+01 2.43727e+01 2.37068e+01 276.579 1.28650e-01  -1.11552e+00 0.00000e+00 0.00000e+00 2.93092e+01 276.579 5.60242e+00 276.579 0.4882 
1 1 1 3  23 25 o 6  6.17604e+01 2.77311e+01 1.96926e+01 101.057 -1.96908e-01 1.00768e+00  0.00000e+00 0.00000e+00 3.88089e+01 101.057 1.91163e+01 101.057 0.4558 
1 1 1 3  23 26 o 15 5.35696e+01 2.51384e+01 4.90532e+01 51.083  1.61405e+00  1.99912e+00  0.00000e+00 0.00000e+00 3.80450e+01 51.083  1.10082e+01 231.083 0.7723 
1 1 1 3  23 27 o 4  5.10473e+01 2.43689e+01 5.18757e+01 263.981 -3.06028e-01 -2.90240e+00 0.00000e+00 0.00000e+00 3.56621e+01 263.981 1.62136e+01 83.981  0.8038 
1 1 1 3  23 28 f 0  5.10831e+01 2.45301e+01 3.65162e+01 121.577 -1.09585e+00 1.78289e+00  0.00000e+00 0.00000e+00 4.22125e+01 121.577 5.69629e+00 121.577 0.7124 
1 1 1 3  23 29 o 2  5.01489e+01 2.45419e+01 2.29338e+01 43.186  9.96192e-01  9.35013e-01  0.00000e+00 0.00000e+00 3.88399e+01 43.186  1.59061e+01 43.186  0.5613 
1 1 1 3  23 30 o 9  4.57684e+01 2.28213e+01 2.36526e+01 298.330 7.23664e-01  -1.34232e+00 0.00000e+00 0.00000e+00 3.77455e+01 298.330 1.40929e+01 298.330 0.6022 
1 1 1 3  23 31 o 1  5.27472e+01 2.70243e+01 1.50710e+01 169.556 -8.42921e-01 1.55367e-01  0.00000e+00 0.00000e+00 3.18776e+01 169.556 1.68066e+01 169.556 0.3935 
1 1 1 3  24 0  o 10 6.21744e+01 4.12990e+01 4.76723e+01 270.000 2.98275e-08  -3.41187e-01 0.00000e+00 0.00000e+00 1.04907e+01 90.000  5.81630e+01 90.000  0.3285 
1 1 1 3  24 1  o 3  1.56571e+02 2.20053e+01 1.25853e+02 172.116 -4.86506e+00 6.73718e-01  0.00000e+00 0.00000e+00 1.28227e+02 172.116 2.37376e+00 172.116 0.8913 
1 1 1 3  24 2  o 13 2.09390e+02 3.11467e+01 1.62377e+02 19.539  7.17457e+00  2.54608e+00  0.00000e+00 0.00000e+00 1.93131e+02 19.539  3.07535e+01 19.539  0.9318 
1 1 1 3  24 3  o 1  1.89143e+02 2.48763e+01 1.22871e+02 286.048 1.43555e+00  -4.99053e+00 0.00000e+00 0.00000e+00 1.86889e+02 286.048 6.40177e+01 286.048 0.8977 
1 1 1 3  24 4  o 4  9.26598e+01 1.92871e+01 1.02099e+02 9.273   2.18215e+00  3.56294e-01  0.00000e+00 0.00000e+00 2.14491e+01 9.273   8.06500e+01 189.273 0.7296 
1 1 1 3  24 5  o 9  5.80570e+01 2.59090e+01 3.39750e+01 56.289  2.38541e-01  3.57532e-01  0.00000e+00 0.00000e+00 1.16328e+01 236.289 4.56078e+01 236.289 0.2101 
1 1 1 3  24 6  o 3  4.34863e+02 2.04897e+01 3.18295e+02 190.803 -3.25501e+01 -6.21096e+00 0.00000e+00 0.00000e+00 4.68340e+02 190.803 1.50045e+02 190.803 0.9848 
1 1 1 3  24 7  o 11 1.67666e+02 2.32228e+01 1.92594e+02 93.040  -4.01504e-01 7.55963e+00  0.00000e+00 0.00000e+00 9.51971e+01 93.040  9.73973e+01 273.040 0.9314 
1 1 1 3  24 8  o 10 3.74499e+02 1.92229e+01 2.58771e+02 353.648 2.31321e+01  -2.57518e+00 0.00000e+00 0.00000e+00 4.18954e+02 353.648 1.60183e+02 353.648 0.9783 
1 1 1 3  24 9  o 4  2.17485e+02 1.40928e+01 1.05593e+02 314.497 4.77886e+00  -4.86356e+00 0.00000e+00 0.00000e+00 2.67525e+02 314.497 1.61932e+02 314.497 0.9234 
1 1 1 3  24 10 f 0  6.90326e+01 2.52637e+01 3.08701e+01 170.022 -6.27743e-01 1.10441e-01  0.00000e+00 0.00000e+00 8.24490e+00 170.022 2.26252e+01 350.022 0.3035 
1 1 1 3  24 11 o 13 6.05517e+01 2.59362e+01 6.21260e+01 223.872 -8.67313e-01 -8.33810e-01 0.00000e+00 0.00000e+00 3.74689e+00 43.872  6.58729e+01 43.872  0.5137 
1 1 1 3  24 12 o 3  2.45281e+02 4.98372e+01 1.20471e+02 319.109 4.77175e+00  -4.13207e+00 0.00000e+00 0.00000e+00 3.04065e+02 319.109 1.83594e+02 319.109 0.9170 
1 1 1 3  24 13 o 15 6.30565e+01 2.88784e+01 8.57136e+01 239.971 -9.46807e-01 -1.63798e+00 0.00000e+00 0.00000e+00 4.36102e+00 59.971  9.00747e+01 59.971  0.6792 
1 1 1 3  24 14 o 17 2.30689e+02 5.01286e+01 2.32616e+02 177.326 -1.21368e+01 5.66923e-01  0.00000e+00 0.00000e+00 1.90008e+02 177.326 4.26083e+01 357.326 0.9579 
1 1 1 3  24 15 o 7  6.18545e+01 2.84622e+01 1.04794e+02 46.687  1.99095e+00  2.11181e+00  0.00000e+00 0.00000e+00 9.16544e+00 226.687 1.13960e+02 226.687 0.8025 
1 1 1 3  24 16 o 12 8.17113e+01 2.21606e+01 5.98097e+01 36.494  1.97872e+00  1.46386e+00  0.00000e+00 0.00000e+00 6.08825e+01 36.494  1.07280e+00 36.494  0.7607 
1 1 1 3  24 17 o 11 9.21623e+01 3.27423e+01 4.12521e+01 214.519 -1.37069e+00 -9.42729e-01 0.00000e+00 0.00000e+00 7.31568e+01 214.519 3.19048e+01 214.519 0.6341 
1 1 1 3  24 18 o 18 6.33116e+01 2.80300e+01 6.20471e+01 272.576 9.56004e-02  -2.12533e+00 0.00000e+00 0.00000e+00 2.76967e+01 272.576 3.43503e+01 92.576  0.7176 
1 1 1 3  24 19 o 11 6.77114e+01 2.54954e+01 5.38810e+01 341.536 1.90536e+00  -6.36193e-01 0.00000e+00 0.00000e+00 4.05113e+01 341.536 1.33697e+01 161.536 0.6992 
1 1 1 3  24 20 f 0  7.16219e+01 2.76455e+01 4.92855e+01 57.085  1.17136e+00  1.80960e+00  0.00000e+00 0.00000e+00 5.47951e+01 57.085  5.50958e+00 57.085  0.7217 
1 1 1 3  24 21 o 11 5.03121e+01 2.28497e+01 3.90445e+01 167.333 -1.50429e+00 3.38083e-01  0.00000e+00 0.00000e+00 2.30126e+01 167.333 1.60319e+01 347.333 0.6063 
1 1 1 3  24 22 o 16 4.17930e+01 2.03248e+01 4.50338e+01 6.236   1.84269e+00  2.01361e-01  0.00000e+00 0.00000e+00 1.27427e+01 6.236   3.22911e+01 186.236 0.6722 
1 1 1 3  24 23 o 19 6.60580e+01 2.74287e+01 7.00729e+01 172.150 -3.56764e+00 4.91901e-01  0.00000e+00 0.00000e+00 4.62007e+01 172.150 2.38723e+01 352.150 0.8462 
1 1 1 3  24 24 o 4  7.10816e+01 2.89660e+01 3.91308e+01 235.853 -1.21798e+00 -1.79579e+00 0.00000e+00 0.00000e+00 6.91580e+01 235.853 3.00272e+01 235.853 0.7238 
1 1 1 3  24 25 o 18 4.52415e+01 2.21174e+01 1.85915e+01 335.180 8.72337e-01  -4.03444e-01 0.00000e+00 0.00000e+00 2.30998e+01 335.180 4.50824e+00 335.180 0.4324 
1 1 1 3  24 26 o 17 6.13171e+01 2.74392e+01 2.27505e+01 109.239 -4.24254e-01 1.21560e+00  0.00000e+00 0.00000e+00 4.85970e+01 109.239 2.58465e+01 109.239 0.5391 
1 1 1 3  24 27 o 2  4.23328e+01 2.09811e+01 3.47446e+01 350.973 2.01974e+00  -3.20888e-01 0.00000e+00 0.00000e+00 3.05477e+01 350.973 4.19683e+00 170.973 0.7050 
1 1 1 3  24 28 o 12 6.47000e+01 2.93148e+01 1.69937e+01 179.662 -9.77279e-01 5.76347e-03  0.00000e+00 0.00000e+00 4.59073e+01 179.662 2.89137e+01 179.662 0.4383 
1 1 1 3  24 29 o 13 4.45141e+01 2.21466e+01 2.54536e+01 133.731 -1.13569e+00 1.18713e+00  0.00000e+00 0.00000e+00 3.76053e+01 133.731 1.21518e+01 133.731 0.6295 
1 1 1 3  24 30 o 18 4.22819e+01 2.12492e+01 1.60933e+01 22.619  1.01878e+00  4.24477e-01  0.00000e+00 0.00000e+00 3.04471e+01 22.619  1.43538e+01 22.619  0.4819 
1 1 1 3  25 1  f 0  1.29678e+02 1.80137e+01 1.56633e+02 30.823  4.29940e+00  2.56534e+00  0.00000e+00 0.00000e+00 5.99210e+01 30.823  9.67119e+01 210.823 0.8935 
1 1 1 3  25 2  o 10 2.12951e+02 2.20197e+01 2.10198e+02 232.022 -6.53058e+00 -8.36551e+00 0.00000e+00 0.00000e+00 1.68833e+02 232.022 4.13644e+01 52.022  0.9517 
1 1 1 3  25 3  o 17 2.25972e+02 2.47582e+01 2.43144e+02 254.374 -4.02626e+00 -1.43949e+01 0.00000e+00 0.00000e+00 1.65621e+02 254.374 7.75230e+01 74.374  0.9659 
1 1 1 3  25 4  o 1  5.91624e+01 1.96570e+01 8.47472e+01 273.555 8.92367e-02  -1.43625e+00 0.00000e+00 0.00000e+00 2.02972e+01 93.555  1.05044e+02 93.555  0.5807 
1 1 1 3  25 5  o 19 8.91215e+01 2.11271e+01 6.77246e+00 101.901 -3.48968e-02 1.65582e-01  0.00000e+00 0.00000e+00 7.35511e+00 101.901 5.82655e-01 101.901 0.0843 
1 1 1 3  25 6  o 12 6.41629e+01 2.80641e+01 6.52068e+01 84.802  1.10192e-01  1.21126e+00  0.00000e+00 0.00000e+00 2.56589e+00 264.802 6.77727e+01 264.802 0.5178 
1 1 1 3  25 7  o 14 1.23948e+02 3.12272e+01 1.23423e+02 87.296  2.15064e-01  4.55302e+00  0.00000e+00 0.00000e+00 8.33814e+01 87.296  4.00419e+01 267.296 0.8820 
1 1 1 3  25 8  o 17 9.25703e+01 2.95196e+01 6.12351e+01 300.153 8.64867e-01  -1.48880e+00 0.00000e+00 0.00000e+00 5.23815e+01 300.153 8.85351e+00 120.153 0.6464 
1 1 1 3  25 9  o 10 2.11897e+02 2.07094e+01 2.00324e+02 225.342 -1.17472e+01 -1.18882e+01 0.00000e+00 0.00000e+00 1.91481e+02 225.342 8.84267e+00 45.342  0.9696 
1 1 1 3  25 10 o 13 5.43243e+01 2.00610e+01 6.61759e+01 165.408 -1.28000e+00 3.33215e-01  0.00000e+00 0.00000e+00 9.01387e+00 345.408 7.51898e+01 345.408 0.5491 
1 1 1 3  25 11 o 10 8.64797e+01 3.01067e+01 1.41770e+02 353.958 4.16618e+00  -4.40977e-01 0.00000e+00 0.00000e+00 3.23306e+00 353.958 1.38537e+02 173.958 0.8704 
1 1 1 3  25 12 o 14 9.91043e+01 1.99303e+01 3.26271e+01 323.911 1.09736e+00  -7.99874e-01 0.00000e+00 0.00000e+00 7.47114e+01 323.911 4.20844e+01 323.911 0.5590 
1 1 1 3  25 13 o 18 7.34431e+01 3.05401e+01 1.28582e+02 118.265 -1.90655e+00 3.54601e+00  0.00000e+00 0.00000e+00 4.78472e+00 298.265 1.33367e+02 298.265 0.8645 
1 1 1 3  25 14 f 0  5.69805e+01 2.67083e+01 2.68939e+01 239.927 -3.51024e-01 -6.06201e-01 0.00000e+00 0.00000e+00 1.00627e+01 239.927 1.68311e+01 59.927  0.3304 
1 1 1 3  25 15 f 0  9.24892e+01 2.14516e+01 2.09529e+01 148.632 -9.90549e-01 6.03879e-01  0.00000e+00 0.00000e+00 7.05426e+01 148.632 4.95897e+01 148.632 0.5003 
1 1 1 3  25 16 o 13 7.10452e+01 2.26831e+01 3.48006e+01 57.606  7.69840e-01  1.21338e+00  0.00000e+00 0.00000e+00 4.73483e+01 57.606  1.25476e+01 57.606  0.5802 
1 1 1 3  25 17 o 14 8.25826e+01 2.27088e+01 4.23381e+01 9.095   2.24853e+00  3.59943e-01  0.00000e+00 0.00000e+00 8.02145e+01 9.095   3.78764e+01 9.095   0.7384 
1 1 1 3  25 18 o 5  8.35614e+01 2.45525e+01 5.22692e+01 246.752 -1.01152e+00 -2.35462e+00 0.00000e+00 0.00000e+00 7.84643e+01 246.752 2.61951e+01 246.752 0.7716 
1 1 1 3  25 19 o 7  7.93030e+01 3.22466e+01 6.01333e+01 304.409 1.46230e+00  -2.13492e+00 0.00000e+00 0.00000e+00 6.55167e+01 304.409 5.38341e+00 304.409 0.7742 
1 1 1 3  25 20 o 4  4.11937e+01 1.97522e+01 7.82158e+00 338.902 2.78942e-01  -1.07626e-01 0.00000e+00 0.00000e+00 4.76559e+00 338.902 3.05599e+00 158.902 0.1478 
1 1 1 3  25 21 o 12 5.66589e+01 2.45957e+01 3.83571e+00 301.652 9.82833e-02  -1.59434e-01 0.00000e+00 0.00000e+00 7.19593e+00 301.652 3.36022e+00 301.652 0.0932 
1 1 1 3  25 22 o 12 5.21443e+01 2.35106e+01 3.01399e+01 78.959  3.00600e-01  1.54054e+00  0.00000e+00 0.00000e+00 3.73225e+01 78.959  7.18266e+00 78.959  0.6129 
1 1 1 3  25 23 o 6  5.41307e+01 2.45614e+01 2.26389e+01 159.058 -1.10088e+00 4.21307e-01  0.00000e+00 0.00000e+00 3.58581e+01 159.058 1.32192e+01 159.058 0.5061 
1 1 1 3  25 24 o 18 5.23745e+01 2.45778e+01 4.76223e+01 44.772  1.79002e+00  1.77581e+00  0.00000e+00 0.00000e+00 3.92039e+01 44.772  8.41836e+00 224.772 0.7673 
1 1 1 3  25 25 o 3  5.69507e+01 2.59678e+01 2.90691e+01 9.215   1.62490e+00  2.63620e-01  0.00000e+00 0.00000e+00 4.94421e+01 9.215   2.03730e+01 9.215   0.6302 
1 1 1 3  25 26 o 19 4.22926e+01 2.09581e+01 4.88240e+01 224.288 -2.04792e+00 -1.99765e+00 0.00000e+00 0.00000e+00 2.60627e+01 224.288 2.27612e+01 44.288  0.7991 
1 1 1 3  25 27 o 4  4.21658e+01 2.09549e+01 3.31032e+01 125.038 -1.20873e+00 1.72382e+00  0.00000e+00 0.00000e+00 3.45336e+01 125.038 1.43043e+00 125.038 0.7143 
1 1 1 3  25 28 o 13 4.70020e+01 2.30338e+01 3.63911e+01 8.773   2.28385e+00  3.52452e-01  0.00000e+00 0.00000e+00 4.30979e+01 8.773   6.70673e+00 8.773   0.7428 
1 1 1 3  25 29 o 1  4.59743e+01 2.28748e+01 2.96565e+01 269.608 -1.32353e-02 -1.93678e+00 0.00000e+00 0.00000e+00 4.33115e+01 269.608 1.36550e+01 269.608 0.6871 
1 1 1 3  26 0  o 1  7.34492e+01 4.35006e+01 9.68776e+01 90.000  6.53772e-17  1.06769e+00  0.00000e+00 0.00000e+00 1.43276e+01 90.000  8.25500e+01 270.000 0.7886 
1 1 1 3  26 1  o 14 4.16515e+01 1.85548e+01 1.15631e+02 359.466 1.74710e+00  -1.62763e-02 0.00000e+00 0.00000e+00 6.35134e+01 179.466 1.79145e+02 179.466 0.6516 
1 1 1 3  26 2  o 7  1.47871e+02 4.79631e+01 1.83949e+02 247.196 -2.27073e+00 -5.40089e+00 0.00000e+00 0.00000e+00 7.46931e+01 247.196 1.09256e+02 67.196  0.9101 
1 1 1 3  26 3  f 0  6.82214e+01 3.00283e+01 8.37254e+01 60.664  9.48760e-01  1.68818e+00  0.00000e+00 0.00000e+00 6.47202e+00 60.664  7.72533e+01 240.664 0.6871 
1 1 1 3  26 4  o 15 9.81966e+01 2.06262e+01 5.57309e+01 195.502 -2.10597e+00 -5.84130e-01 0.00000e+00 0.00000e+00 8.16958e+01 195.502 2.59649e+01 195.502 0.7260 
1 1 1 3  26 6  o 15 8.88434e+01 3.41970e+01 1.07856e+02 85.583  2.15318e-01  2.78774e+00  0.00000e+00 0.00000e+00 2.87625e+01 85.583  7.90939e+01 265.583 0.7937 
1 1 1 3  26 7  o 18 6.69023e+01 2.94477e+01 1.00836e+02 324.019 1.91509e+00  -1.39041e+00 0.00000e+00 0.00000e+00 3.34504e+00 144.019 1.04181e+02 144.019 0.7497 
1 1 1 3  26 8  o 6  6.07256e+01 2.05241e+01 5.14053e+01 324.209 1.03698e+00  -7.47646e-01 0.00000e+00 0.00000e+00 1.21502e+01 324.209 3.92551e+01 144.209 0.5364 
1 1 1 3  26 9  o 13 8.09361e+01 2.17494e+01 1.71887e+02 28.481  5.03385e+00  2.73100e+00  0.00000e+00 0.00000e+00 2.78957e+01 208.481 1.99783e+02 208.481 0.9079 
1 1 1 3  26 10 o 12 6.88560e+01 2.23801e+01 6.04591e+01 239.580 -1.03786e+00 -1.76756e+00 0.00000e+00 0.00000e+00 3.52268e+01 239.580 2.52323e+01 59.580  0.7058 
1 1 1 3  26 11 o 4  9.30152e+01 2.10397e+01 7.97849e+01 207.230 -3.53381e+00 -1.81849e+00 0.00000e+00 0.00000e+00 7.90203e+01 207.230 7.64524e-01 27.230  0.8625 
1 1 1 3  26 12 o 3  2.99424e+01 1.34869e+01 3.38597e+00 234.777 -3.52933e-02 -4.99891e-02 0.00000e+00 0.00000e+00 1.56287e+00 54.777  4.94884e+00 54.777  0.0306 
1 1 1 3  26 13 o 16 7.99687e+01 2.18055e+01 5.13834e+01 177.729 -2.44551e+00 9.69612e-02  0.00000e+00 0.00000e+00 7.02481e+01 177.729 1.88646e+01 177.729 0.7592 
1 1 1 3  26 14 f 0  3.78491e+01 1.83718e+01 7.26477e+01 13.198  1.74684e+00  4.09652e-01  0.00000e+00 0.00000e+00 2.21867e+01 193.198 9.48344e+01 193.198 0.6609 
1 1 1 3  26 15 o 1  5.26626e+01 2.37521e+01 3.80514e+01 271.363 3.02589e-02  -1.27204e+00 0.00000e+00 0.00000e+00 1.91607e+01 271.363 1.88907e+01 91.363  0.5346 
1 1 1 3  26 16 o 7  7.25192e+01 2.24112e+01 6.25030e+01 255.051 -7.03917e-01 -2.63650e+00 0.00000e+00 0.00000e+00 5.44923e+01 255.051 8.01067e+00 75.051  0.7878 
1 1 1 3  26 17 o 14 5.46560e+01 2.10098e+01 1.51987e+01 188.966 -6.28792e-01 -9.92123e-02 0.00000e+00 0.00000e+00 1.90211e+01 188.966 3.82241e+00 188.966 0.3032 
1 1 1 3  26 18 o 18 6.60290e+01 2.34256e+01 2.60122e+01 127.819 -8.12507e-01 1.04674e+00  0.00000e+00 0.00000e+00 4.96241e+01 127.819 2.36118e+01 127.819 0.5498 
1 1 1 3  26 20 o 19 3.98932e+01 1.90646e+01 1.90164e+01 191.141 -8.51820e-01 -1.67749e-01 0.00000e+00 0.00000e+00 1.46807e+01 191.141 4.33576e+00 11.141  0.3977 
1 1 1 3  26 21 o 13 6.04935e+01 2.56415e+01 4.65453e+01 281.561 5.24843e-01  -2.56579e+00 0.00000e+00 0.00000e+00 5.43573e+01 281.561 7.81204e+00 281.561 0.7773 
1 1 1 3  26 22 o 6  5.34262e+01 2.41213e+01 3.53298e+01 251.636 -5.97051e-01 -1.79855e+00 0.00000e+00 0.00000e+00 4.34487e+01 251.636 8.11891e+00 251.636 0.6798 
1 1 1 3  26 23 o 15 7.64116e+01 2.99376e+01 2.18427e+01 334.987 1.14837e+00  -5.35808e-01 0.00000e+00 0.00000e+00 6.75283e+01 334.987 4.56856e+01 334.987 0.5331 
1 1 1 3  26 24 o 17 7.85164e+01 3.21041e+01 4.16092e+01 42.910  1.75843e+00  1.63462e+00  0.00000e+00 0.00000e+00 8.97822e+01 42.910  4.81730e+01 42.910  0.7538 
1 1 1 3  26 25 o 19 5.75277e+01 2.61750e+01 1.24185e+01 113.369 -2.82580e-01 6.53965e-01  0.00000e+00 0.00000e+00 3.09454e+01 113.369 1.85270e+01 113.369 0.3354 
1 1 1 3  26 26 f 0  3.91684e+01 1.95114e+01 1.20984e+01 56.316  4.32164e-01  6.48388e-01  0.00000e+00 0.00000e+00 2.02505e+01 56.316  8.15212e+00 56.316  0.3627 
1 1 1 3  26 27 f 0  5.49066e+01 2.60231e+01 1.31811e+01 144.589 -6.43995e-01 4.57850e-01  0.00000e+00 0.00000e+00 3.33334e+01 144.589 2.01523e+01 144.589 0.3671 
1 1 1 3  26 28 o 12 5.84812e+01 2.72856e+01 1.73237e+01 200.119 -9.81338e-01 -3.59480e-01 0.00000e+00 0.00000e+00 4.59093e+01 200.119 2.85855e+01 200.119 0.4621 
1 1 1 3  27 0  o 3  1.05800e+02 3.51669e+01 2.35203e+02 270.000 4.16582e-07  -4.76514e+00 0.00000e+00 0.00000e+00 2.62830e+01 90.000  2.61486e+02 90.000  0.9999 
1 1 1 3  27 1  o 1  5.76728e+01 2.51817e+01 1.13562e+02 257.592 -5.35418e-01 -2.43368e+00 0.00000e+00 0.00000e+00 2.65068e+01 77.592  1.40069e+02 77.592  0.7641 
1 1 1 3  27 2  o 8  3.20109e+01 1.55560e+01 7.37229e+01 105.284 -2.77011e-01 1.01370e+00  0.00000e+00 0.00000e+00 4.43512e+01 285.284 1.18074e+02 285.284 0.4641 
1 1 1 3  27 3  o 14 7.28924e+01 2.40242e+01 5.39646e+01 92.003  -5.50838e-02 1.57486e+00  0.00000e+00 0.00000e+00 3.46745e+01 92.003  1.92901e+01 272.003 0.6143 
1 1 1 3  27 4  o 9  4.30973e+01 1.84182e+01 4.98288e+01 107.702 -2.87480e-01 9.00710e-01  0.00000e+00 0.00000e+00 1.33600e+01 287.702 6.31888e+01 287.702 0.4267 
1 1 1 3  27 5  o 3  7.99198e+01 2.16826e+01 2.59165e+01 18.990  9.94003e-01  3.42073e-01  0.00000e+00 0.00000e+00 4.78224e+01 18.990  2.19059e+01 18.990  0.4642 
1 1 1 3  27 6  o 19 7.43928e+01 3.03928e+01 7.98201e+01 65.905  9.95359e-01  2.22565e+00  0.00000e+00 0.00000e+00 3.25766e+01 65.905  4.72435e+01 245.905 0.7581 
1 1 1 3  27 7  o 18 6.95605e+01 2.93987e+01 9.13178e+01 225.231 -1.97555e+00 -1.99156e+00 0.00000e+00 0.00000e+00 1.91850e+01 225.231 7.21328e+01 45.231  0.7945 
1 1 1 3  27 8  o 2  7.24963e+01 3.11847e+01 1.46007e+02 265.098 -3.74594e-01 -4.36789e+00 0.00000e+00 0.00000e+00 1.84234e+01 85.098  1.64430e+02 85.098  0.8768 
1 1 1 3  27 9  o 18 5.14159e+01 2.37572e+01 1.15611e+02 55.816  1.65022e+00  2.42968e+00  0.00000e+00 0.00000e+00 3.21579e+01 235.816 1.47769e+02 235.816 0.8052 
1 1 1 3  27 10 o 18 6.56297e+01 2.30247e+01 1.10905e+02 349.105 3.48316e+00  -6.70401e-01 0.00000e+00 0.00000e+00 1.22166e+00 349.105 1.09684e+02 169.106 0.8435 
1 1 1 3  27 11 o 9  7.50238e+01 2.28107e+01 9.96883e+01 187.005 -4.29903e+00 -5.28230e-01 0.00000e+00 0.00000e+00 3.40005e+01 187.005 6.56878e+01 7.005   0.8752 
1 1 1 3  27 13 o 12 5.43962e+01 1.87583e+01 6.18904e+01 335.744 2.26628e+00  -1.02118e+00 0.00000e+00 0.00000e+00 2.36967e+01 335.744 3.81937e+01 155.744 0.7634 
1 1 1 3  27 14 o 11 4.27797e+01 1.79251e+01 4.30421e+01 159.819 -1.17885e+00 4.33285e-01  0.00000e+00 0.00000e+00 3.98537e+00 159.819 3.90567e+01 339.819 0.5298 
1 1 1 3  27 15 o 9  4.85882e+01 2.25765e+01 1.69743e+01 230.043 -3.86686e-01 -4.61545e-01 0.00000e+00 0.00000e+00 1.22951e+01 230.043 4.67921e+00 50.043  0.2882 
1 1 1 3  27 16 o 5  5.73085e+01 2.57145e+01 3.42881e+01 73.420  3.83620e-01  1.28849e+00  0.00000e+00 0.00000e+00 3.27464e+01 73.420  1.54176e+00 253.420 0.5552 
1 1 1 3  27 17 o 16 6.59250e+01 2.29631e+01 3.75490e+01 252.734 -6.01991e-01 -1.93677e+00 0.00000e+00 0.00000e+00 6.08094e+01 252.734 2.32604e+01 252.734 0.7023 
1 1 1 3  27 18 o 12 6.07900e+01 2.29609e+01 3.76673e+01 329.482 1.82456e+00  -1.07553e+00 0.00000e+00 0.00000e+00 5.56420e+01 329.482 1.79748e+01 329.482 0.7162 
1 1 1 3  27 19 o 18 5.61799e+01 2.38270e+01 2.55470e+01 68.856  5.07068e-01  1.31113e+00  0.00000e+00 0.00000e+00 4.39620e+01 68.856  1.84151e+01 68.856  0.5720 
1 1 1 3  27 20 f 0  5.84307e+01 2.87921e+01 1.22694e+01 100.920 -1.05292e-01 5.45744e-01  0.00000e+00 0.00000e+00 2.19010e+01 100.920 9.63159e+00 100.920 0.2677 
1 1 1 3  27 21 o 1  5.61534e+01 2.47859e+01 2.50298e+01 70.722  4.55801e-01  1.30318e+00  0.00000e+00 0.00000e+00 4.50244e+01 70.722  1.99946e+01 70.722  0.5652 
1 1 1 3  27 22 o 13 5.73420e+01 2.52034e+01 1.76883e+01 212.718 -8.38038e-01 -5.38385e-01 0.00000e+00 0.00000e+00 3.92489e+01 212.718 2.15606e+01 212.718 0.4450 
1 1 1 3  27 23 o 4  4.48478e+01 2.16709e+01 1.13901e+01 71.389  2.18871e-01  6.49935e-01  0.00000e+00 0.00000e+00 2.14233e+01 71.389  1.00333e+01 71.389  0.3242 
1 1 1 3  27 24 o 2  4.38589e+01 2.12295e+01 2.29078e+01 271.560 3.81494e-02  -1.40073e+00 0.00000e+00 0.00000e+00 3.42599e+01 271.560 1.13520e+01 271.560 0.5708 
1 1 1 3  27 25 o 4  5.63926e+01 2.59644e+01 3.59442e+01 268.176 -6.77556e-02 -2.12724e+00 0.00000e+00 0.00000e+00 5.76415e+01 268.176 2.16973e+01 268.176 0.7178 
1 1 1 3  27 26 f 0  6.01814e+01 2.73729e+01 1.82788e+01 64.502  4.72927e-01  9.91616e-01  0.00000e+00 0.00000e+00 4.94100e+01 64.502  3.11312e+01 64.502  0.4802 
1 1 1 3  27 27 o 8  4.74895e+01 2.31620e+01 2.26682e+01 56.682  8.06359e-01  1.22670e+00  0.00000e+00 0.00000e+00 4.36241e+01 56.682  2.09559e+01 56.682  0.5881 
1 1 1 3  28 0  o 19 1.67010e+02 3.53868e+01 1.50481e+02 270.000 -3.78633e-16 -6.18355e+00 0.00000e+00 0.00000e+00 1.89169e+02 270.000 3.86881e+01 270.000 1.0000 
1 1 1 3  28 1  f 0  9.45895e+01 3.39404e+01 4.45038e+01 303.086 8.86756e-01  -1.36099e+00 0.00000e+00 0.00000e+00 7.58367e+01 303.086 3.13329e+01 303.086 0.6254 
1 1 1 3  28 2  o 8  6.80449e+01 2.38668e+01 8.00477e+01 116.497 -1.21351e+00 2.43427e+00  0.00000e+00 0.00000e+00 2.89639e+01 116.497 5.10838e+01 296.497 0.7869 
1 1 1 3  28 3  o 7  8.17549e+01 3.02610e+01 1.54387e+02 144.609 -4.35857e+00 3.09640e+00  0.00000e+00 0.00000e+00 4.26615e+00 324.609 1.58653e+02 324.609 0.9008 
1 1 1 3  28 4  o 15 8.50183e+01 2.29245e+01 6.21339e+01 113.839 -1.08336e+00 2.45182e+00  0.00000e+00 0.00000e+00 7.38468e+01 113.839 1.17129e+01 113.839 0.7833 
1 1 1 3  28 5  o 7  6.86193e+01 2.92302e+01 1.70419e+02 338.131 4.60211e+00  -1.84711e+00 0.00000e+00 0.00000e+00 4.50906e+01 158.131 2.15509e+02 158.131 0.8924 
1 1 1 3  28 6  f 0  4.76904e+01 2.26172e+01 1.06321e+02 243.755 -1.11037e+00 -2.25208e+00 0.00000e+00 0.00000e+00 3.13316e+01 63.755  1.37652e+02 63.755  0.7662 
1 1 1 3  28 7  o 19 4.71904e+01 2.20593e+01 6.64805e+01 123.405 -1.03071e+00 1.56287e+00  0.00000e+00 0.00000e+00 8.33297e-01 303.405 6.73138e+01 303.405 0.6756 
1 1 1 3  28 8  o 6  6.00063e+01 2.50492e+01 9.78016e+01 29.204  2.83915e+00  1.58703e+00  0.00000e+00 0.00000e+00 4.77162e+00 29.204  9.30300e+01 209.204 0.8271 
1 1 1 3  28 9  o 1  6.67792e+01 2.61798e+01 1.58307e+02 243.849 -2.69773e+00 -5.49445e+00 0.00000e+00 0.00000e+00 3.15863e+01 63.849  1.89893e+02 63.849  0.9142 
1 1 1 3  28 10 o 8  4.29698e+01 1.88761e+01 3.40302e+01 306.419 6.44472e-01  -8.73548e-01 0.00000e+00 0.00000e+00 8.61899e+00 306.419 2.54112e+01 126.419 0.4759 
1 1 1 3  28 11 o 11 4.84784e+01 2.04750e+01 6.46086e+01 35.755  1.63986e+00  1.18074e+00  0.00000e+00 0.00000e+00 6.66080e+00 35.755  5.79478e+01 215.755 0.7011 
1 1 1 3  28 12 o 4  4.24923e+01 1.79324e+01 1.51915e+01 151.018 -4.05447e-01 2.24577e-01  0.00000e+00 0.00000e+00 5.03763e+00 151.018 1.01538e+01 331.018 0.2257 
1 1 1 3  28 13 o 13 5.76954e+01 2.40411e+01 7.64485e+01 68.739  1.10884e+00  2.84970e+00  0.00000e+00 0.00000e+00 2.32432e+01 68.739  5.32053e+01 248.739 0.8142 
1 1 1 3  28 14 o 15 6.23077e+01 2.59185e+01 6.47506e+01 270.555 2.74911e-02  -2.83650e+00 0.00000e+00 0.00000e+00 4.13791e+01 270.555 2.33715e+01 90.555  0.7971 
1 1 1 3  28 15 o 17 5.45354e+01 2.45933e+01 3.25563e+01 128.197 -8.42949e-01 1.07132e+00  0.00000e+00 0.00000e+00 3.32323e+01 128.197 6.76020e-01 128.197 0.5604 
1 1 1 3  28 16 o 18 5.32462e+01 2.47978e+01 4.30982e+01 156.510 -1.79073e+00 7.78275e-01  0.00000e+00 0.00000e+00 3.65834e+01 156.510 6.51475e+00 336.510 0.6898 
1 1 1 3  28 17 o 12 5.36814e+01 2.18026e+01 3.58526e+01 210.856 -1.65560e+00 -9.89113e-01 0.00000e+00 0.00000e+00 4.46657e+01 210.856 8.81311e+00 210.856 0.6857 
1 1 1 3  28 18 o 19 8.25550e+01 2.56720e+01 3.30613e+01 320.277 1.92863e+00  -1.60249e+00 0.00000e+00 0.00000e+00 1.06461e+02 320.277 7.33995e+01 320.277 0.7658 
1 1 1 3  28 19 o 14 7.44190e+01 2.61934e+01 5.42731e+01 298.896 1.74277e+00  -3.15753e+00 0.00000e+00 0.00000e+00 8.60507e+01 298.896 3.17777e+01 298.896 0.8465 
1 1 1 3  28 20 o 19 8.86298e+01 3.97568e+01 4.24299e+00 82.327  2.38803e-02  1.77251e-01  0.00000e+00 0.00000e+00 1.35159e+01 82.327  9.27290e+00 82.327  0.0891 
1 1 1 3  28 21 o 8  4.82344e+01 2.20698e+01 2.19195e+01 57.992  6.90561e-01  1.10478e+00  0.00000e+00 0.00000e+00 3.76655e+01 57.992  1.57460e+01 57.992  0.5435 
1 1 1 3  28 22 o 5  5.62134e+01 2.44227e+01 3.79986e+00 343.698 2.25827e-01  -6.60458e-02 0.00000e+00 0.00000e+00 1.12912e+01 343.698 7.49137e+00 343.698 0.1168 
1 1 1 3  28 23 f 0  4.69471e+01 2.23739e+01 2.58628e+01 154.125 -1.46756e+00 7.11819e-01  0.00000e+00 0.00000e+00 4.25346e+01 154.125 1.66718e+01 154.125 0.6269 
1 1 1 3  28 24 o 12 5.34119e+01 2.47848e+01 2.91991e+00 65.727  7.54297e-02  1.67272e-01  0.00000e+00 0.00000e+00 8.55584e+00 65.727  5.63592e+00 65.727  0.0914 
1 1 1 3  28 25 o 13 5.27257e+01 2.45516e+01 3.93495e+00 283.046 5.64415e-02  -2.43583e-01 0.00000e+00 0.00000e+00 1.16379e+01 283.046 7.70292e+00 283.046 0.1241 
1 1 1 3  28 26 o 12 3.93390e+01 1.96651e+01 1.43678e+01 211.115 -8.61153e-01 -5.19790e-01 0.00000e+00 0.00000e+00 2.81803e+01 211.115 1.38125e+01 211.115 0.4485 
1 1 1 3  29 0  o 9  4.17989e+01 2.77553e+01 3.87404e+01 90.000  -4.58157e-08 5.24071e-01  0.00000e+00 0.00000e+00 3.39563e+00 90.000  3.53447e+01 270.000 0.4808 
1 1 1 3  29 1  o 15 4.61210e+01 2.25497e+01 3.89662e+01 162.183 -1.02146e+00 3.28296e-01  0.00000e+00 0.00000e+00 6.64820e+00 162.183 3.23180e+01 342.183 0.4716 
1 1 1 3  29 2  o 16 6.08248e+01 2.48509e+01 2.60095e+01 18.618  8.36641e-01  2.81854e-01  0.00000e+00 0.00000e+00 2.54758e+01 18.618  5.33677e-01 198.618 0.4033 
1 1 1 3  29 3  o 11 2.79661e+01 1.38602e+01 7.73943e+00 354.413 1.59654e-01  -1.56173e-02 0.00000e+00 0.00000e+00 3.04121e+00 174.413 1.07806e+01 174.413 0.0800 
1 1 1 3  29 4  o 15 1.00949e+02 2.19665e+01 4.43386e+01 70.570  9.86012e-01  2.79525e+00  0.00000e+00 0.00000e+00 1.27207e+02 70.570  8.28681e+01 70.570  0.8073 
1 1 1 3  29 5  o 11 7.40163e+01 2.21939e+01 5.57739e+01 102.829 -6.00232e-01 2.63568e+00  0.00000e+00 0.00000e+00 6.68707e+01 102.829 1.10968e+01 102.829 0.7854 
1 1 1 3  29 6  o 6  5.41393e+01 2.47258e+01 1.32682e+02 272.007 1.56304e-01  -4.45983e+00 0.00000e+00 0.00000e+00 3.19787e+01 92.007  1.64661e+02 92.007  0.8792 
1 1 1 3  29 7  o 18 4.05014e+01 1.97169e+01 1.15350e+02 266.925 -1.81228e-01 -3.37385e+00 0.00000e+00 0.00000e+00 4.36107e+01 86.925  1.58961e+02 86.925  0.8345 
1 1 1 3  29 8  o 14 4.45180e+01 2.10198e+01 7.67455e+01 142.298 -1.72044e+00 1.32980e+00  0.00000e+00 0.00000e+00 8.03240e+00 322.298 8.47779e+01 322.298 0.7244 
1 1 1 3  29 9  o 5  4.22660e+01 1.81574e+01 3.24878e+01 81.914  1.38614e-01  9.75653e-01  0.00000e+00 0.00000e+00 7.41469e+00 81.914  2.50731e+01 261.914 0.4412 
1 1 1 3  29 10 o 1  4.68015e+01 1.95281e+01 4.10698e+01 161.378 -1.48540e+00 5.00516e-01  0.00000e+00 0.00000e+00 2.05497e+01 161.378 2.05201e+01 341.378 0.6124 
1 1 1 3  29 11 o 3  3.16757e+01 1.49232e+01 1.95473e+01 144.517 -5.12873e-01 3.65598e-01  0.00000e+00 0.00000e+00 1.01080e+00 144.517 1.85365e+01 324.517 0.3003 
1 1 1 3  29 12 o 10 3.53275e+01 1.58278e+01 8.05963e+01 322.376 2.32036e+00  -1.78846e+00 0.00000e+00 0.00000e+00 1.87976e+01 142.376 9.93939e+01 142.376 0.8046 
1 1 1 3  29 13 o 18 7.03717e+01 2.16034e+01 5.26863e+01 191.720 -3.41900e+00 -7.09258e-01 0.00000e+00 0.00000e+00 7.67411e+01 191.720 2.40548e+01 191.720 0.8407 
1 1 1 3  29 14 o 18 5.82124e+01 2.52897e+01 4.22484e+01 36.724  1.63321e+00  1.21841e+00  0.00000e+00 0.00000e+00 4.80037e+01 36.724  5.75531e+00 36.724  0.7039 
1 1 1 3  29 15 o 18 4.95600e+01 1.96997e+01 3.90505e+01 89.499  1.87454e-02  2.14467e+00  0.00000e+00 0.00000e+00 4.01447e+01 89.499  1.09419e+00 89.499  0.7202 
1 1 1 3  29 16 o 12 6.16806e+01 2.77002e+01 3.84674e+01 176.044 -1.94993e+00 1.34852e-01  0.00000e+00 0.00000e+00 5.67323e+01 176.044 1.82649e+01 176.044 0.6902 
1 1 1 3  29 17 o 8  5.37715e+01 2.66560e+01 3.74909e+01 262.221 -2.37044e-01 -1.73518e+00 0.00000e+00 0.00000e+00 4.16154e+01 262.221 4.12457e+00 262.221 0.6524 
1 1 1 3  29 18 o 13 3.68741e+01 1.74149e+01 1.28047e+01 46.950  4.75821e-01  5.09362e-01  0.00000e+00 0.00000e+00 1.47886e+01 46.950  1.98394e+00 46.950  0.3289 
1 1 1 3  29 19 o 7  6.61393e+01 2.52452e+01 9.98893e+00 338.248 5.93632e-01  -2.36862e-01 0.00000e+00 0.00000e+00 3.62254e+01 338.248 2.62365e+01 338.248 0.3043 
1 1 1 3  29 20 o 7  3.19482e+01 1.56745e+01 1.38644e+01 88.842  1.81121e-02  8.96394e-01  0.00000e+00 0.00000e+00 1.64039e+01 88.842  2.53943e+00 88.842  0.4085 
1 1 1 3  29 21 o 3  5.86652e+01 2.93294e+01 3.34877e+01 146.357 -1.32765e+00 8.83507e-01  0.00000e+00 0.00000e+00 5.15573e+01 146.357 1.80696e+01 146.357 0.6187 
1 1 1 3  29 22 o 18 6.07034e+01 2.57812e+01 1.22824e+01 260.587 -1.27684e-01 -7.70208e-01 0.00000e+00 0.00000e+00 3.99622e+01 260.587 2.76798e+01 260.587 0.3634 
1 1 1 3  29 23 o 2  5.34254e+01 2.45888e+01 2.72758e+01 313.478 1.17516e+00  -1.23933e+00 0.00000e+00 0.00000e+00 5.50839e+01 313.478 2.78082e+01 313.478 0.6435 
1 1 1 3  29 24 o 13 4.56429e+01 2.18816e+01 1.30210e+01 296.400 3.82161e-01  -7.69844e-01 0.00000e+00 0.00000e+00 3.06183e+01 296.400 1.75973e+01 296.400 0.3944 
1 1 1 3  30 0  f 0  4.60837e+01 2.98997e+01 9.25158e+01 90.000  -1.18641e-07 1.35710e+00  0.00000e+00 0.00000e+00 5.20564e+00 270.000 9.77214e+01 270.000 0.8757 
1 1 1 3  30 1  o 1  8.29719e+01 3.22462e+01 2.01317e+01 267.360 -3.47643e-02 -7.54010e-01 0.00000e+00 0.00000e+00 4.32241e+01 267.360 2.30923e+01 267.360 0.3529 
1 1 1 3  30 2  o 5  3.84734e+01 1.83980e+01 1.54702e+01 345.991 4.16238e-01  -1.03853e-01 0.00000e+00 0.00000e+00 2.00299e+00 345.991 1.34673e+01 165.991 0.2097 
1 1 1 3  30 3  o 19 8.73995e+01 2.63619e+01 6.24928e+01 344.950 2.96801e+00  -7.98031e-01 0.00000e+00 0.00000e+00 9.20145e+01 344.950 2.95217e+01 344.950 0.8153 
1 1 1 3  30 4  o 8  3.93228e+01 1.81287e+01 1.51583e+01 232.610 -2.61437e-01 -3.42074e-01 0.00000e+00 0.00000e+00 2.81631e+00 232.610 1.23420e+01 52.610  0.2104 
1 1 1 3  30 5  o 17 8.27677e+01 2.42638e+01 7.21731e+01 164.048 -3.98129e+00 1.13802e+00  0.00000e+00 0.00000e+00 8.43699e+01 164.048 1.21968e+01 164.048 0.8687 
1 1 1 3  30 6  o 5  7.37590e+01 3.14682e+01 5.61685e+01 96.208  -2.37357e-01 2.18225e+00  0.00000e+00 0.00000e+00 6.09576e+01 96.208  4.78918e+00 96.208  0.7273 
1 1 1 3  30 7  o 4  5.78459e+01 2.47537e+01 3.42809e+01 286.762 4.08080e-01  -1.35488e+00 0.00000e+00 0.00000e+00 3.84992e+01 286.762 4.21833e+00 286.762 0.5744 
1 1 1 3  30 8  o 9  4.04474e+01 1.95552e+01 8.52451e+01 240.431 -1.53845e+00 -2.71158e+00 0.00000e+00 0.00000e+00 1.24715e+01 60.431  9.77166e+01 60.431  0.8183 
1 1 1 3  30 9  f 0  4.28949e+01 2.03434e+01 8.25421e+01 69.240  1.09298e+00  2.88339e+00  0.00000e+00 0.00000e+00 5.25466e+00 249.240 8.77968e+01 249.240 0.8160 
1 1 1 3  30 10 f 0  4.07469e+01 1.82956e+01 5.39769e+01 20.835  2.04059e+00  7.76555e-01  0.00000e+00 0.00000e+00 1.16310e+01 20.835  4.23459e+01 200.834 0.7257 
1 1 1 3  30 11 o 13 4.13841e+01 1.82436e+01 5.15725e+01 208.773 -2.16256e+00 -1.18757e+00 0.00000e+00 0.00000e+00 1.87086e+01 208.773 3.28639e+01 28.773  0.7614 
1 1 1 3  30 12 o 10 3.94495e+01 1.73736e+01 1.85449e+01 148.884 -7.81867e-01 4.71943e-01  0.00000e+00 0.00000e+00 1.81679e+01 148.884 3.76956e-01 328.884 0.4148 
1 1 1 3  30 13 o 12 3.73750e+01 1.64634e+01 2.82865e+01 238.789 -7.85812e-01 -1.29696e+00 0.00000e+00 0.00000e+00 2.23565e+01 238.789 5.93000e+00 58.789  0.6002 
1 1 1 3  30 14 o 9  2.61230e+01 1.27390e+01 1.66940e+01 7.347   8.06213e-01  1.03947e-01  0.00000e+00 0.00000e+00 5.64435e+00 7.347   1.10497e+01 187.347 0.3762 
1 1 1 3  30 15 o 12 3.55725e+01 1.60123e+01 1.34149e+01 15.194  7.20593e-01  1.95699e-01  0.00000e+00 0.00000e+00 1.50557e+01 15.194  1.64079e+00 15.194  0.3495 
1 1 1 3  30 16 o 4  5.43616e+01 2.12152e+01 2.42946e+01 258.550 -3.09520e-01 -1.52819e+00 0.00000e+00 0.00000e+00 5.22864e+01 258.550 2.79918e+01 258.550 0.6104 
1 1 1 3  30 17 o 15 5.97345e+01 2.94523e+01 2.58117e+01 52.913  7.11653e-01  9.41417e-01  0.00000e+00 0.00000e+00 4.46060e+01 52.913  1.87944e+01 52.913  0.5066 
1 1 1 3  30 18 o 14 6.38017e+01 3.12504e+01 1.47491e+01 105.158 -1.81998e-01 6.71809e-01  0.00000e+00 0.00000e+00 3.44567e+01 105.158 1.97076e+01 105.158 0.3285 
1 1 1 3  30 19 o 17 8.77419e+01 2.77397e+01 2.09199e+01 331.214 1.42136e+00  -7.80935e-01 0.00000e+00 0.00000e+00 1.08994e+02 331.214 8.80736e+01 331.214 0.6248 
1 1 1 3  30 20 o 10 6.02073e+01 2.45675e+01 5.60307e+00 122.336 -2.04901e-01 3.23673e-01  0.00000e+00 0.00000e+00 2.15001e+01 122.336 1.58970e+01 122.336 0.1881 
1 1 1 3  30 21 o 12 5.52912e+01 2.79560e+01 1.89551e+01 194.808 -9.47910e-01 -2.50586e-01 0.00000e+00 0.00000e+00 3.97930e+01 194.808 2.08379e+01 194.808 0.4394 
1 1 1 3  30 22 o 8  3.81423e+01 1.85133e+01 1.31198e+01 140.191 -7.14656e-01 5.95626e-01  0.00000e+00 0.00000e+00 2.61457e+01 140.191 1.30259e+01 140.191 0.4212 
1 1 1 3  30 23 o 9  4.56187e+01 2.15550e+01 2.54344e+00 160.641 -1.63966e-01 5.76085e-02  0.00000e+00 0.00000e+00 7.21984e+00 160.641 4.67640e+00 160.641 0.0866 
1 1 1 3  31 0  o 6  4.79897e+01 3.01078e+01 1.71765e+01 90.000  -3.04296e-08 3.48073e-01  0.00000e+00 0.00000e+00 1.87187e+01 90.000  1.54221e+00 90.000  0.3347 
1 1 1 3  31 1  o 2  4.77998e+01 2.11360e+01 3.15444e+01 33.822  1.06404e+00  7.12899e-01  0.00000e+00 0.00000e+00 2.58489e+01 33.822  5.69559e+00 213.822 0.5371 
1 1 1 3  31 2  o 4  4.25650e+01 2.06884e+01 1.60986e+01 317.175 4.34117e-01  -4.02346e-01 0.00000e+00 0.00000e+00 1.09179e+01 317.175 5.18071e+00 137.175 0.2837 
1 1 1 3  31 3  o 7  3.87979e+01 1.83591e+01 1.03789e+01 332.933 3.38892e-01  -1.73170e-01 0.00000e+00 0.00000e+00 5.86658e+00 332.933 4.51232e+00 152.933 0.1869 
1 1 1 3  31 4  o 9  5.61170e+01 2.24512e+01 8.97472e+00 169.840 -4.17234e-01 7.47734e-02  0.00000e+00 0.00000e+00 1.71326e+01 169.840 8.15791e+00 169.840 0.2073 
1 1 1 3  31 5  o 6  1.10285e+02 2.31801e+01 5.27678e+01 251.257 -1.52085e+00 -4.48218e+00 0.00000e+00 0.00000e+00 1.67201e+02 251.257 1.14433e+02 251.257 0.8868 
1 1 1 3  31 6  o 7  6.84931e+01 3.04424e+01 5.89917e+01 316.579 1.85524e+00  -1.75572e+00 0.00000e+00 0.00000e+00 6.00762e+01 316.579 1.08453e+00 316.579 0.7708 
1 1 1 3  31 7  o 8  6.39924e+01 2.90963e+01 8.44662e+01 118.653 -1.73036e+00 3.16677e+00  0.00000e+00 0.00000e+00 3.81203e+01 118.653 4.63460e+01 298.653 0.8466 
1 1 1 3  31 8  o 15 4.07702e+01 1.80001e+01 3.13672e+01 110.866 -5.31193e-01 1.39356e+00  0.00000e+00 0.00000e+00 2.36387e+01 110.866 7.72857e+00 290.866 0.5940 
1 1 1 3  31 9  o 3  3.82850e+01 1.77233e+01 1.56467e+01 186.547 -7.29861e-01 -8.37631e-02 0.00000e+00 0.00000e+00 1.44467e+01 186.547 1.19998e+00 6.547   0.3446 
1 1 1 3  31 10 o 14 5.75312e+01 2.35699e+01 3.11318e+01 206.871 -1.56277e+00 -7.91844e-01 0.00000e+00 0.00000e+00 5.49150e+01 206.871 2.37832e+01 206.871 0.6525 
1 1 1 3  31 11 o 7  3.59258e+01 1.66341e+01 4.79765e+01 325.895 2.14614e+00  -1.45332e+00 0.00000e+00 0.00000e+00 1.61494e+01 325.895 3.18272e+01 145.895 0.7746 
1 1 1 3  31 12 o 3  5.18999e+01 2.23653e+01 3.38392e+01 94.245  -1.37616e-01 1.85414e+00  0.00000e+00 0.00000e+00 4.71432e+01 94.245  1.33040e+01 94.245  0.6732 
1 1 1 3  31 13 o 14 5.96483e+01 2.53186e+01 4.46199e+01 163.962 -2.39418e+00 6.88251e-01  0.00000e+00 0.00000e+00 6.16705e+01 163.962 1.70506e+01 163.962 0.7640 
1 1 1 3  31 14 o 19 7.55681e+01 2.91192e+01 1.02912e+01 335.244 5.40478e-01  -2.49229e-01 0.00000e+00 0.00000e+00 4.03081e+01 335.244 3.00169e+01 335.244 0.2851 
1 1 1 3  31 15 f 0  3.99205e+01 1.74020e+01 2.98477e+01 212.060 -1.54960e+00 -9.70563e-01 0.00000e+00 0.00000e+00 3.31843e+01 212.060 3.33653e+00 212.060 0.6675 
1 1 1 3  31 16 o 16 9.07383e+01 2.33139e+01 3.36225e+01 329.947 3.10421e+00  -1.79608e+00 0.00000e+00 0.00000e+00 1.49277e+02 329.947 1.15655e+02 329.947 0.8455 
1 1 1 3  31 17 o 2  6.23292e+01 2.37220e+01 2.35994e+01 334.546 1.48705e+00  -7.07821e-01 0.00000e+00 0.00000e+00 7.08591e+01 334.546 4.72598e+01 334.546 0.6304 
1 1 1 3  31 18 o 6  6.62565e+01 3.25542e+01 9.80437e+00 181.345 -4.50689e-01 -1.05798e-02 0.00000e+00 0.00000e+00 2.55262e+01 181.345 1.57218e+01 181.345 0.2199 
1 1 1 3  31 19 o 2  5.86845e+01 2.93699e+01 1.84608e+01 157.666 -8.21704e-01 3.37576e-01  0.00000e+00 0.00000e+00 3.97837e+01 157.666 2.13229e+01 157.666 0.4054 
1 1 1 3  31 20 o 9  3.48348e+01 1.69377e+01 1.22207e+01 126.749 -5.30384e-01 7.10284e-01  0.00000e+00 0.00000e+00 2.26331e+01 126.749 1.04124e+01 126.749 0.4047 
1 1 1 3  31 21 o 14 5.31928e+01 2.34069e+01 2.42724e+01 356.471 1.66105e+00  -1.02444e-01 0.00000e+00 0.00000e+00 5.99916e+01 356.471 3.57193e+01 356.471 0.6342 
1 1 1 3  32 0  o 17 2.95584e+01 2.09442e+01 4.27452e+01 270.000 7.86710e-08  -8.99891e-01 0.00000e+00 0.00000e+00 6.18837e+00 270.000 3.65568e+01 90.000  0.7162 
1 1 1 3  32 1  o 19 3.69487e+01 1.76237e+01 2.07405e+01 298.910 4.58632e-01  -8.30467e-01 0.00000e+00 0.00000e+00 1.58131e+01 298.910 4.92735e+00 118.910 0.4279 
1 1 1 3  32 2  o 12 5.88662e+01 2.64865e+01 3.32889e+01 193.111 -1.51362e+00 -3.52533e-01 0.00000e+00 0.00000e+00 4.96868e+01 193.111 1.63979e+01 193.111 0.6092 
1 1 1 3  32 3  o 18 5.62567e+01 2.35574e+01 2.36832e+01 301.523 6.37259e-01  -1.03899e+00 0.00000e+00 0.00000e+00 4.39007e+01 301.523 2.02175e+01 301.523 0.5186 
1 1 1 3  32 4  o 16 1.00907e+02 2.64196e+01 6.10026e+01 95.022  -4.27100e-01 4.86051e+00  0.00000e+00 0.00000e+00 1.47531e+02 95.022  8.65279e+01 95.022  0.8905 
1 1 1 3  32 5  o 14 8.08712e+01 2.55034e+01 6.70806e+01 224.393 -3.41277e+00 -3.34124e+00 0.00000e+00 0.00000e+00 9.99395e+01 224.393 3.28589e+01 224.393 0.8879 
1 1 1 3  32 6  o 12 4.92571e+01 2.40369e+01 2.45786e+01 340.944 1.08468e+00  -3.74680e-01 0.00000e+00 0.00000e+00 3.24337e+01 340.944 7.85512e+00 340.944 0.4962 
1 1 1 3  32 8  o 8  6.25725e+01 2.92603e+01 7.02165e+01 63.418  1.44150e+00  2.88082e+00  0.00000e+00 0.00000e+00 5.10571e+01 63.418  1.91594e+01 243.418 0.8251 
1 1 1 3  32 9  o 4  5.24091e+01 2.17551e+01 3.00925e+01 53.528  1.04935e+00  1.41957e+00  0.00000e+00 0.00000e+00 5.09153e+01 53.528  2.08228e+01 53.528  0.6552 
1 1 1 3  32 10 o 11 4.50996e+01 2.05330e+01 8.16211e+01 244.220 -1.96176e+00 -4.06171e+00 0.00000e+00 0.00000e+00 1.25220e+01 244.220 6.90991e+01 64.220  0.8806 
1 1 1 3  32 11 o 3  5.33147e+01 2.24870e+01 2.97286e+01 96.236  -1.89476e-01 1.73411e+00  0.00000e+00 0.00000e+00 5.29807e+01 96.236  2.32522e+01 96.236  0.6510 
1 1 1 3  32 12 o 13 4.14809e+01 1.93414e+01 3.53024e+01 100.850 -3.74278e-01 1.95274e+00  0.00000e+00 0.00000e+00 3.38796e+01 100.850 1.42279e+00 280.850 0.6958 
1 1 1 3  32 13 o 5  4.50107e+01 2.11232e+01 2.33638e+01 314.909 9.49589e-01  -9.52622e-01 0.00000e+00 0.00000e+00 3.69369e+01 314.909 1.35731e+01 314.909 0.5554 
1 1 1 3  32 14 o 8  5.78469e+01 2.57816e+01 7.67304e+00 83.042  5.29108e-02  4.33531e-01  0.00000e+00 0.00000e+00 2.22949e+01 83.042  1.46219e+01 83.042  0.2133 
1 1 1 3  32 15 o 13 6.87265e+01 3.31608e+01 3.48563e+01 205.323 -1.38890e+00 -6.57211e-01 0.00000e+00 0.00000e+00 6.68654e+01 205.323 3.20091e+01 205.323 0.6050 
1 1 1 3  32 16 o 10 2.21386e+01 1.08511e+01 1.08559e+01 77.929  1.68190e-01  7.86462e-01  0.00000e+00 0.00000e+00 9.49049e+00 77.929  1.36537e+00 257.929 0.3728 
1 1 1 3  32 17 o 5  3.51660e+01 1.59054e+01 1.71078e+01 343.928 1.21520e+00  -3.50111e-01 0.00000e+00 0.00000e+00 2.94327e+01 343.928 1.23249e+01 343.928 0.5323 
1 1 1 3  32 18 o 8  5.98396e+01 2.79687e+01 8.18645e+00 12.959  4.32198e-01  9.94581e-02  0.00000e+00 0.00000e+00 2.43022e+01 12.959  1.61157e+01 12.959  0.2165 
1 1 1 3  32 19 o 16 4.55198e+01 2.27846e+01 2.25117e+01 162.462 -1.28007e+00 4.04550e-01  0.00000e+00 0.00000e+00 4.14131e+01 162.462 1.89014e+01 162.462 0.5547 
1 1 1 3  32 20 o 11 4.97570e+01 2.47402e+01 1.37084e+01 193.605 -7.59718e-01 -1.83862e-01 0.00000e+00 0.00000e+00 3.25618e+01 193.605 1.88534e+01 193.605 0.3637 
1 1 1 3  33 0  o 16 4.29029e+01 2.81303e+01 8.77091e+00 270.000 -1.39199e-17 -2.27328e-01 0.00000e+00 0.00000e+00 1.41727e+01 270.000 5.40183e+00 270.000 0.2235 
1 1 1 3  33 1  o 8  6.50391e+01 2.50145e+01 6.48564e+00 238.585 -2.03944e-01 -3.33920e-01 0.00000e+00 0.00000e+00 2.34005e+01 238.585 1.69148e+01 238.585 0.1920 
1 1 1 3  33 2  o 11 4.16067e+01 2.05473e+01 9.89264e+00 144.334 -4.00348e-01 2.87319e-01  0.00000e+00 0.00000e+00 1.39459e+01 144.334 4.05325e+00 144.334 0.2392 
1 1 1 3  33 3  o 10 5.37282e+01 2.31366e+01 5.46594e+00 251.235 -9.71768e-02 -2.86022e-01 0.00000e+00 0.00000e+00 1.37777e+01 251.235 8.31172e+00 251.235 0.1493 
1 1 1 3  33 4  o 1  6.93875e+01 2.64636e+01 6.18029e+01 195.085 -3.53160e+00 -9.51918e-01 0.00000e+00 0.00000e+00 7.97184e+01 195.085 1.79155e+01 195.085 0.8489 
1 1 1 3  33 5  o 16 6.10987e+01 2.38062e+01 5.41686e+01 355.241 3.31885e+00  -2.76310e-01 0.00000e+00 0.00000e+00 6.81984e+01 355.241 1.40299e+01 355.241 0.8317 
1 1 1 3  33 6  o 7  3.16034e+01 1.54014e+01 4.38584e+01 97.311  -2.94429e-01 2.29473e+00  0.00000e+00 0.00000e+00 1.28488e+01 97.311  3.10096e+01 277.311 0.7431 
1 1 1 3  33 7  o 6  4.94753e+01 2.44682e+01 2.75787e+01 211.856 -1.12867e+00 -7.01342e-01 0.00000e+00 0.00000e+00 3.84494e+01 211.856 1.08708e+01 211.856 0.5509 
1 1 1 3  33 8  o 11 6.41556e+01 2.34456e+01 4.68509e+01 302.268 1.68645e+00  -2.67098e+00 0.00000e+00 0.00000e+00 8.12467e+01 302.268 3.43958e+01 302.268 0.8211 
1 1 1 3  33 9  o 11 4.83144e+01 2.07954e+01 1.88655e+01 253.536 -3.36838e-01 -1.13977e+00 0.00000e+00 0.00000e+00 4.12181e+01 253.536 2.23526e+01 253.536 0.5092 
1 1 1 3  33 10 f 0  3.26845e+01 1.57880e+01 2.69644e+01 25.136  1.58986e+00  7.45950e-01  0.00000e+00 0.00000e+00 2.54411e+01 25.136  1.52329e+00 205.136 0.6534 
1 1 1 3  33 11 o 5  4.60331e+01 2.05454e+01 3.01232e+01 81.331  2.87641e-01  1.88664e+00  0.00000e+00 0.00000e+00 4.73437e+01 81.331  1.72206e+01 81.331  0.6821 
1 1 1 3  33 12 o 3  4.42127e+01 2.03031e+01 2.58097e+01 242.576 -7.28226e-01 -1.40345e+00 0.00000e+00 0.00000e+00 4.17212e+01 242.576 1.59115e+01 242.576 0.6156 
1 1 1 3  33 13 o 10 5.34579e+01 2.37881e+01 1.05202e+01 118.298 -2.98748e-01 5.54889e-01  0.00000e+00 0.00000e+00 2.95824e+01 118.298 1.90622e+01 118.298 0.3004 
1 1 1 3  33 14 o 11 4.49541e+01 2.16003e+01 2.58498e+01 89.926  2.01759e-03  1.56103e+00  0.00000e+00 0.00000e+00 4.31890e+01 89.926  1.73392e+01 89.926  0.6109 
1 1 1 3  33 15 o 2  5.54661e+01 2.77491e+01 1.24927e+01 333.033 5.64719e-01  -2.87333e-01 0.00000e+00 0.00000e+00 2.99158e+01 333.033 1.74232e+01 333.033 0.3019 
1 1 1 3  33 16 f 0  4.85846e+01 2.47551e+01 2.08460e+01 282.163 2.38298e-01  -1.10566e+00 0.00000e+00 0.00000e+00 4.00298e+01 282.163 1.91837e+01 282.163 0.4909 
1 1 1 3  33 17 o 15 4.90558e+01 2.27805e+01 1.71465e+01 296.573 4.87142e-01  -9.73934e-01 0.00000e+00 0.00000e+00 4.30817e+01 296.573 2.59351e+01 296.573 0.4770 
1 1 1 3  33 18 o 17 3.86460e+01 1.72853e+01 2.13660e+01 80.767  2.77955e-01  1.70983e+00  0.00000e+00 0.00000e+00 4.37124e+01 80.767  2.23464e+01 80.767  0.6485 
1 1 1 3  34 0  o 2  7.65383e+01 3.84221e+01 3.67760e+00 90.000  7.21074e-18  1.17760e-01  0.00000e+00 0.00000e+00 1.85711e+01 90.000  1.48935e+01 90.000  0.1172 
1 1 1 3  34 1  o 15 4.59769e+01 2.08709e+01 1.05427e+01 204.997 -5.35598e-01 -2.49716e-01 0.00000e+00 0.00000e+00 2.17647e+01 204.997 1.12220e+01 204.997 0.2833 
1 1 1 3  34 2  o 3  6.05029e+01 2.80477e+01 1.55210e+01 81.387  1.16089e-01  7.66439e-01  0.00000e+00 0.00000e+00 3.87158e+01 81.387  2.31949e+01 81.387  0.3611 
1 1 1 3  34 3  o 12 3.72723e+01 1.80187e+01 5.80341e+01 70.842  1.11108e+00  3.19809e+00  0.00000e+00 0.00000e+00 1.93111e+01 70.842  3.87230e+01 250.842 0.8349 
1 1 1 3  34 4  o 1  5.33788e+01 2.31406e+01 4.31673e+01 253.056 -7.43964e-01 -2.44196e+00 0.00000e+00 0.00000e+00 5.92536e+01 253.056 1.60863e+01 253.056 0.7706 
1 1 1 3  34 5  o 8  5.26293e+01 2.25888e+01 5.40088e+00 206.066 -3.07753e-01 -1.50539e-01 0.00000e+00 0.00000e+00 1.67737e+01 206.066 1.13728e+01 206.066 0.1688 
1 1 1 3  34 6  f 0  7.75471e+01 2.71181e+01 2.96673e+01 72.247  6.29803e-01  1.96710e+00  0.00000e+00 0.00000e+00 1.07773e+02 72.247  7.81060e+01 72.247  0.7082 
1 1 1 3  34 7  f 0  8.38820e+01 3.63247e+01 2.17710e+01 318.642 7.37210e-01  -6.48975e-01 0.00000e+00 0.00000e+00 7.09013e+01 318.642 4.91304e+01 318.642 0.4400 
1 1 1 3  34 8  o 7  4.02419e+01 1.84240e+01 4.76089e+00 149.984 -2.61478e-01 1.51063e-01  0.00000e+00 0.00000e+00 1.03802e+01 149.984 5.61932e+00 149.984 0.1493 
1 1 1 3  34 9  o 4  4.36334e+01 1.97077e+01 2.57159e+01 196.284 -1.59846e+00 -4.66928e-01 0.00000e+00 0.00000e+00 4.43472e+01 196.284 1.86313e+01 196.284 0.6344 
1 1 1 3  34 10 f 0  6.15103e+01 2.39455e+01 1.31834e+01 153.337 -8.25586e-01 4.14552e-01  0.00000e+00 0.00000e+00 5.23223e+01 153.337 3.91389e+01 153.337 0.4187 
1 1 1 3  34 11 o 7  4.05549e+01 1.87674e+01 1.06261e+01 178.533 -7.11225e-01 1.82133e-02  0.00000e+00 0.00000e+00 2.41057e+01 178.533 1.34796e+01 178.533 0.3350 
1 1 1 3  34 12 o 10 3.45574e+01 1.67386e+01 9.41338e+00 335.812 6.22407e-01  -2.79560e-01 0.00000e+00 0.00000e+00 1.92664e+01 335.812 9.85306e+00 335.812 0.3227 
1 1 1 3  34 13 f 0  4.37630e+01 2.23618e+01 1.44704e+01 348.261 8.08768e-01  -1.68064e-01 0.00000e+00 0.00000e+00 2.87216e+01 348.261 1.42512e+01 348.261 0.3814 
1 1 1 3  34 14 o 7  5.05075e+01 2.55665e+01 5.95598e+00 273.347 1.82244e-02  -3.11656e-01 0.00000e+00 0.00000e+00 1.43395e+01 273.347 8.38348e+00 273.347 0.1542 
1 1 1 3  34 15 o 17 4.44448e+01 2.27638e+01 7.10575e+00 187.976 -4.07488e-01 -5.70974e-02 0.00000e+00 0.00000e+00 1.63995e+01 187.976 9.29377e+00 187.976 0.2015 
1 1 1 3  35 0  f 0  4.86909e+01 3.07736e+01 2.36985e+01 90.000  4.48153e-17  7.31890e-01  0.00000e+00 0.00000e+00 5.44985e+01 90.000  3.08000e+01 90.000  0.6242 
1 1 1 3  35 1  o 15 4.05864e+01 1.92318e+01 3.35365e+01 302.578 1.11865e+00  -1.75070e+00 0.00000e+00 0.00000e+00 4.06325e+01 302.578 7.09597e+00 302.578 0.7101 
1 1 1 3  35 2  o 16 4.41892e+01 2.06818e+01 1.25686e+01 242.633 -3.49639e-01 -6.75486e-01 0.00000e+00 0.00000e+00 2.78565e+01 242.633 1.52879e+01 242.633 0.3552 
1 1 1 3  35 3  o 3  3.77637e+01 1.82503e+01 1.09903e+01 142.576 -5.41122e-01 4.14072e-01  0.00000e+00 0.00000e+00 2.03981e+01 142.576 9.40777e+00 142.576 0.3223 
1 1 1 3  35 4  o 4  4.52472e+01 2.08995e+01 4.28531e+01 12.344  2.54517e+00  5.56985e-01  0.00000e+00 0.00000e+00 4.78468e+01 12.344  4.99362e+00 12.344  0.7760 
1 1 1 3  35 5  o 8  3.70283e+01 1.79036e+01 9.11003e+00 237.508 -3.22810e-01 -5.06875e-01 0.00000e+00 0.00000e+00 1.84690e+01 237.508 9.35894e+00 237.508 0.2877 
1 1 1 3  35 6  o 13 5.33089e+01 2.30782e+01 3.00915e+01 201.535 -1.78008e+00 -7.02452e-01 0.00000e+00 0.00000e+00 6.44485e+01 201.535 3.43571e+01 201.535 0.6831 
1 1 1 3  35 7  o 12 5.32552e+01 2.63827e+01 2.24172e+01 335.887 1.02824e+00  -4.60235e-01 0.00000e+00 0.00000e+00 4.54761e+01 335.887 2.30589e+01 335.887 0.4894 
1 1 1 3  35 8  o 15 6.24205e+01 2.46555e+01 3.32543e+00 333.426 2.04168e-01  -1.02126e-01 0.00000e+00 0.00000e+00 1.51833e+01 333.426 1.18578e+01 333.426 0.1134 
1 1 1 3  35 9  f 0  4.49330e+01 2.03018e+01 1.37189e+01 118.759 -4.50394e-01 8.20662e-01  0.00000e+00 0.00000e+00 3.62259e+01 118.759 2.25070e+01 118.759 0.4233 
1 1 1 3  35 10 o 4  3.88197e+01 1.80928e+01 5.37177e+00 325.420 3.17028e-01  -2.18537e-01 0.00000e+00 0.00000e+00 1.39912e+01 325.420 8.61940e+00 325.420 0.1890 
1 1 1 3  35 11 o 2  3.53201e+01 1.68943e+01 5.06078e+00 54.476  2.16627e-01  3.03427e-01  0.00000e+00 0.00000e+00 1.21068e+01 54.476  7.04606e+00 54.476  0.1832 
1 1 1 3  35 12 o 7  4.50274e+01 2.30317e+01 3.06734e+01 124.419 -9.83672e-01 1.43562e+00  0.00000e+00 0.00000e+00 4.74319e+01 124.419 1.67585e+01 124.419 0.6502 
1 1 1 3  35 13 o 7  5.61139e+01 2.81738e+01 1.58120e+01 13.203  7.50191e-01  1.75996e-01  0.00000e+00 0.00000e+00 3.83112e+01 13.203  2.24992e+01 13.203  0.3593 
1 1 1 3  36 0  o 8  3.85056e+01 2.63503e+01 1.81619e+01 270.000 -3.69671e-17 -6.03719e-01 0.00000e+00 0.00000e+00 3.73662e+01 270.000 1.92043e+01 270.000 0.5397 
1 1 1 3  36 1  o 18 3.22595e+01 1.60368e+01 1.55118e+01 353.987 1.08402e+00  -1.14184e-01 0.00000e+00 0.00000e+00 2.56480e+01 353.987 1.01361e+01 353.987 0.4774 
1 1 1 3  36 2  o 5  4.40514e+01 2.07479e+01 1.13320e+01 237.484 -3.88220e-01 -6.08998e-01 0.00000e+00 0.00000e+00 2.86631e+01 237.484 1.73311e+01 237.484 0.3394 
1 1 1 3  36 3  o 11 4.33847e+01 2.16117e+01 2.96947e+01 202.692 -1.60384e+00 -6.70639e-01 0.00000e+00 0.00000e+00 4.58039e+01 202.692 1.61092e+01 202.692 0.6498 
1 1 1 3  36 4  o 13 6.17464e+01 2.54275e+01 2.30693e+01 148.709 -1.24836e+00 7.58741e-01  0.00000e+00 0.00000e+00 7.40560e+01 148.709 5.09867e+01 148.709 0.5863 
1 1 1 3  36 5  o 14 5.69751e+01 2.46096e+01 4.94191e+01 347.949 2.98565e+00  -6.37386e-01 0.00000e+00 0.00000e+00 7.52613e+01 347.949 2.58421e+01 347.949 0.8138 
1 1 1 3  36 6  o 13 4.02034e+01 1.91131e+01 1.28698e+01 276.656 1.01373e-01  -8.68675e-01 0.00000e+00 0.00000e+00 3.05126e+01 276.656 1.76428e+01 276.656 0.4002 
1 1 1 3  36 7  o 18 5.24394e+01 2.61026e+01 5.03652e+01 152.755 -2.29972e+00 1.18416e+00  0.00000e+00 0.00000e+00 5.94518e+01 152.755 9.08666e+00 152.755 0.7741 
1 1 1 3  36 8  o 14 5.52041e+01 2.30086e+01 7.21503e+00 134.933 -3.50162e-01 3.50983e-01  0.00000e+00 0.00000e+00 2.88492e+01 134.933 2.16342e+01 134.933 0.2406 
1 1 1 3  36 9  o 19 3.81517e+01 1.78336e+01 1.94189e+01 284.262 3.52338e-01  -1.38616e+00 0.00000e+00 0.00000e+00 4.07629e+01 284.262 2.13440e+01 284.262 0.5784 
1 1 1 3  37 0  o 2  3.49603e+01 2.43913e+01 1.68170e+01 270.000 -3.62831e-17 -5.92548e-01 0.00000e+00 0.00000e+00 3.48260e+01 270.000 1.80090e+01 270.000 0.5317 
1 1 1 3  37 1  o 9  6.18966e+01 2.55601e+01 1.70389e+01 149.921 -9.21250e-01 5.33573e-01  0.00000e+00 0.00000e+00 6.35968e+01 149.921 4.65579e+01 149.921 0.4688 
1 1 1 3  37 2  o 16 3.29475e+01 1.63731e+01 1.14206e+01 114.057 -3.36575e-01 7.53948e-01  0.00000e+00 0.00000e+00 2.35092e+01 114.057 1.20886e+01 114.057 0.3812 
1 1 1 3  37 3  o 8  4.36575e+01 2.17835e+01 1.43908e+01 341.729 8.02180e-01  -2.64849e-01 0.00000e+00 0.00000e+00 3.28596e+01 341.729 1.84688e+01 341.729 0.3887 
1 1 1 4  0  4  o 5  1.70783e+03 4.97206e+01 1.11116e+03 0.000   1.58872e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.14271e+03 0.000   3.15552e+01 0.000   1.0000 
1 1 1 4  0  6  o 5  7.31217e+02 2.40020e+01 2.53889e+02 0.000   1.64497e+00  0.00000e+00  0.00000e+00 0.00000e+00 6.46326e+02 0.000   3.92436e+02 0.000   0.9282 
1 1 1 4  0  7  o 15 2.47485e+03 1.02519e+02 1.57428e+03 270.000 -2.29375e-15 -3.74598e+01 0.00000e+00 0.00000e+00 1.71914e+03 270.000 1.44850e+02 270.000 1.0000 
1 1 1 4  0  8  o 19 1.34116e+03 3.98150e+01 9.49164e+02 180.000 -1.82820e+01 0.00000e+00  0.00000e+00 0.00000e+00 8.42363e+02 180.000 1.06801e+02 0.000   1.0000 
1 1 1 4  0  9  o 1  1.00995e+03 3.10540e+01 7.14528e+02 90.000  5.61409e-16  9.16851e+00  0.00000e+00 0.00000e+00 6.40362e+02 90.000  7.41665e+01 270.000 1.0000 
1 1 1 4  0  10 o 14 2.49579e+03 7.21248e+01 1.58907e+03 0.000   4.74730e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.77522e+03 0.000   1.86148e+02 0.000   1.0000 
1 1 1 4  0  12 o 19 3.67448e+02 1.67277e+01 1.59486e+02 180.000 -1.53445e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.96871e+02 180.000 1.37386e+02 180.000 0.9112 
1 1 1 4  0  13 o 10 4.27718e+01 2.30627e+01 2.47314e+02 90.000  1.81905e-17  2.97074e-01  0.00000e+00 0.00000e+00 2.30381e+02 270.000 4.77696e+02 270.000 0.2886 
1 1 1 4  0  14 o 6  6.71643e+02 2.31283e+01 3.23588e+02 180.000 -7.91020e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.03960e+02 180.000 2.80372e+02 180.000 1.0000 
1 1 1 4  0  15 o 4  7.72612e+02 2.55760e+01 6.06604e+02 270.000 -1.30874e-15 -2.13734e+01 0.00000e+00 0.00000e+00 4.68216e+02 270.000 1.38388e+02 90.000  1.0000 
1 1 1 4  0  16 o 5  2.21858e+02 1.71470e+01 1.45653e+02 0.000   1.52041e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.37028e+02 0.000   8.62505e+00 180.000 0.9088 
1 1 1 4  0  17 f 0  1.18786e+02 2.41447e+01 3.24706e+02 90.000  1.35973e-16  2.22061e+00  0.00000e+00 0.00000e+00 1.60680e+02 270.000 4.85386e+02 270.000 0.9767 
1 1 1 4  0  18 o 19 5.27366e+01 2.89474e+01 1.26676e+02 180.000 -4.25800e-01 0.00000e+00  0.00000e+00 0.00000e+00 9.64526e+01 0.000   2.23129e+02 0.000   0.4018 
1 1 1 4  0  19 o 1  9.10712e+01 3.42246e+01 7.36572e+01 270.000 -3.25154e-17 -5.31017e-01 0.00000e+00 0.00000e+00 9.91499e+00 90.000  8.35722e+01 90.000  0.4862 
1 1 1 4  0  20 o 18 1.46571e+02 2.87363e+01 1.97551e+02 0.000   2.31505e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.14342e+01 0.000   1.86117e+02 180.000 0.9807 
1 1 1 4  0  21 o 11 1.69132e+02 4.81447e+01 1.60086e+02 270.000 -1.38977e-16 -2.26966e+00 0.00000e+00 0.00000e+00 8.31226e+01 270.000 7.69637e+01 90.000  0.9789 
1 1 1 4  0  22 o 13 1.16243e+02 3.96842e+01 4.73291e+01 0.000   5.16904e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.47210e+01 0.000   1.26081e+01 180.000 0.4753 
1 1 1 4  0  23 o 15 8.25793e+01 4.28086e+01 4.26232e+00 270.000 -2.22665e-18 -3.63639e-02 0.00000e+00 0.00000e+00 2.46044e-01 270.000 4.01627e+00 90.000  0.0363 
1 1 1 4  0  25 o 13 1.91638e+02 3.99648e+01 9.23882e+01 90.000  1.13755e-16  1.85776e+00  0.00000e+00 0.00000e+00 1.88488e+02 90.000  9.61000e+01 90.000  0.9525 
1 1 1 4  0  26 o 7  5.64423e+01 3.80460e+01 1.31104e+01 0.000   7.33439e-02  0.00000e+00  0.00000e+00 0.00000e+00 6.66938e+00 180.000 1.97798e+01 180.000 0.0732 
1 1 1 4  0  27 o 19 1.83105e+02 4.04524e+01 1.53341e+02 270.000 -2.22604e-16 -3.63540e+00 0.00000e+00 0.00000e+00 1.35506e+02 270.000 1.78353e+01 90.000  0.9986 
1 1 1 4  0  28 o 6  2.82816e+02 4.14169e+01 2.26598e+02 0.000   9.29370e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.26403e+02 0.000   1.95359e-01 180.000 1.0000 
1 1 1 4  0  29 o 11 1.46395e+02 5.79377e+01 8.37927e+01 90.000  1.17152e-16  1.91323e+00  0.00000e+00 0.00000e+00 1.43946e+02 90.000  6.01536e+01 90.000  0.9574 
1 1 1 4  0  30 o 13 1.08498e+02 5.39328e+01 1.43977e+02 180.000 -2.57202e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.28923e+01 180.000 1.11085e+02 0.000   0.9884 
1 1 1 4  0  31 o 2  7.27547e+01 4.24436e+01 1.06525e+02 270.000 -1.17696e-16 -1.92213e+00 0.00000e+00 0.00000e+00 1.02226e+01 270.000 9.63023e+01 90.000  0.9581 
1 1 1 4  0  32 o 6  5.86162e+01 3.74977e+01 1.58377e+01 180.000 -2.43435e-01 0.00000e+00  0.00000e+00 0.00000e+00 7.97545e+00 180.000 7.86230e+00 0.000   0.2387 
1 1 1 4  0  34 o 14 6.07423e+01 3.97012e+01 4.15120e+01 0.000   9.82341e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.90708e+01 0.000   2.44123e+00 180.000 0.7541 
1 1 1 4  0  35 o 10 3.79061e+01 2.74642e+01 2.52309e+01 270.000 -3.61500e-17 -5.90374e-01 0.00000e+00 0.00000e+00 1.07451e+01 270.000 1.44858e+01 90.000  0.5302 
1 1 1 4  0  36 o 16 5.45255e+01 3.77325e+01 1.54349e+01 0.000   4.09623e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.31369e+01 0.000   7.70194e+00 0.000   0.3882 
1 1 1 4  0  37 o 19 4.38388e+01 3.16183e+01 6.53755e+00 90.000  1.17866e-17  1.92490e-01  0.00000e+00 0.00000e+00 8.93674e+00 90.000  2.39919e+00 90.000  0.1901 
1 1 1 4  0  38 o 3  5.26253e+01 3.73218e+01 1.08278e+01 180.000 -3.48864e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.25604e+01 180.000 1.17326e+01 180.000 0.3354 
1 1 1 4  0  39 o 10 5.55932e+01 3.90991e+01 1.23803e+01 90.000  2.40275e-17  3.92399e-01  0.00000e+00 0.00000e+00 2.76637e+01 90.000  1.52834e+01 90.000  0.3734 
1 1 1 4  1  4  o 9  1.22843e+03 2.59217e+01 7.11393e+02 109.707 -4.89482e+00 1.36657e+01  0.00000e+00 0.00000e+00 8.53753e+02 109.707 1.42360e+02 109.707 0.9649 
1 1 1 4  1  5  o 6  1.06155e+03 2.28814e+01 6.27256e+02 349.263 1.28228e+01  -2.43154e+00 0.00000e+00 0.00000e+00 7.22689e+02 349.263 9.54334e+01 349.263 0.9609 
1 1 1 4  1  6  o 15 3.78212e+02 1.32483e+01 2.16530e+02 152.096 -1.27000e+00 6.72536e-01  0.00000e+00 0.00000e+00 7.46841e+01 152.096 1.41846e+02 332.096 0.5802 
1 1 1 4  1  7  o 3  1.70755e+03 4.99282e+01 1.28578e+03 153.689 -3.88621e+01 1.92162e+01  0.00000e+00 0.00000e+00 9.61394e+02 153.689 3.24382e+02 333.689 0.9884 
1 1 1 4  1  8  o 15 1.04981e+02 1.20425e+01 2.44798e+02 36.281  5.97447e-01  4.38556e-01  0.00000e+00 0.00000e+00 1.96076e+02 216.281 4.40874e+02 216.281 0.3473 
1 1 1 4  1  9  o 16 8.75994e+02 1.95535e+01 6.91981e+02 286.576 4.36938e+00  -1.46796e+01 0.00000e+00 0.00000e+00 4.44769e+02 286.576 2.47211e+02 106.576 0.9668 
1 1 1 4  1  11 o 12 2.46052e+02 1.22275e+01 2.21865e+02 219.950 -1.71429e+00 -1.43593e+00 0.00000e+00 0.00000e+00 2.26700e+01 219.950 1.99195e+02 39.950  0.7330 
1 1 1 4  1  12 o 14 6.14961e+02 1.51859e+01 3.22106e+02 258.487 -2.05377e+00 -1.00827e+01 0.00000e+00 0.00000e+00 4.74690e+02 258.487 1.52584e+02 258.487 0.9501 
1 1 1 4  1  13 o 7  4.14295e+02 1.24497e+01 3.33798e+02 167.208 -7.57505e+00 1.71993e+00  0.00000e+00 0.00000e+00 1.96800e+02 167.208 1.36998e+02 347.208 0.9332 
1 1 1 4  1  14 o 18 4.16958e+02 1.26325e+01 1.99923e+02 238.367 -3.18800e+00 -5.17533e+00 0.00000e+00 0.00000e+00 3.26409e+02 238.367 1.26486e+02 238.367 0.9136 
1 1 1 4  1  15 o 13 5.96419e+02 1.51616e+01 3.90911e+02 24.293  1.94394e+01  8.77420e+00  0.00000e+00 0.00000e+00 4.19537e+02 24.293  2.86259e+01 24.293  0.9763 
1 1 1 4  1  16 o 11 5.75103e+01 1.91208e+01 4.66759e+01 82.334  3.31233e-02  2.46087e-01  0.00000e+00 0.00000e+00 3.67361e+01 262.334 8.34120e+01 262.334 0.1232 
1 1 1 4  1  17 o 11 2.69711e+02 1.20114e+01 2.95153e+02 298.906 4.47322e+00  -8.10112e+00 0.00000e+00 0.00000e+00 6.51205e+01 298.906 2.30032e+02 118.906 0.9443 
1 1 1 4  1  18 o 18 1.37788e+02 1.51743e+01 6.11337e+01 197.025 -1.04237e+00 -3.19183e-01 0.00000e+00 0.00000e+00 3.27435e+01 197.025 2.83902e+01 17.025  0.4774 
1 1 1 4  1  19 f 0  5.36636e+02 1.52375e+01 3.52008e+02 117.338 -1.42833e+01 2.76282e+01  0.00000e+00 0.00000e+00 4.08462e+02 117.338 5.64538e+01 117.338 0.9838 
1 1 1 4  1  20 o 3  3.43330e+02 1.39997e+01 1.83419e+02 47.752  6.93339e+00  7.63353e+00  0.00000e+00 0.00000e+00 2.91149e+02 47.752  1.07731e+02 47.752  0.9502 
1 1 1 4  1  21 o 15 1.87985e+02 2.06166e+01 1.44130e+02 257.194 -1.10520e+00 -4.86217e+00 0.00000e+00 0.00000e+00 1.02625e+02 257.194 4.15050e+01 77.194  0.8931 
1 1 1 4  1  22 o 9  2.57675e+02 1.90017e+01 2.27291e+02 183.832 -1.16595e+01 -7.81017e-01 0.00000e+00 0.00000e+00 1.38805e+02 183.832 8.84862e+01 3.832   0.9562 
1 1 1 4  1  23 o 19 1.95045e+02 2.06308e+01 9.91512e+01 10.768  4.24402e+00  8.07128e-01  0.00000e+00 0.00000e+00 1.57262e+02 10.768  5.81104e+01 10.768  0.8748 
1 1 1 4  1  24 o 15 4.96348e+02 2.36576e+01 2.73498e+02 343.827 2.87799e+01  -8.34654e+00 0.00000e+00 0.00000e+00 4.68600e+02 343.827 1.95102e+02 343.827 0.9832 
1 1 1 4  1  25 o 4  2.05123e+02 2.38318e+01 1.14046e+02 328.838 4.35928e+00  -2.63608e+00 0.00000e+00 0.00000e+00 1.68771e+02 328.838 5.47249e+01 328.838 0.8955 
1 1 1 4  1  26 o 10 7.37326e+01 3.15884e+01 4.84423e+00 237.895 -3.60718e-02 -5.74925e-02 0.00000e+00 0.00000e+00 9.44210e-01 57.895  5.78844e+00 57.895  0.0339 
1 1 1 4  1  27 o 16 1.07607e+02 3.61116e+01 8.03289e+01 61.107  9.83090e-01  1.78135e+00  0.00000e+00 0.00000e+00 3.92990e+01 61.107  4.10299e+01 241.107 0.7034 
1 1 1 4  1  29 o 14 1.79260e+02 3.39874e+01 1.26244e+02 282.949 1.82270e+00  -7.92703e+00 0.00000e+00 0.00000e+00 1.46647e+02 282.949 2.04029e+01 282.949 0.9363 
1 1 1 4  1  31 o 8  5.26050e+01 2.42944e+01 3.89181e+01 67.643  4.43256e-01  1.07774e+00  0.00000e+00 0.00000e+00 5.32697e+00 67.643  3.35912e+01 247.643 0.5019 
1 1 1 4  1  32 o 3  1.93459e+02 2.52532e+01 1.27969e+02 206.016 -1.20133e+01 -5.86338e+00 0.00000e+00 0.00000e+00 1.88843e+02 206.016 6.08736e+01 206.016 0.9618 
1 1 1 4  1  33 o 12 9.00732e+01 3.77059e+01 6.53601e+01 163.176 -2.66928e+00 8.07139e-01  0.00000e+00 0.00000e+00 5.82717e+01 163.176 7.08842e+00 343.176 0.7931 
1 1 1 4  1  34 o 16 5.75625e+01 2.81191e+01 4.70048e+01 74.965  5.45687e-01  2.03158e+00  0.00000e+00 0.00000e+00 2.53470e+01 74.965  2.16578e+01 254.965 0.7141 
1 1 1 4  1  35 o 3  4.66536e+01 2.32216e+01 2.11079e+01 21.031  9.62017e-01  3.69880e-01  0.00000e+00 0.00000e+00 1.70928e+01 21.031  4.01503e+00 201.031 0.4572 
1 1 1 4  1  36 o 10 5.84958e+01 2.82703e+01 5.39723e+00 18.187  2.70873e-01  8.89884e-02  0.00000e+00 0.00000e+00 9.65637e+00 18.187  4.25914e+00 18.187  0.1411 
1 1 1 4  1  37 o 1  6.61062e+01 3.14940e+01 2.60531e+01 318.719 1.07705e+00  -9.45597e-01 0.00000e+00 0.00000e+00 4.50617e+01 318.719 1.90087e+01 318.719 0.5792 
1 1 1 4  1  38 o 19 4.99587e+01 2.51271e+01 8.70948e+00 226.328 -3.97731e-01 -4.16606e-01 0.00000e+00 0.00000e+00 1.74533e+01 226.328 8.74380e+00 226.328 0.2767 
1 1 1 4  1  39 o 7  5.57600e+01 2.77061e+01 7.49841e+00 328.260 4.13848e-01  -2.55997e-01 0.00000e+00 0.00000e+00 1.79395e+01 328.260 1.04411e+01 328.260 0.2364 
1 1 1 4  2  4  o 15 1.88045e+02 1.09286e+01 1.86092e+02 328.866 6.29709e-01  -3.80378e-01 0.00000e+00 0.00000e+00 1.00290e+02 148.866 2.86382e+02 148.866 0.3450 
1 1 1 4  2  5  o 7  2.22319e+03 4.53385e+01 9.01796e+02 143.458 -2.98556e+01 2.21259e+01  0.00000e+00 0.00000e+00 2.00523e+03 143.458 1.10343e+03 143.458 0.9865 
1 1 1 4  2  6  o 12 5.34060e+02 1.58054e+01 1.86457e+02 220.069 -1.69111e+00 -1.42246e+00 0.00000e+00 0.00000e+00 3.31329e+02 220.069 1.44872e+02 220.069 0.7294 
1 1 1 4  2  7  o 12 3.30811e+02 1.26917e+01 1.66447e+02 50.416  6.94619e-01  8.40116e-01  0.00000e+00 0.00000e+00 4.41676e+01 50.416  1.22280e+02 230.416 0.4774 
1 1 1 4  2  8  o 18 1.18556e+03 2.89892e+01 6.72892e+02 16.998  2.11822e+01  6.47524e+00  0.00000e+00 0.00000e+00 8.77916e+02 16.998  2.05024e+02 16.998  0.9772 
1 1 1 4  2  9  o 8  1.74472e+03 4.14466e+01 1.21936e+03 293.569 2.05755e+01  -4.71656e+01 0.00000e+00 0.00000e+00 1.10334e+03 293.569 1.16018e+02 113.569 0.9902 
1 1 1 4  2  10 o 2  5.25818e+02 1.58249e+01 3.68429e+02 127.206 -2.84199e+00 3.74342e+00  0.00000e+00 0.00000e+00 2.60851e+02 127.206 1.07578e+02 307.206 0.8859 
1 1 1 4  2  11 o 9  8.62704e+02 2.23648e+01 6.18817e+02 93.564  -1.32463e+00 2.12653e+01  0.00000e+00 0.00000e+00 5.24931e+02 93.564  9.38859e+01 273.564 0.9762 
1 1 1 4  2  12 f 0  1.96996e+02 1.07293e+01 2.97325e+02 39.680  2.31763e+00  1.92279e+00  0.00000e+00 0.00000e+00 7.91458e+01 219.680 3.76471e+02 219.680 0.8108 
1 1 1 4  2  13 o 5  3.94439e+02 1.22339e+01 2.31414e+02 198.647 -4.79836e+00 -1.61918e+00 0.00000e+00 0.00000e+00 2.53760e+02 198.647 2.23462e+01 198.647 0.8949 
1 1 1 4  2  14 o 5  3.40035e+02 1.17280e+01 2.93334e+01 132.852 -4.89771e-01 5.27941e-01  0.00000e+00 0.00000e+00 1.30001e+02 132.852 1.00667e+02 132.852 0.3386 
1 1 1 4  2  15 o 6  4.91234e+02 1.36662e+01 2.39263e+02 7.243   1.05928e+01  1.34627e+00  0.00000e+00 0.00000e+00 4.12675e+02 7.243   1.73412e+02 7.243   0.9520 
1 1 1 4  2  16 o 13 2.69707e+02 1.18773e+01 9.80949e+01 110.694 -8.70172e-01 2.30357e+00  0.00000e+00 0.00000e+00 1.90233e+02 110.694 9.21377e+01 110.694 0.7608 
1 1 1 4  2  17 o 10 3.45743e+02 1.25089e+01 2.56175e+02 162.642 -9.18081e+00 2.86972e+00  0.00000e+00 0.00000e+00 2.07466e+02 162.642 4.87082e+01 342.642 0.9465 
1 1 1 4  2  18 o 17 4.50071e+02 1.37382e+01 4.26181e+02 267.360 -1.14047e+00 -2.47296e+01 0.00000e+00 0.00000e+00 2.04003e+02 267.360 2.22178e+02 87.360  0.9796 
1 1 1 4  2  19 o 18 3.83559e+02 1.38610e+01 1.32201e+02 254.852 -2.17937e+00 -8.05014e+00 0.00000e+00 0.00000e+00 3.86862e+02 254.852 2.54661e+02 254.852 0.9380 
1 1 1 4  2  20 o 9  2.02858e+02 1.82054e+01 1.85632e+02 43.977  4.34485e+00  4.19238e+00  0.00000e+00 0.00000e+00 8.42047e+01 43.977  1.01428e+02 223.977 0.9129 
1 1 1 4  2  21 o 2  3.22843e+02 1.47593e+01 1.95540e+02 339.072 1.11132e+01  -4.24990e+00 0.00000e+00 0.00000e+00 2.59304e+02 339.072 6.37641e+01 339.072 0.9570 
1 1 1 4  2  22 o 18 6.91927e+01 2.85367e+01 7.16175e+01 178.751 -9.79220e-01 2.13502e-02  0.00000e+00 0.00000e+00 2.64058e+01 358.751 9.80233e+01 358.751 0.4391 
1 1 1 4  2  23 o 7  1.56636e+02 2.63519e+01 1.59310e+02 108.830 -1.71557e+00 5.03077e+00  0.00000e+00 0.00000e+00 5.29325e+01 108.830 1.06377e+02 288.830 0.9002 
1 1 1 4  2  24 f 0  1.74352e+02 2.51361e+01 1.56190e+02 357.723 5.91613e+00  -2.35245e-01 0.00000e+00 0.00000e+00 8.57680e+01 357.723 7.04216e+01 177.723 0.9111 
1 1 1 4  2  25 o 5  4.50615e+02 2.03835e+01 2.98388e+02 238.931 -1.54635e+01 -2.56651e+01 0.00000e+00 0.00000e+00 3.84801e+02 238.931 8.64128e+01 238.931 0.9832 
1 1 1 4  2  26 o 12 4.59573e+02 1.92111e+01 2.14140e+02 253.993 -5.67203e+00 -1.97721e+01 0.00000e+00 0.00000e+00 4.86059e+02 253.993 2.71919e+02 253.993 0.9754 
1 1 1 4  2  27 o 6  1.62683e+02 3.14974e+01 1.08873e+02 26.029  3.96837e+00  1.93799e+00  0.00000e+00 0.00000e+00 1.17197e+02 26.029  8.32403e+00 26.029  0.8778 
1 1 1 4  2  28 o 14 2.00569e+02 3.31034e+01 1.42061e+02 157.036 -7.19192e+00 3.04746e+00  0.00000e+00 0.00000e+00 1.58509e+02 157.036 1.64489e+01 157.036 0.9336 
1 1 1 4  2  29 o 13 2.69587e+02 2.64502e+01 1.12389e+02 260.213 -2.13169e+00 -1.23578e+01 0.00000e+00 0.00000e+00 3.08725e+02 260.213 1.96337e+02 260.213 0.9593 
1 1 1 4  2  30 o 14 1.04388e+02 3.70981e+01 8.66402e+01 353.045 3.01412e+00  -3.67692e-01 0.00000e+00 0.00000e+00 5.35697e+01 353.045 3.30705e+01 173.045 0.8126 
1 1 1 4  2  31 o 1  1.17849e+02 3.16128e+01 7.66658e+01 97.210  -5.39287e-01 4.26296e+00  0.00000e+00 0.00000e+00 9.62213e+01 97.210  1.95555e+01 97.210  0.8740 
1 1 1 4  2  32 o 6  8.38908e+01 3.15763e+01 2.69019e+01 85.163  8.80747e-02  1.04076e+00  0.00000e+00 0.00000e+00 3.91821e+01 85.163  1.22802e+01 85.163  0.4619 
1 1 1 4  2  33 o 10 8.80847e+01 3.29628e+01 4.20045e+01 283.236 4.85326e-01  -2.06330e+00 0.00000e+00 0.00000e+00 6.73969e+01 283.236 2.53924e+01 283.236 0.7165 
1 1 1 4  2  34 o 2  6.53052e+01 3.12630e+01 1.68084e+01 43.766  5.45797e-01  5.22784e-01  0.00000e+00 0.00000e+00 2.38627e+01 43.766  7.05427e+00 43.766  0.3532 
1 1 1 4  2  35 o 15 9.32433e+01 3.66096e+01 5.41550e+00 134.773 -2.16664e-01 2.18387e-01  0.00000e+00 0.00000e+00 2.00146e+01 134.773 1.45991e+01 134.773 0.1520 
1 1 1 4  2  36 o 5  4.14364e+01 2.10618e+01 9.38271e+00 111.199 -1.79337e-01 4.62381e-01  0.00000e+00 0.00000e+00 8.82921e+00 111.199 5.53505e-01 291.199 0.2406 
1 1 1 4  2  37 o 12 6.39120e+01 3.05965e+01 2.39998e+00 143.601 -1.07228e-01 7.90534e-02  0.00000e+00 0.00000e+00 5.50216e+00 143.601 3.10218e+00 143.601 0.0665 
1 1 1 4  2  38 f 0  4.73197e+01 2.39547e+01 2.23086e+01 328.329 1.28002e+00  -7.89660e-01 0.00000e+00 0.00000e+00 3.12596e+01 328.329 8.95100e+00 328.329 0.5971 
1 1 1 4  2  39 o 10 5.88595e+01 2.90724e+01 5.96486e+00 297.585 1.73809e-01  -3.32675e-01 0.00000e+00 0.00000e+00 1.50203e+01 297.585 9.05549e+00 297.585 0.1844 
1 1 1 4  3  3  o 4  1.37517e+02 9.19623e+00 5.03263e+02 76.462  3.46326e-01  1.43830e+00  0.00000e+00 0.00000e+00 3.95679e+02 256.462 8.98942e+02 256.462 0.5910 
1 1 1 4  3  4  o 11 2.61394e+02 1.00442e+01 2.42272e+02 94.086  -8.88884e-02 1.24435e+00  0.00000e+00 0.00000e+00 5.95109e+01 274.086 3.01783e+02 274.086 0.5273 
1 1 1 4  3  5  o 9  3.86288e+02 1.15392e+01 4.10759e+01 113.664 -1.14032e-01 2.60215e-01  0.00000e+00 0.00000e+00 3.11291e+01 113.664 9.94676e+00 293.664 0.1406 
1 1 1 4  3  6  o 15 9.60780e+02 2.41660e+01 7.74720e+02 160.363 -1.47039e+01 5.24657e+00  0.00000e+00 0.00000e+00 4.64075e+02 160.363 3.10644e+02 340.363 0.9674 
1 1 1 4  3  7  o 16 1.49130e+03 3.08676e+01 1.28280e+03 275.619 5.56846e+00  -5.65998e+01 0.00000e+00 0.00000e+00 6.93701e+02 275.619 5.89094e+02 95.619  0.9912 
1 1 1 4  3  8  o 7  3.29268e+02 1.27488e+01 3.27187e+02 202.206 -2.69483e+00 -1.10007e+00 0.00000e+00 0.00000e+00 2.77714e+01 202.206 2.99416e+02 22.206  0.8032 
1 1 1 4  3  9  o 19 1.85284e+03 3.79286e+01 1.06650e+03 84.442  4.49343e+00  4.61744e+01  0.00000e+00 0.00000e+00 1.40405e+03 84.442  3.37543e+02 84.442  0.9892 
1 1 1 4  3  10 o 9  8.63604e+02 2.23019e+01 4.93357e+02 2.491   9.97664e+00  4.33972e-01  0.00000e+00 0.00000e+00 6.16154e+02 2.491   1.22797e+02 2.491   0.9485 
1 1 1 4  3  11 o 11 2.23204e+03 4.55935e+01 1.42045e+03 247.613 -4.50508e+01 -1.09370e+02 0.00000e+00 0.00000e+00 1.60595e+03 247.613 1.85495e+02 247.613 0.9958 
1 1 1 4  3  12 o 1  2.02572e+02 1.53137e+01 1.58403e+02 171.466 -1.58723e+00 2.38171e-01  0.00000e+00 0.00000e+00 1.38963e+01 171.466 1.44507e+02 351.466 0.6210 
1 1 1 4  3  13 o 11 5.00244e+02 1.36049e+01 4.12728e+02 48.038  9.12525e+00  1.01482e+01  0.00000e+00 0.00000e+00 2.50967e+02 48.038  1.61761e+02 228.038 0.9626 
1 1 1 4  3  14 o 7  1.44630e+02 1.17348e+01 1.47090e+02 307.659 9.21631e-01  -1.19423e+00 0.00000e+00 0.00000e+00 2.70269e+01 127.659 1.74117e+02 127.659 0.5982 
1 1 1 4  3  15 o 3  3.42459e+02 1.20330e+01 1.64123e+02 74.487  1.45018e+00  5.22465e+00  0.00000e+00 0.00000e+00 2.67827e+02 74.487  1.03704e+02 74.487  0.9023 
1 1 1 4  3  16 o 16 4.87459e+02 1.38493e+01 1.20692e+02 33.482  4.48920e+00  2.96932e+00  0.00000e+00 0.00000e+00 4.98440e+02 33.482  3.77748e+02 33.482  0.9016 
1 1 1 4  3  17 o 16 2.47549e+02 1.21976e+01 2.45238e+02 146.028 -5.40399e+00 3.64122e+00  0.00000e+00 0.00000e+00 7.81881e+01 146.028 1.67050e+02 326.028 0.9197 
1 1 1 4  3  18 o 4  4.27106e+02 1.36463e+01 2.03701e+02 66.853  5.28010e+00  1.23510e+01  0.00000e+00 0.00000e+00 3.85173e+02 66.853  1.81471e+02 66.853  0.9620 
1 1 1 4  3  19 o 8  3.64727e+02 1.38689e+01 2.56919e+02 296.207 5.60217e+00  -1.13815e+01 0.00000e+00 0.00000e+00 2.49457e+02 296.207 7.46230e+00 116.207 0.9597 
1 1 1 4  3  20 o 2  3.36234e+02 1.65106e+01 2.36677e+02 217.903 -1.27599e+01 -9.93438e+00 0.00000e+00 0.00000e+00 2.39092e+02 217.903 2.41456e+00 217.903 0.9686 
1 1 1 4  3  21 o 3  1.59019e+02 1.90111e+01 1.03886e+02 181.261 -3.36846e+00 -7.41750e-02 0.00000e+00 0.00000e+00 9.18706e+01 181.261 1.20153e+01 1.261   0.8340 
1 1 1 4  3  22 o 8  9.04489e+01 3.09928e+01 1.95358e+02 13.203  3.30778e+00  7.76041e-01  0.00000e+00 0.00000e+00 8.25843e+01 193.203 2.77943e+02 193.203 0.8356 
1 1 1 4  3  23 o 13 3.99537e+02 1.88379e+01 2.20471e+02 55.697  1.11170e+01  1.62953e+01  0.00000e+00 0.00000e+00 3.67028e+02 55.697  1.46556e+02 55.697  0.9743 
1 1 1 4  3  24 o 18 3.70128e+02 2.14957e+01 2.68951e+02 126.934 -1.02297e+01 1.36081e+01  0.00000e+00 0.00000e+00 2.79450e+02 126.934 1.04995e+01 126.934 0.9702 
1 1 1 4  3  25 o 17 5.65507e+01 2.69360e+01 9.77318e+01 218.420 -9.11971e-01 -7.23334e-01 0.00000e+00 0.00000e+00 5.38823e+01 38.420  1.51614e+02 38.420  0.5015 
1 1 1 4  3  26 o 16 1.40442e+02 3.35044e+01 5.42700e+01 274.008 1.00286e-01  -1.43140e+00 0.00000e+00 0.00000e+00 7.32251e+01 274.008 1.89551e+01 274.008 0.5796 
1 1 1 4  3  27 o 11 8.24317e+01 3.36048e+01 2.64301e+01 198.743 -4.99099e-01 -1.69356e-01 0.00000e+00 0.00000e+00 6.90583e+00 198.743 1.95243e+01 18.743  0.2548 
1 1 1 4  3  29 o 18 1.56784e+02 3.63251e+01 1.18428e+02 309.789 4.05680e+00  -4.87105e+00 0.00000e+00 0.00000e+00 1.16398e+02 309.789 2.03041e+00 129.789 0.9173 
1 1 1 4  3  30 o 2  1.89084e+02 3.00004e+01 1.08250e+02 143.491 -6.34815e+00 4.69886e+00  0.00000e+00 0.00000e+00 1.84538e+02 143.491 7.62874e+01 143.491 0.9344 
1 1 1 4  3  31 o 5  9.24585e+01 3.17695e+01 7.05439e+01 172.694 -3.05741e+00 3.91981e-01  0.00000e+00 0.00000e+00 5.64102e+01 172.694 1.41337e+01 352.694 0.8159 
1 1 1 4  3  32 o 2  7.49357e+01 3.32888e+01 3.23274e+01 270.077 1.65442e-03  -1.23156e+00 0.00000e+00 0.00000e+00 3.46141e+01 270.077 2.28662e+00 270.077 0.5224 
1 1 1 4  3  33 o 10 8.18237e+01 3.25401e+01 6.18071e+01 17.874  2.78979e+00  8.99698e-01  0.00000e+00 0.00000e+00 5.26479e+01 17.874  9.15924e+00 197.874 0.8048 
1 1 1 4  3  34 o 9  9.01176e+01 3.91805e+01 6.33153e+01 358.921 2.92794e+00  -5.51539e-02 0.00000e+00 0.00000e+00 6.48541e+01 358.921 1.53886e+00 358.921 0.8046 
1 1 1 4  3  35 f 0  4.65798e+01 2.32373e+01 2.84757e+01 58.745  7.43718e-01  1.22537e+00  0.00000e+00 0.00000e+00 2.00563e+01 58.745  8.41943e+00 238.745 0.5792 
1 1 1 4  3  36 o 2  7.24789e+01 3.30526e+01 2.14782e+01 181.126 -1.12828e+00 -2.21810e-02 0.00000e+00 0.00000e+00 4.35682e+01 181.126 2.20900e+01 181.126 0.4901 
1 1 1 4  3  37 o 4  7.18341e+01 3.34015e+01 3.53769e+01 247.999 -7.20518e-01 -1.78323e+00 0.00000e+00 0.00000e+00 5.63761e+01 247.999 2.09992e+01 247.999 0.6848 
1 1 1 4  3  38 o 15 5.61324e+01 2.78373e+01 2.49513e+00 102.700 -3.44207e-02 1.52742e-01  0.00000e+00 0.00000e+00 5.83268e+00 102.700 3.33755e+00 102.700 0.0780 
1 1 1 4  3  39 o 19 6.37969e+01 3.12058e+01 1.84050e+01 287.573 3.33748e-01  -1.05382e+00 0.00000e+00 0.00000e+00 4.12554e+01 287.573 2.28504e+01 287.573 0.4825 
1 1 1 4  4  0  o 5  2.50781e+03 7.27665e+01 1.00834e+03 0.000   2.03097e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.31620e+03 0.000   1.30786e+03 0.000   1.0000 
1 1 1 4  4  1  o 9  1.24944e+03 3.73499e+01 5.80458e+02 337.539 1.40785e+01  -5.82030e+00 0.00000e+00 0.00000e+00 1.02097e+03 337.539 4.40513e+02 337.539 0.9666 
1 1 1 4  4  2  o 15 1.56209e+03 4.58302e+01 3.19940e+02 173.431 -9.97416e+00 1.14856e+00  0.00000e+00 0.00000e+00 1.64686e+03 173.431 1.32692e+03 173.431 0.9488 
1 1 1 4  4  3  o 11 1.03238e+03 2.56259e+01 5.03958e+02 67.830  3.80132e+00  9.32893e+00  0.00000e+00 0.00000e+00 7.97775e+02 67.830  2.93817e+02 67.830  0.9490 
1 1 1 4  4  4  o 14 5.37762e+02 1.37128e+01 4.75368e+02 56.299  2.56645e+00  3.84802e+00  0.00000e+00 0.00000e+00 1.57311e+02 56.299  3.18057e+02 236.299 0.8839 
1 1 1 4  4  5  o 13 3.54202e+02 1.28572e+01 3.99265e+02 196.895 -2.93686e+00 -8.92029e-01 0.00000e+00 0.00000e+00 1.41638e+01 16.895  4.13429e+02 16.895  0.8150 
1 1 1 4  4  6  o 13 5.63148e+02 1.63750e+01 6.70223e+02 143.863 -6.00239e+00 4.38288e+00  0.00000e+00 0.00000e+00 3.04493e+01 143.863 6.39774e+02 323.863 0.9301 
1 1 1 4  4  7  o 8  9.61351e+02 2.09277e+01 6.56070e+02 81.675  2.58391e+00  1.76592e+01  0.00000e+00 0.00000e+00 5.97528e+02 81.675  5.85422e+01 261.675 0.9716 
1 1 1 4  4  8  f 0  1.84171e+03 4.36331e+01 1.32031e+03 277.216 7.53540e+00  -5.95161e+01 0.00000e+00 0.00000e+00 1.14016e+03 277.216 1.80144e+02 97.216  0.9916 
1 1 1 4  4  9  o 8  1.02372e+03 3.13957e+01 8.10960e+02 258.022 -4.26489e+00 -2.01030e+01 0.00000e+00 0.00000e+00 5.40034e+02 258.022 2.70926e+02 78.022  0.9754 
1 1 1 4  4  10 f 0  8.96902e+02 1.98816e+01 8.17287e+02 94.985  -2.65016e+00 3.03831e+01  0.00000e+00 0.00000e+00 3.81919e+02 94.985  4.35368e+02 274.985 0.9835 
1 1 1 4  4  11 o 7  4.54337e+02 1.27809e+01 4.27809e+02 29.931  9.03116e+00  5.19956e+00  0.00000e+00 0.00000e+00 1.62566e+02 29.931  2.65242e+02 209.931 0.9507 
1 1 1 4  4  12 o 12 7.69569e+02 2.05695e+01 3.51888e+02 72.983  4.55694e+00  1.48897e+01  0.00000e+00 0.00000e+00 6.71483e+02 72.983  3.19594e+02 72.983  0.9673 
1 1 1 4  4  13 o 7  2.10014e+02 1.08884e+01 1.95049e+02 294.812 1.10864e+00  -2.39797e+00 0.00000e+00 0.00000e+00 3.14442e+01 294.812 1.63605e+02 114.812 0.7796 
1 1 1 4  4  14 o 6  1.05221e+02 1.35064e+01 1.36861e+02 225.220 -9.68431e-01 -9.75888e-01 0.00000e+00 0.00000e+00 5.42562e+01 45.220  1.91117e+02 45.220  0.5636 
1 1 1 4  4  15 o 17 2.17864e+02 1.18827e+01 2.71807e+02 159.562 -5.24078e+00 1.95296e+00  0.00000e+00 0.00000e+00 4.99401e+00 159.562 2.66813e+02 339.562 0.9055 
1 1 1 4  4  16 o 12 3.95180e+02 1.27964e+01 1.67739e+02 138.485 -6.00824e+00 5.31839e+00  0.00000e+00 0.00000e+00 3.54998e+02 138.485 1.87260e+02 138.485 0.9354 
1 1 1 4  4  17 f 0  1.63257e+02 1.34918e+01 2.67713e+02 283.425 1.06835e+00  -4.47583e+00 0.00000e+00 0.00000e+00 6.21053e+01 103.425 3.29819e+02 103.425 0.8832 
1 1 1 4  4  18 o 4  2.16339e+02 1.35520e+01 9.53194e+01 18.687  2.97256e+00  1.00543e+00  0.00000e+00 0.00000e+00 1.59778e+02 18.687  6.44589e+01 18.687  0.8197 
1 1 1 4  4  19 o 7  4.18914e+02 1.42178e+01 2.02792e+02 3.471   1.13188e+01  6.86539e-01  0.00000e+00 0.00000e+00 3.78006e+02 3.471   1.75214e+02 3.471   0.9548 
1 1 1 4  4  20 o 7  4.35592e+02 1.72761e+01 1.67056e+02 302.336 7.78913e+00  -1.23039e+01 0.00000e+00 0.00000e+00 4.49347e+02 302.336 2.82291e+02 302.336 0.9650 
1 1 1 4  4  21 o 14 4.55274e+02 3.25622e+01 3.87453e+02 115.736 -1.40001e+01 2.90439e+01  0.00000e+00 0.00000e+00 2.76542e+02 115.736 1.10911e+02 295.736 0.9844 
1 1 1 4  4  22 o 14 1.66370e+02 2.02753e+01 4.35783e+01 266.322 -9.62002e-02 -1.49661e+00 0.00000e+00 0.00000e+00 1.04950e+02 266.322 6.13715e+01 266.322 0.5961 
1 1 1 4  4  23 o 6  1.44219e+02 3.37966e+01 7.20156e+01 331.735 1.78279e+00  -9.58509e-01 0.00000e+00 0.00000e+00 8.12851e+01 331.735 9.26958e+00 331.735 0.7017 
1 1 1 4  4  24 f 0  5.24602e+02 2.04501e+01 2.21127e+02 273.819 1.31914e+00  -1.97640e+01 0.00000e+00 0.00000e+00 5.62477e+02 273.819 3.41350e+02 273.819 0.9744 
1 1 1 4  4  25 o 2  3.30716e+02 2.79170e+01 1.66368e+02 268.017 -3.95054e-01 -1.14085e+01 0.00000e+00 0.00000e+00 3.23872e+02 268.017 1.57505e+02 268.017 0.9551 
1 1 1 4  4  26 o 3  5.15273e+02 2.17512e+01 2.61015e+02 86.065  1.91046e+00  2.77759e+01  0.00000e+00 0.00000e+00 5.34347e+02 86.065  2.73332e+02 86.065  0.9819 
1 1 1 4  4  27 o 10 2.71531e+02 2.85990e+01 1.13275e+02 117.465 -3.99024e+00 7.67652e+00  0.00000e+00 0.00000e+00 2.93506e+02 117.465 1.80231e+02 117.465 0.9403 
1 1 1 4  4  28 o 6  1.80481e+02 3.53684e+01 1.19206e+02 219.140 -4.86835e+00 -3.96203e+00 0.00000e+00 0.00000e+00 1.47999e+02 219.140 2.87934e+01 219.140 0.9165 
1 1 1 4  4  29 o 6  2.26655e+02 2.88391e+01 1.07985e+02 105.686 -2.77543e+00 9.88289e+00  0.00000e+00 0.00000e+00 2.44886e+02 105.686 1.36901e+02 105.686 0.9500 
1 1 1 4  4  30 o 13 1.29323e+02 3.38953e+01 2.03572e+01 143.153 -8.77958e-01 6.57930e-01  0.00000e+00 0.00000e+00 8.28457e+01 143.153 6.24884e+01 143.153 0.4797 
1 1 1 4  4  31 o 3  1.80989e+02 2.60974e+01 1.23835e+02 260.601 -2.05437e+00 -1.24102e+01 0.00000e+00 0.00000e+00 1.69478e+02 260.601 4.56426e+01 260.601 0.9594 
1 1 1 4  4  32 o 19 7.71285e+01 3.36078e+01 1.66562e+01 291.362 2.34980e-01  -6.00776e-01 0.00000e+00 0.00000e+00 2.39631e+01 291.362 7.30684e+00 291.362 0.3069 
1 1 1 4  4  33 o 1  7.32064e+01 3.11773e+01 3.43150e+01 42.859  1.11285e+00  1.03264e+00  0.00000e+00 0.00000e+00 4.23909e+01 42.859  8.07597e+00 42.859  0.6006 
1 1 1 4  4  34 o 7  7.19096e+01 3.16937e+01 2.78617e+01 14.986  1.39531e+00  3.73500e-01  0.00000e+00 0.00000e+00 4.64095e+01 14.986  1.85478e+01 14.986  0.5821 
1 1 1 4  4  35 o 3  6.56597e+01 3.22394e+01 3.16459e+01 245.659 -6.21226e-01 -1.37322e+00 0.00000e+00 0.00000e+00 3.92352e+01 245.659 7.58929e+00 245.659 0.5979 
1 1 1 4  4  36 o 6  5.80579e+01 2.81421e+01 1.50599e+01 291.745 3.09648e-01  -7.76325e-01 0.00000e+00 0.00000e+00 2.60478e+01 291.745 1.09880e+01 291.745 0.3852 
1 1 1 4  4  37 o 12 7.65995e+01 3.48987e+01 1.22080e+01 316.255 4.87191e-01  -4.66296e-01 0.00000e+00 0.00000e+00 3.35941e+01 316.255 2.13862e+01 316.255 0.3194 
1 1 1 4  4  38 o 4  6.68235e+01 3.21871e+01 1.88130e+01 151.421 -9.62955e-01 5.24564e-01  0.00000e+00 0.00000e+00 4.23311e+01 151.421 2.35181e+01 151.421 0.4796 
1 1 1 4  4  39 o 14 4.66095e+01 2.37614e+01 7.27037e+00 122.834 -2.75164e-01 4.26411e-01  0.00000e+00 0.00000e+00 1.50276e+01 122.834 7.75723e+00 122.834 0.2459 
1 1 1 4  5  0  o 5  4.19986e+02 1.69977e+01 3.17013e+02 0.000   1.28108e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.62302e+02 0.000   1.54711e+02 180.000 0.8568 
1 1 1 4  5  1  o 6  6.50702e+02 1.79225e+01 2.69086e+02 307.801 2.03860e+00  -2.62806e+00 0.00000e+00 0.00000e+00 4.51790e+02 307.801 1.82704e+02 307.801 0.8315 
1 1 1 4  5  2  o 7  1.05889e+03 3.22021e+01 6.85822e+02 156.221 -1.21266e+01 5.34313e+00  0.00000e+00 0.00000e+00 6.71735e+02 156.221 1.40870e+01 336.221 0.9615 
1 1 1 4  5  3  o 9  9.40221e+02 2.37794e+01 8.13080e+02 352.900 1.32444e+01  -1.64963e+00 0.00000e+00 0.00000e+00 3.94207e+02 352.900 4.18873e+02 172.900 0.9618 
1 1 1 4  5  4  o 13 1.14259e+03 2.42927e+01 3.23590e+02 355.766 7.87230e+00  -5.82788e-01 0.00000e+00 0.00000e+00 1.10419e+03 355.766 7.80602e+02 355.766 0.9343 
1 1 1 4  5  5  o 5  1.01733e+03 2.53375e+01 5.90533e+02 159.237 -1.10888e+01 4.20412e+00  0.00000e+00 0.00000e+00 7.14349e+02 159.237 1.23816e+02 159.237 0.9569 
1 1 1 4  5  6  o 9  1.18028e+03 2.49403e+01 4.13360e+02 3.707   1.40287e+01  9.08901e-01  0.00000e+00 0.00000e+00 1.11566e+03 3.707   7.02299e+02 3.707   0.9637 
1 1 1 4  5  7  o 10 7.42823e+02 1.71079e+01 4.53749e+02 77.964  1.84162e+00  8.63774e+00  0.00000e+00 0.00000e+00 4.89487e+02 77.964  3.57381e+01 77.964  0.9416 
1 1 1 4  5  8  o 11 1.74882e+03 3.60480e+01 9.95150e+02 113.465 -1.62251e+01 3.73784e+01  0.00000e+00 0.00000e+00 1.34304e+03 113.465 3.47886e+02 113.465 0.9877 
1 1 1 4  5  9  o 12 1.86005e+03 5.43753e+01 1.34204e+03 274.546 4.49240e+00  -5.64976e+01 0.00000e+00 0.00000e+00 1.16436e+03 274.546 1.77684e+02 94.546  0.9911 
1 1 1 4  5  10 o 11 1.70144e+03 3.51474e+01 1.16826e+03 241.309 -3.69553e+01 -6.75248e+01 0.00000e+00 0.00000e+00 1.14087e+03 241.309 2.73833e+01 61.309  0.9935 
1 1 1 4  5  11 o 8  4.58628e+02 1.28653e+01 1.94323e+02 147.716 -3.86649e+00 2.44279e+00  0.00000e+00 0.00000e+00 3.61485e+02 147.716 1.67162e+02 147.716 0.8825 
1 1 1 4  5  12 o 12 6.89667e+02 1.91189e+01 5.59041e+02 76.066  5.14999e+00  2.07574e+01  0.00000e+00 0.00000e+00 3.71058e+02 76.066  1.87983e+02 256.066 0.9763 
1 1 1 4  5  13 o 14 2.30094e+02 1.28395e+01 2.47424e+02 37.046  3.32414e+00  2.50911e+00  0.00000e+00 0.00000e+00 3.07017e+01 37.046  2.16722e+02 217.046 0.8696 
1 1 1 4  5  14 o 18 6.49471e+02 1.59297e+01 3.56931e+02 345.767 2.07240e+01  -5.25673e+00 0.00000e+00 0.00000e+00 5.30514e+02 345.767 1.73584e+02 345.767 0.9763 
1 1 1 4  5  15 o 9  2.56890e+02 1.16691e+01 2.69001e+02 337.980 6.10493e+00  -2.46909e+00 0.00000e+00 0.00000e+00 6.44057e+01 337.980 2.04596e+02 157.980 0.9206 
1 1 1 4  5  16 o 6  2.75465e+02 1.20304e+01 2.56671e+02 181.747 -8.36928e+00 -2.55202e-01 0.00000e+00 0.00000e+00 1.10557e+02 181.747 1.46114e+02 1.747   0.9382 
1 1 1 4  5  17 o 1  1.52960e+02 1.39835e+01 1.23370e+02 109.258 -8.25474e-01 2.36278e+00  0.00000e+00 0.00000e+00 4.43498e+01 109.258 7.90202e+01 289.258 0.7653 
1 1 1 4  5  18 o 3  1.26339e+02 1.81194e+01 1.96618e+02 258.182 -8.47478e-01 -4.05039e+00 0.00000e+00 0.00000e+00 3.79902e+01 78.182  2.34608e+02 78.182  0.8686 
1 1 1 4  5  19 o 4  1.41789e+02 2.11279e+01 7.87203e+01 193.333 -1.76963e+00 -4.19385e-01 0.00000e+00 0.00000e+00 5.89790e+01 193.333 1.97413e+01 13.333  0.6656 
1 1 1 4  5  20 o 4  9.70296e+01 2.42098e+01 3.84083e+01 5.253   7.02654e-01  6.46025e-02  0.00000e+00 0.00000e+00 9.13212e+00 5.253   2.92762e+01 185.253 0.3325 
1 1 1 4  5  21 o 8  6.28355e+01 2.54034e+01 7.57966e+01 104.257 -2.30295e-01 9.06317e-01  0.00000e+00 0.00000e+00 3.62335e+01 284.257 1.12030e+02 284.257 0.4229 
1 1 1 4  5  22 o 5  3.76100e+02 1.76180e+01 2.52627e+02 55.592  1.32291e+01  1.93150e+01  0.00000e+00 0.00000e+00 3.01168e+02 55.592  4.85404e+01 55.592  0.9784 
1 1 1 4  5  23 o 2  2.64443e+02 2.32754e+01 1.50676e+02 153.093 -7.52206e+00 3.81731e+00  0.00000e+00 0.00000e+00 2.27174e+02 153.093 7.64984e+01 153.093 0.9387 
1 1 1 4  5  24 o 10 1.54467e+02 2.84830e+01 1.69771e+02 338.959 4.32171e+00  -1.66246e+00 0.00000e+00 0.00000e+00 4.05655e+01 338.959 1.29205e+02 158.959 0.8840 
1 1 1 4  5  25 o 3  2.75606e+02 2.12226e+01 1.24809e+02 276.398 7.71604e-01  -6.88088e+00 0.00000e+00 0.00000e+00 2.72609e+02 276.398 1.47801e+02 276.398 0.9247 
1 1 1 4  5  26 o 11 1.28111e+02 3.94097e+01 1.14302e+02 190.252 -2.93404e+00 -5.30683e-01 0.00000e+00 0.00000e+00 4.93370e+01 190.252 6.49645e+01 10.252  0.8086 
1 1 1 4  5  27 o 17 2.29991e+02 3.20900e+01 6.95297e+01 280.452 7.74242e-01  -4.19706e+00 0.00000e+00 0.00000e+00 2.51931e+02 280.452 1.82401e+02 280.452 0.8731 
1 1 1 4  5  28 o 9  1.37598e+02 3.84017e+01 4.94080e+00 31.029  1.60575e-01  9.65943e-02  0.00000e+00 0.00000e+00 1.58950e+01 31.029  1.09542e+01 31.029  0.0933 
1 1 1 4  5  29 o 14 1.03807e+02 3.69382e+01 8.35488e+01 148.206 -2.60040e+00 1.61197e+00  0.00000e+00 0.00000e+00 5.56491e+01 148.206 2.78997e+01 328.206 0.8143 
1 1 1 4  5  30 o 10 1.31712e+02 3.18491e+01 7.20658e+01 138.831 -3.10926e+00 2.71896e+00  0.00000e+00 0.00000e+00 1.19100e+02 138.831 4.70343e+01 138.831 0.8684 
1 1 1 4  5  31 o 3  1.16517e+02 3.93417e+01 8.66792e+01 357.256 3.99593e+00  -1.91516e-01 0.00000e+00 0.00000e+00 8.41028e+01 357.256 2.57639e+00 177.256 0.8635 
1 1 1 4  5  32 o 18 5.93142e+01 2.70080e+01 4.11497e+00 247.154 -5.72795e-02 -1.35957e-01 0.00000e+00 0.00000e+00 3.40990e+00 247.154 7.05071e-01 67.154  0.0736 
1 1 1 4  5  33 o 3  8.68527e+01 3.37980e+01 2.93814e+01 72.371  4.56729e-01  1.43725e+00  0.00000e+00 0.00000e+00 6.16853e+01 72.371  3.23038e+01 72.371  0.5981 
1 1 1 4  5  34 o 5  4.75191e+01 2.35021e+01 2.17545e+01 140.905 -8.10909e-01 6.58886e-01  0.00000e+00 0.00000e+00 1.73914e+01 140.905 4.36308e+00 320.905 0.4621 
1 1 1 4  5  35 o 10 7.45021e+01 3.54694e+01 3.70094e+01 215.178 -1.44970e+00 -1.02182e+00 0.00000e+00 0.00000e+00 5.17731e+01 215.178 1.47637e+01 215.178 0.6569 
1 1 1 4  5  36 o 14 6.04636e+01 2.89193e+01 4.19843e+01 285.251 6.12067e-01  -2.24482e+00 0.00000e+00 0.00000e+00 4.11864e+01 285.251 7.97828e-01 105.251 0.7448 
1 1 1 4  5  37 o 16 4.85602e+01 2.44203e+01 2.11339e+01 13.382  1.23609e+00  2.94077e-01  0.00000e+00 0.00000e+00 2.76591e+01 13.382  6.52522e+00 13.382  0.5341 
1 1 1 4  5  38 o 19 5.48896e+01 2.74258e+01 1.30445e+01 173.338 -8.06047e-01 9.41530e-02  0.00000e+00 0.00000e+00 2.64871e+01 173.338 1.34426e+01 173.338 0.3757 
1 1 1 4  5  39 o 1  4.89366e+01 2.48477e+01 1.54344e+01 74.973  2.71536e-01  1.01151e+00  0.00000e+00 0.00000e+00 2.88474e+01 74.973  1.34130e+01 74.973  0.4629 
1 1 1 4  6  0  o 5  9.64158e+02 2.97398e+01 4.47240e+02 0.000   4.76887e+00  0.00000e+00  0.00000e+00 0.00000e+00 8.44436e+02 0.000   3.97196e+02 0.000   0.9999 
1 1 1 4  6  1  o 15 5.87606e+02 1.67157e+01 3.04607e+02 115.865 -1.71521e+00 3.53784e+00  0.00000e+00 0.00000e+00 3.73328e+02 115.865 6.87213e+01 115.865 0.8608 
1 1 1 4  6  2  o 12 4.79153e+02 1.81431e+01 2.65451e+02 13.819  2.63779e+00  6.48832e-01  0.00000e+00 0.00000e+00 2.40077e+02 13.819  2.53739e+01 193.819 0.7866 
1 1 1 4  6  3  o 15 6.49527e+02 1.79650e+01 1.33977e+02 171.547 -1.75954e+00 2.61477e-01  0.00000e+00 0.00000e+00 4.39893e+02 171.547 3.05917e+02 171.547 0.6579 
1 1 1 4  6  4  o 13 4.85862e+02 1.29340e+01 3.69049e+02 127.910 -2.12933e+00 2.73430e+00  0.00000e+00 0.00000e+00 1.79536e+02 127.910 1.89513e+02 307.910 0.8393 
1 1 1 4  6  5  o 9  2.30588e+02 1.38645e+01 4.55797e+02 120.483 -1.53393e+00 2.60590e+00  0.00000e+00 0.00000e+00 2.03416e+02 300.483 6.59213e+02 300.483 0.8117 
1 1 1 4  6  6  o 5  3.99150e+02 1.17824e+01 2.13462e+02 331.141 1.98717e+00  -1.09510e+00 0.00000e+00 0.00000e+00 1.84480e+02 331.141 2.89817e+01 151.142 0.7373 
1 1 1 4  6  7  o 4  1.92704e+03 3.94094e+01 1.15242e+03 314.422 3.68536e+01  -3.76049e+01 0.00000e+00 0.00000e+00 1.43675e+03 314.422 2.84324e+02 314.422 0.9905 
1 1 1 4  6  8  o 18 1.23169e+03 2.99872e+01 8.54940e+02 191.068 -2.48765e+01 -4.86608e+00 0.00000e+00 0.00000e+00 7.88813e+02 191.068 6.61265e+01 11.068  0.9801 
1 1 1 4  6  9  o 12 1.12184e+03 3.40429e+01 8.02126e+02 100.369 -6.49519e+00 3.54968e+01  0.00000e+00 0.00000e+00 7.10622e+02 100.369 9.15040e+01 280.369 0.9860 
1 1 1 4  6  10 o 15 7.07835e+02 1.66360e+01 3.70628e+02 184.902 -1.38942e+01 -1.19157e+00 0.00000e+00 0.00000e+00 5.66462e+02 184.902 1.95835e+02 184.902 0.9635 
1 1 1 4  6  11 o 3  3.67976e+02 1.17771e+01 2.29350e+02 14.222  4.77967e+00  1.21136e+00  0.00000e+00 0.00000e+00 2.23948e+02 14.222  5.40166e+00 194.222 0.8918 
1 1 1 4  6  12 o 7  4.74721e+02 1.31945e+01 2.72236e+02 293.085 3.29871e+00  -7.73923e+00 0.00000e+00 0.00000e+00 3.46818e+02 293.085 7.45811e+01 293.085 0.9385 
1 1 1 4  6  13 o 16 5.12718e+02 1.60100e+01 3.47841e+02 244.351 -5.40461e+00 -1.12556e+01 0.00000e+00 0.00000e+00 3.39717e+02 244.351 8.12381e+00 64.351  0.9591 
1 1 1 4  6  14 o 13 3.15859e+02 1.17221e+01 7.64904e+01 296.046 1.02425e+00  -2.09579e+00 0.00000e+00 0.00000e+00 2.55005e+02 296.046 1.78514e+02 296.046 0.7455 
1 1 1 4  6  15 o 19 1.65444e+02 1.28226e+01 1.86626e+02 103.088 -6.44747e-01 2.77321e+00  0.00000e+00 0.00000e+00 6.03048e-01 103.088 1.86023e+02 283.088 0.7980 
1 1 1 4  6  16 f 0  2.93928e+02 1.22375e+01 1.58433e+02 344.400 4.86631e+00  -1.35868e+00 0.00000e+00 0.00000e+00 2.17376e+02 344.400 5.89431e+01 344.400 0.8946 
1 1 1 4  6  17 o 2  3.35227e+02 1.28053e+01 1.14114e+02 230.501 -3.15900e+00 -3.83229e+00 0.00000e+00 0.00000e+00 3.17121e+02 230.501 2.03007e+02 230.501 0.8926 
1 1 1 4  6  18 o 2  9.57273e+01 2.22964e+01 1.02084e+02 170.881 -1.54247e+00 2.47600e-01  0.00000e+00 0.00000e+00 1.70228e+01 350.881 1.19106e+02 350.881 0.6111 
1 1 1 4  6  19 o 2  1.74360e+02 1.92997e+01 9.58998e+01 219.365 -2.08488e+00 -1.71041e+00 0.00000e+00 0.00000e+00 1.04921e+02 219.365 9.02136e+00 219.365 0.7848 
1 1 1 4  6  20 o 15 2.16130e+02 1.59853e+01 1.89251e+02 65.756  3.19186e+00  7.08751e+00  0.00000e+00 0.00000e+00 1.09697e+02 65.756  7.95530e+01 245.756 0.9333 
1 1 1 4  6  21 o 1  1.77424e+02 1.88795e+01 1.53456e+02 335.541 5.00418e+00  -2.27621e+00 0.00000e+00 0.00000e+00 8.66682e+01 335.541 6.67883e+01 155.541 0.9038 
1 1 1 4  6  22 o 10 2.43599e+02 1.96530e+01 2.24955e+02 354.201 1.30701e+01  -1.32726e+00 0.00000e+00 0.00000e+00 1.29486e+02 354.201 9.54693e+01 174.202 0.9612 
1 1 1 4  6  23 o 17 7.29377e+01 3.18768e+01 1.01100e+02 257.323 -3.36039e-01 -1.49386e+00 0.00000e+00 0.00000e+00 3.36766e+01 77.323  1.34777e+02 77.323  0.6037 
1 1 1 4  6  24 o 7  3.02340e+02 2.43907e+01 1.98295e+02 173.434 -1.07194e+01 1.23384e+00  0.00000e+00 0.00000e+00 2.47872e+02 173.434 4.95769e+01 173.434 0.9525 
1 1 1 4  6  25 o 7  1.75042e+02 2.76377e+01 3.98378e+01 78.330  2.82118e-01  1.36595e+00  0.00000e+00 0.00000e+00 1.16402e+02 78.330  7.65641e+01 78.330  0.5690 
1 1 1 4  6  26 o 8  1.99139e+02 3.22319e+01 8.58104e+01 131.788 -2.50687e+00 2.80492e+00  0.00000e+00 0.00000e+00 1.84314e+02 131.788 9.85040e+01 131.788 0.8537 
1 1 1 4  6  27 o 17 2.55284e+02 4.65966e+01 1.36465e+02 148.801 -6.99649e+00 4.23703e+00  0.00000e+00 0.00000e+00 2.48603e+02 148.801 1.12138e+02 148.801 0.9367 
1 1 1 4  6  28 o 8  1.40364e+02 3.72099e+01 8.91535e+01 53.829  2.12848e+00  2.91132e+00  0.00000e+00 0.00000e+00 1.04845e+02 53.829  1.56920e+01 53.829  0.8465 
1 1 1 4  6  29 o 1  1.21341e+02 3.72592e+01 1.14982e+02 320.117 3.69157e+00  -3.08476e+00 0.00000e+00 0.00000e+00 6.36609e+01 320.117 5.13212e+01 140.117 0.8888 
1 1 1 4  6  30 o 6  1.90598e+02 2.42571e+01 1.21491e+02 200.071 -1.13528e+01 -4.14809e+00 0.00000e+00 0.00000e+00 1.85397e+02 200.071 6.39058e+01 200.071 0.9577 
1 1 1 4  6  31 o 9  1.15797e+02 3.83797e+01 1.06151e+02 60.438  2.30954e+00  4.07178e+00  0.00000e+00 0.00000e+00 6.88993e+01 60.438  3.72521e+01 240.438 0.8854 
1 1 1 4  6  32 o 7  1.25041e+02 3.22741e+01 8.76420e+01 11.878  5.86179e+00  1.23290e+00  0.00000e+00 0.00000e+00 1.10218e+02 11.878  2.25758e+01 11.878  0.9122 
1 1 1 4  6  33 o 10 1.01176e+02 3.51757e+01 5.27162e+01 206.697 -2.67099e+00 -1.34322e+00 0.00000e+00 0.00000e+00 9.16550e+01 206.697 3.89389e+01 206.697 0.8092 
1 1 1 4  6  34 o 15 7.68518e+01 3.32042e+01 4.62541e+01 230.840 -1.56753e+00 -1.92470e+00 0.00000e+00 0.00000e+00 5.89131e+01 230.840 1.26590e+01 230.840 0.7631 
1 1 1 4  6  35 o 3  6.80101e+01 3.29910e+01 9.83691e+00 251.486 -1.50947e-01 -4.50762e-01 0.00000e+00 0.00000e+00 1.88585e+01 251.486 9.02155e+00 251.486 0.2312 
1 1 1 4  6  36 o 6  6.74896e+01 3.16084e+01 2.02311e+01 38.479  8.99489e-01  7.14959e-01  0.00000e+00 0.00000e+00 4.20476e+01 38.479  2.18165e+01 38.479  0.4967 
1 1 1 4  6  37 o 2  7.67512e+01 3.50016e+01 2.19637e+01 70.885  4.06061e-01  1.17163e+00  0.00000e+00 0.00000e+00 5.42864e+01 70.885  3.23227e+01 70.885  0.5250 
1 1 1 4  6  38 o 18 5.42473e+01 2.70139e+01 8.70401e+00 37.845  4.36728e-01  3.39309e-01  0.00000e+00 0.00000e+00 1.91719e+01 37.845  1.04679e+01 37.845  0.2665 
1 1 1 4  7  0  o 15 5.70315e+02 2.01371e+01 4.47739e+02 0.000   2.49487e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.11327e+02 0.000   1.36411e+02 180.000 0.9865 
1 1 1 4  7  1  o 3  4.17216e+02 1.19455e+01 7.28753e+02 193.909 -5.72516e+00 -1.41780e+00 0.00000e+00 0.00000e+00 2.15956e+02 13.909  9.44709e+02 13.909  0.9107 
1 1 1 4  7  2  o 12 2.37518e+02 1.13702e+01 2.86282e+02 144.289 -1.67062e+00 1.20095e+00  0.00000e+00 0.00000e+00 5.94905e+01 324.289 3.45773e+02 324.289 0.7070 
1 1 1 4  7  3  o 16 7.76501e+02 2.50495e+01 7.79328e+02 330.416 1.51750e+01  -8.61509e+00 0.00000e+00 0.00000e+00 2.40166e+02 330.416 5.39162e+02 150.416 0.9709 
1 1 1 4  7  4  o 8  8.08865e+02 2.58426e+01 4.87799e+02 102.570 -2.35214e+00 1.05486e+01  0.00000e+00 0.00000e+00 5.55945e+02 102.570 6.81467e+01 102.570 0.9525 
1 1 1 4  7  5  o 10 1.60042e+03 3.82031e+01 8.47992e+02 13.530  3.32567e+01  8.00263e+00  0.00000e+00 0.00000e+00 1.29295e+03 13.530  4.44962e+02 13.530  0.9853 
1 1 1 4  7  6  o 4  6.57799e+02 1.56898e+01 5.39402e+02 279.074 1.34299e+00  -8.40933e+00 0.00000e+00 0.00000e+00 3.01843e+02 279.074 2.37558e+02 99.074  0.9393 
1 1 1 4  7  7  o 8  7.39021e+02 1.71873e+01 4.90889e+02 141.951 -6.96820e+00 5.45381e+00  0.00000e+00 0.00000e+00 4.59720e+02 141.951 3.11693e+01 321.951 0.9417 
1 1 1 4  7  8  o 6  4.66819e+02 1.46959e+01 4.35446e+02 192.822 -8.26887e+00 -1.88203e+00 0.00000e+00 0.00000e+00 1.65620e+02 192.822 2.69826e+02 12.822  0.9390 
1 1 1 4  7  9  o 2  4.58619e+02 1.48021e+01 3.83605e+02 135.241 -6.79816e+00 6.74113e+00  0.00000e+00 0.00000e+00 2.13982e+02 135.241 1.69624e+02 315.241 0.9462 
1 1 1 4  7  10 o 18 3.94206e+02 1.39500e+01 2.93972e+02 70.057  2.36869e+00  6.52829e+00  0.00000e+00 0.00000e+00 2.10518e+02 70.057  8.34536e+01 250.057 0.9249 
1 1 1 4  7  11 o 14 6.19274e+02 1.52729e+01 5.09851e+02 348.829 2.07725e+01  -4.10205e+00 0.00000e+00 0.00000e+00 3.30970e+02 348.829 1.78881e+02 168.829 0.9761 
1 1 1 4  7  12 o 3  5.03725e+02 1.36123e+01 3.53962e+02 329.669 1.12099e+01  -6.55872e+00 0.00000e+00 0.00000e+00 3.23099e+02 329.669 3.08631e+01 149.669 0.9607 
1 1 1 4  7  13 o 8  3.37443e+02 1.36095e+01 3.10866e+02 187.661 -9.66703e+00 -1.30029e+00 0.00000e+00 0.00000e+00 1.39181e+02 187.661 1.71685e+02 7.661   0.9473 
1 1 1 4  7  14 o 16 2.05279e+02 1.38558e+01 1.30287e+02 127.929 -1.52114e+00 1.95195e+00  0.00000e+00 0.00000e+00 9.15147e+01 127.929 3.87722e+01 307.929 0.7622 
1 1 1 4  7  15 o 13 3.39869e+02 1.22105e+01 1.38760e+02 255.437 -1.42341e+00 -5.47907e+00 0.00000e+00 0.00000e+00 3.01305e+02 255.437 1.62545e+02 255.437 0.9067 
1 1 1 4  7  16 o 5  1.91165e+02 1.27131e+01 4.06318e+01 105.525 -2.81469e-01 1.01322e+00  0.00000e+00 0.00000e+00 8.71267e+01 105.525 4.64949e+01 105.525 0.4644 
1 1 1 4  7  17 o 5  1.15059e+02 1.79909e+01 1.16704e+02 302.774 1.09104e+00  -1.69466e+00 0.00000e+00 0.00000e+00 2.28340e-01 302.774 1.16476e+02 122.774 0.7003 
1 1 1 4  7  18 o 19 1.41951e+02 1.76210e+01 1.03630e+02 194.794 -1.88950e+00 -4.99018e-01 0.00000e+00 0.00000e+00 3.97953e+01 194.794 6.38351e+01 14.794  0.6901 
1 1 1 4  7  19 o 18 1.71850e+02 2.00041e+01 8.41574e+01 74.345  7.76177e-01  2.76965e+00  0.00000e+00 0.00000e+00 1.19114e+02 74.345  3.49569e+01 74.345  0.8004 
1 1 1 4  7  20 o 3  6.10958e+01 2.47334e+01 4.54966e+01 97.008  -6.67112e-02 5.42686e-01  0.00000e+00 0.00000e+00 2.14569e+01 277.008 6.69535e+01 277.008 0.2637 
1 1 1 4  7  21 o 11 2.01191e+02 1.95150e+01 1.08913e+02 338.894 4.30648e+00  -1.66225e+00 0.00000e+00 0.00000e+00 1.59166e+02 338.894 5.02524e+01 338.894 0.8836 
1 1 1 4  7  22 o 5  8.23412e+01 2.91902e+01 7.83806e+01 302.359 7.17826e-01  -1.13290e+00 0.00000e+00 0.00000e+00 8.80078e+00 122.359 8.71814e+01 122.359 0.5543 
1 1 1 4  7  23 o 9  1.14376e+02 3.12235e+01 6.54140e+01 13.174  1.17741e+00  2.75597e-01  0.00000e+00 0.00000e+00 2.55121e+01 13.174  3.99019e+01 193.174 0.5156 
1 1 1 4  7  24 o 12 1.35242e+02 3.93355e+01 3.65109e+01 211.012 -7.92345e-01 -4.76319e-01 0.00000e+00 0.00000e+00 5.18951e+01 211.012 1.53841e+01 211.012 0.4190 
1 1 1 4  7  25 o 14 6.23697e+01 2.85540e+01 4.70524e+01 155.987 -5.26153e-01 2.34405e-01  0.00000e+00 0.00000e+00 1.97951e+01 335.987 6.68475e+01 335.987 0.2767 
1 1 1 4  7  26 o 6  1.20727e+02 3.60028e+01 4.09667e+01 52.752  7.08689e-01  9.32050e-01  0.00000e+00 0.00000e+00 5.63217e+01 52.752  1.53551e+01 52.752  0.5037 
1 1 1 4  7  27 o 13 9.20996e+01 3.66331e+01 4.27701e+01 194.283 -9.99453e-01 -2.54443e-01 0.00000e+00 0.00000e+00 2.55352e+01 194.283 1.72349e+01 14.283  0.4574 
1 1 1 4  7  28 o 14 1.76214e+02 3.25913e+01 8.35200e+01 335.464 4.97184e+00  -2.26953e+00 0.00000e+00 0.00000e+00 1.78145e+02 335.464 9.46247e+01 335.464 0.9032 
1 1 1 4  7  29 o 17 1.17832e+02 3.60277e+01 4.27780e+01 58.340  9.13838e-01  1.48193e+00  0.00000e+00 0.00000e+00 8.50351e+01 58.340  4.22570e+01 58.340  0.6503 
1 1 1 4  7  30 o 12 7.58126e+01 2.93352e+01 7.26886e+01 107.116 -8.22493e-01 2.67086e+00  0.00000e+00 0.00000e+00 2.91647e+01 107.116 4.35240e+01 287.116 0.7936 
1 1 1 4  7  31 o 13 7.46752e+01 3.24576e+01 1.95451e+01 20.723  6.22159e-01  2.35384e-01  0.00000e+00 0.00000e+00 2.09544e+01 20.723  1.40927e+00 20.723  0.3155 
1 1 1 4  7  32 o 17 6.65276e+01 2.90448e+01 4.36740e+01 232.991 -1.09086e+00 -1.44717e+00 0.00000e+00 0.00000e+00 3.35334e+01 232.991 1.01406e+01 52.991  0.6644 
1 1 1 4  7  33 o 2  5.96123e+01 2.77315e+01 1.64621e+01 229.895 -4.82916e-01 -5.73384e-01 0.00000e+00 0.00000e+00 2.06632e+01 229.895 4.20111e+00 229.895 0.3507 
1 1 1 4  7  34 o 1  6.37563e+01 2.95212e+01 2.81143e+01 340.642 1.35138e+00  -4.74787e-01 0.00000e+00 0.00000e+00 3.85439e+01 340.642 1.04296e+01 340.642 0.5790 
1 1 1 4  7  35 o 2  6.04284e+01 2.88042e+01 2.51421e+01 318.916 9.86463e-01  -8.60074e-01 0.00000e+00 0.00000e+00 3.53947e+01 318.916 1.02527e+01 318.916 0.5452 
1 1 1 4  7  36 o 12 5.96130e+01 2.97644e+01 2.02218e+01 357.041 1.09379e+00  -5.65292e-02 0.00000e+00 0.00000e+00 3.32102e+01 357.041 1.29884e+01 357.041 0.4791 
1 1 1 4  7  37 o 12 6.15030e+01 2.98175e+01 1.86289e+01 123.576 -6.00321e-01 9.04373e-01  0.00000e+00 0.00000e+00 3.71391e+01 123.576 1.85101e+01 123.576 0.4759 
1 1 1 4  7  38 o 7  5.48646e+01 2.74131e+01 2.46390e+01 91.713  -4.59289e-02 1.53570e+00  0.00000e+00 0.00000e+00 3.98179e+01 91.713  1.51790e+01 91.713  0.6050 
1 1 1 4  8  0  o 19 9.47296e+02 2.93005e+01 5.43531e+02 0.000   7.04493e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.44826e+02 0.000   2.01295e+02 0.000   1.0000 
1 1 1 4  8  1  o 15 5.23651e+02 1.34750e+01 2.62447e+02 217.532 -2.97529e+00 -2.28570e+00 0.00000e+00 0.00000e+00 3.45382e+02 217.532 8.29349e+01 217.532 0.8533 
1 1 1 4  8  2  o 18 6.00200e+02 1.69691e+01 4.37859e+02 106.566 -1.98298e+00 6.66632e+00  0.00000e+00 0.00000e+00 3.17997e+02 106.566 1.19862e+02 286.566 0.9250 
1 1 1 4  8  3  o 7  7.12890e+02 2.35453e+01 3.44283e+02 24.559  5.68749e+00  2.59898e+00  0.00000e+00 0.00000e+00 5.45969e+02 24.559  2.01686e+02 24.559  0.9161 
1 1 1 4  8  4  f 0  8.34823e+02 2.66953e+01 5.37443e+02 202.417 -1.00810e+01 -4.15850e+00 0.00000e+00 0.00000e+00 5.48942e+02 202.417 1.14991e+01 202.417 0.9530 
1 1 1 4  8  5  o 11 1.85244e+02 1.41888e+01 1.56843e+02 55.517  4.19124e-01  6.10211e-01  0.00000e+00 0.00000e+00 6.88916e+01 235.517 2.25735e+02 235.517 0.3469 
1 1 1 4  8  6  o 18 1.61014e+03 3.32127e+01 1.17371e+03 290.142 1.53552e+01  -4.18659e+01 0.00000e+00 0.00000e+00 1.01120e+03 290.142 1.62511e+02 110.142 0.9887 
1 1 1 4  8  7  o 6  1.10583e+03 2.36467e+01 7.61597e+02 97.161  -4.30325e+00 3.42522e+01  0.00000e+00 0.00000e+00 7.38858e+02 97.161  2.27390e+01 277.161 0.9854 
1 1 1 4  8  8  o 8  6.74653e+02 1.84558e+01 4.89222e+02 95.256  -1.64151e+00 1.78450e+01  0.00000e+00 0.00000e+00 4.16857e+02 95.256  7.23648e+01 275.256 0.9717 
1 1 1 4  8  9  o 15 6.49531e+02 1.56939e+01 2.94667e+02 183.892 -9.65884e+00 -6.57148e-01 0.00000e+00 0.00000e+00 5.59031e+02 183.892 2.64363e+02 183.892 0.9469 
1 1 1 4  8  10 o 14 7.42396e+02 2.00144e+01 4.59739e+02 274.845 1.60580e+00  -1.89465e+01 0.00000e+00 0.00000e+00 5.48125e+02 274.845 8.83861e+01 274.845 0.9733 
1 1 1 4  8  11 o 7  8.74350e+02 1.95885e+01 6.64524e+02 325.860 3.54789e+01  -2.40576e+01 0.00000e+00 0.00000e+00 5.47083e+02 325.860 1.17441e+02 145.860 0.9883 
1 1 1 4  8  12 o 6  4.15014e+02 1.24611e+01 2.09297e+02 169.757 -8.18395e+00 1.47884e+00  0.00000e+00 0.00000e+00 3.39603e+02 169.757 1.30306e+02 169.757 0.9378 
1 1 1 4  8  13 o 7  5.38089e+02 1.42891e+01 4.86150e+02 224.748 -1.77080e+01 -1.75528e+01 0.00000e+00 0.00000e+00 2.62060e+02 224.748 2.24090e+02 44.748  0.9797 
1 1 1 4  8  14 o 9  1.00379e+02 1.70004e+01 6.89213e+01 104.523 -1.58401e-01 6.11472e-01  0.00000e+00 0.00000e+00 2.57387e+01 284.523 9.46600e+01 284.523 0.3011 
1 1 1 4  8  15 o 9  1.41437e+02 1.34345e+01 2.33518e+02 40.082  2.74533e+00  2.31029e+00  0.00000e+00 0.00000e+00 6.13678e+01 220.082 2.94886e+02 220.082 0.8456 
1 1 1 4  8  16 o 5  2.62130e+02 1.25384e+01 6.32922e+01 162.950 -2.07745e+00 6.37125e-01  0.00000e+00 0.00000e+00 2.12117e+02 162.950 1.48825e+02 162.950 0.7242 
1 1 1 4  8  17 o 14 1.22068e+02 1.77969e+01 1.07255e+02 33.411  1.80495e+00  1.19062e+00  0.00000e+00 0.00000e+00 2.17969e+01 33.411  8.54578e+01 213.411 0.7227 
1 1 1 4  8  18 o 15 4.04980e+02 1.64556e+01 1.29752e+02 330.318 7.56036e+00  -4.30919e+00 0.00000e+00 0.00000e+00 4.32460e+02 330.318 3.02708e+02 330.318 0.9407 
1 1 1 4  8  19 o 10 6.62374e+01 2.48064e+01 6.81358e+01 258.781 -1.61309e-01 -8.13289e-01 0.00000e+00 0.00000e+00 3.03850e+01 78.781  9.85207e+01 78.781  0.3826 
1 1 1 4  8  20 o 5  1.57246e+02 1.98754e+01 2.25946e+01 182.592 -7.25404e-01 -3.28346e-02 0.00000e+00 0.00000e+00 5.80887e+01 182.592 3.54941e+01 182.592 0.3411 
1 1 1 4  8  21 o 2  8.32243e+01 2.95086e+01 3.20666e+01 270.690 7.20725e-03  -5.98269e-01 0.00000e+00 0.00000e+00 4.17917e+00 270.690 2.78874e+01 90.690  0.2865 
1 1 1 4  8  22 o 4  2.41976e+02 1.87314e+01 1.77526e+02 146.078 -7.85153e+00 5.28046e+00  0.00000e+00 0.00000e+00 1.74057e+02 146.078 3.46886e+00 326.078 0.9456 
1 1 1 4  8  23 o 16 2.91382e+02 1.85197e+01 1.39717e+02 209.529 -6.11846e+00 -3.46580e+00 0.00000e+00 0.00000e+00 2.79565e+02 209.529 1.39848e+02 209.529 0.9259 
1 1 1 4  8  24 o 8  2.80666e+02 3.49141e+01 1.79819e+02 327.115 7.68767e+00  -4.97054e+00 0.00000e+00 0.00000e+00 2.36718e+02 327.115 5.68988e+01 327.115 0.9437 
1 1 1 4  8  25 o 5  2.09750e+02 2.58635e+01 8.78896e+01 73.205  1.07448e+00  3.56004e+00  0.00000e+00 0.00000e+00 1.96569e+02 73.205  1.08679e+02 73.205  0.8518 
1 1 1 4  8  26 o 7  1.95055e+02 2.77101e+01 1.79319e+02 99.613  -1.67132e+00 9.86796e+00  0.00000e+00 0.00000e+00 1.19113e+02 99.613  6.02064e+01 279.613 0.9486 
1 1 1 4  8  27 o 16 2.23160e+02 5.29965e+01 1.25018e+02 296.281 2.63666e+00  -5.33931e+00 0.00000e+00 0.00000e+00 2.07515e+02 296.281 8.24969e+01 296.281 0.9117 
1 1 1 4  8  28 o 16 1.78629e+02 3.31541e+01 1.26779e+02 242.239 -3.84081e+00 -7.29676e+00 0.00000e+00 0.00000e+00 1.50692e+02 242.239 2.39132e+01 242.239 0.9372 
1 1 1 4  8  29 o 4  6.02190e+01 2.74154e+01 1.97944e+01 102.644 -1.06139e-01 4.73129e-01  0.00000e+00 0.00000e+00 4.05845e+00 102.644 1.57360e+01 282.644 0.2356 
1 1 1 4  8  30 o 8  1.41178e+02 3.83338e+01 1.19912e+02 51.310  4.22364e+00  5.27392e+00  0.00000e+00 0.00000e+00 1.02393e+02 51.310  1.75189e+01 231.310 0.9227 
1 1 1 4  8  31 o 16 5.20488e+01 2.43721e+01 1.67816e+01 32.629  4.83644e-01  3.09645e-01  0.00000e+00 0.00000e+00 8.10622e+00 32.629  8.67534e+00 212.629 0.2759 
1 1 1 4  8  32 o 18 1.07218e+02 3.49043e+01 1.09881e+02 218.513 -4.93931e+00 -3.93069e+00 0.00000e+00 0.00000e+00 6.32252e+01 218.513 4.66559e+01 38.513  0.9170 
1 1 1 4  8  33 o 5  6.93949e+01 3.06339e+01 1.77454e+01 246.520 -3.44884e-01 -7.93932e-01 0.00000e+00 0.00000e+00 3.15337e+01 246.520 1.37882e+01 246.520 0.3968 
1 1 1 4  8  34 o 15 5.67175e+01 2.71844e+01 8.21924e+01 31.892  3.58022e+00  2.22779e+00  0.00000e+00 0.00000e+00 7.77256e+00 31.892  7.44198e+01 211.892 0.8714 
1 1 1 4  8  35 o 11 6.48858e+01 3.04225e+01 3.03657e+01 351.881 1.58544e+00  -2.26174e-01 0.00000e+00 0.00000e+00 4.41794e+01 351.881 1.38137e+01 351.881 0.6202 
1 1 1 4  8  36 o 18 6.84625e+01 3.36082e+01 1.01725e+01 174.618 -5.16961e-01 4.87061e-02  0.00000e+00 0.00000e+00 2.22650e+01 174.618 1.20925e+01 174.618 0.2513 
1 1 1 4  8  37 o 13 5.46505e+01 2.70535e+01 1.70842e+01 251.104 -3.31681e-01 -9.68990e-01 0.00000e+00 0.00000e+00 3.06672e+01 251.104 1.35829e+01 251.104 0.4549 
1 1 1 4  8  38 o 13 6.28677e+01 3.06562e+01 2.27279e+01 254.138 -3.69350e-01 -1.29990e+00 0.00000e+00 0.00000e+00 4.58402e+01 254.138 2.31123e+01 254.138 0.5572 
1 1 1 4  9  0  o 1  1.92005e+03 5.58742e+01 1.30566e+03 180.000 -2.95168e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.32945e+03 180.000 2.37898e+01 180.000 1.0000 
1 1 1 4  9  1  o 16 1.07828e+03 2.30810e+01 8.52825e+02 2.653   2.18647e+01  1.01308e+00  0.00000e+00 0.00000e+00 5.93185e+02 2.653   2.59640e+02 182.653 0.9769 
1 1 1 4  9  2  o 8  7.03043e+02 1.89257e+01 3.78085e+02 277.995 9.51076e-01  -6.77184e+00 0.00000e+00 0.00000e+00 5.14047e+02 277.995 1.35962e+02 277.995 0.9237 
1 1 1 4  9  3  o 19 5.49507e+02 1.97565e+01 4.94750e+02 144.266 -5.51232e+00 3.96591e+00  0.00000e+00 0.00000e+00 2.03005e+02 144.266 2.91745e+02 324.266 0.9231 
1 1 1 4  9  4  o 8  9.02967e+02 2.82851e+01 6.55763e+02 309.924 9.06767e+00  -1.08356e+01 0.00000e+00 0.00000e+00 5.43625e+02 309.924 1.12137e+02 129.924 0.9639 
1 1 1 4  9  5  o 12 7.87231e+02 2.06609e+01 5.55827e+02 198.196 -1.75582e+01 -5.77146e+00 0.00000e+00 0.00000e+00 5.01584e+02 198.196 5.42438e+01 18.196  0.9726 
1 1 1 4  9  6  o 12 5.27884e+02 1.36645e+01 1.85588e+02 58.832  2.04183e+00  3.37573e+00  0.00000e+00 0.00000e+00 4.44157e+02 58.832  2.58569e+02 58.832  0.8614 
1 1 1 4  9  7  o 2  1.53927e+02 1.34257e+01 1.92615e+02 243.896 -7.00790e-01 -1.43025e+00 0.00000e+00 0.00000e+00 6.03886e+01 63.896  2.53004e+02 63.896  0.6182 
1 1 1 4  9  8  o 15 9.36761e+02 2.06451e+01 6.29825e+02 79.573  6.36296e+00  3.45790e+01  0.00000e+00 0.00000e+00 6.58006e+02 79.573  2.81811e+01 79.573  0.9857 
1 1 1 4  9  9  o 2  1.87236e+02 1.01041e+01 3.20435e+02 349.845 3.33490e+00  -5.97317e-01 0.00000e+00 0.00000e+00 1.01432e+02 169.845 4.21867e+02 169.845 0.8350 
1 1 1 4  9  10 o 11 6.96659e+02 1.91935e+01 5.38985e+02 297.755 1.10946e+01  -2.10826e+01 0.00000e+00 0.00000e+00 4.20737e+02 297.755 1.18248e+02 117.755 0.9788 
1 1 1 4  9  11 o 11 2.80831e+02 1.11015e+01 2.04486e+02 145.715 -4.62066e+00 3.15021e+00  0.00000e+00 0.00000e+00 1.55332e+02 145.715 4.91548e+01 325.715 0.9055 
1 1 1 4  9  12 o 9  9.05106e+02 2.02495e+01 7.30177e+02 142.475 -5.02235e+01 3.85727e+01  0.00000e+00 0.00000e+00 5.47736e+02 142.475 1.82441e+02 322.475 0.9921 
1 1 1 4  9  13 o 7  4.78473e+02 1.34957e+01 3.97475e+02 40.880  1.35322e+01  1.17135e+01  0.00000e+00 0.00000e+00 2.68354e+02 40.880  1.29121e+02 220.880 0.9716 
1 1 1 4  9  14 o 18 5.21606e+02 1.64433e+01 2.65447e+02 236.359 -9.00823e+00 -1.35376e+01 0.00000e+00 0.00000e+00 4.63180e+02 236.359 1.97732e+02 236.359 0.9687 
1 1 1 4  9  15 o 17 1.29367e+02 1.42744e+01 1.05120e+02 237.478 -9.80579e-01 -1.53789e+00 0.00000e+00 0.00000e+00 2.01478e+01 237.478 8.49720e+01 57.478  0.6666 
1 1 1 4  9  16 o 18 1.51423e+02 1.50530e+01 1.38593e+02 298.176 1.50290e+00  -2.80570e+00 0.00000e+00 0.00000e+00 4.37659e+01 298.176 9.48272e+01 118.176 0.8226 
1 1 1 4  9  17 o 1  1.19891e+02 1.84622e+01 4.64669e+01 214.999 -6.06856e-01 -4.24912e-01 0.00000e+00 0.00000e+00 1.49673e+01 214.999 3.14996e+01 34.999  0.3471 
1 1 1 4  9  18 o 13 1.07205e+02 2.43337e+01 4.86078e+01 3.013   1.01327e+00  5.33397e-02  0.00000e+00 0.00000e+00 2.34872e+01 3.013   2.51205e+01 183.013 0.4516 
1 1 1 4  9  19 o 16 1.82117e+02 1.70884e+01 6.26334e+01 102.165 -5.01165e-01 2.32492e+00  0.00000e+00 0.00000e+00 1.42986e+02 102.165 8.03527e+01 102.165 0.7511 
1 1 1 4  9  20 o 7  1.10501e+02 2.55081e+01 4.66913e+01 318.414 7.88559e-01  -6.99765e-01 0.00000e+00 0.00000e+00 3.13608e+01 318.414 1.53306e+01 138.414 0.4653 
1 1 1 4  9  21 o 17 2.00302e+02 2.11139e+01 2.30280e+02 349.107 1.02004e+01  -1.96297e+00 0.00000e+00 0.00000e+00 6.17697e+01 349.107 1.68510e+02 169.107 0.9506 
1 1 1 4  9  22 o 6  1.01329e+02 3.06050e+01 9.69530e+01 180.537 -2.06700e+00 -1.93737e-02 0.00000e+00 0.00000e+00 1.43645e+01 180.537 8.25886e+01 0.537   0.7085 
1 1 1 4  9  23 o 16 1.93860e+02 2.22419e+01 1.21259e+02 212.472 -3.63602e+00 -2.31392e+00 0.00000e+00 0.00000e+00 1.44600e+02 212.472 2.33415e+01 212.472 0.8745 
1 1 1 4  9  24 o 11 2.62190e+02 2.09230e+01 1.59166e+02 23.403  8.12751e+00  3.51766e+00  0.00000e+00 0.00000e+00 2.32676e+02 23.403  7.35109e+01 23.403  0.9417 
1 1 1 4  9  25 o 13 9.18672e+01 3.46197e+01 2.19418e+01 14.826  4.19755e-01  1.11104e-01  0.00000e+00 0.00000e+00 9.37139e+00 14.826  1.25705e+01 194.826 0.2121 
1 1 1 4  9  26 o 17 1.65986e+02 3.03653e+01 8.40986e+01 208.809 -3.78489e+00 -2.08152e+00 0.00000e+00 0.00000e+00 1.52216e+02 208.809 6.81171e+01 208.809 0.8748 
1 1 1 4  9  27 o 13 1.00203e+02 3.65799e+01 3.07035e+01 350.825 8.90103e-01  -1.43769e-01 0.00000e+00 0.00000e+00 3.71346e+01 350.825 6.43101e+00 350.825 0.4105 
1 1 1 4  9  28 o 7  9.10949e+01 3.49882e+01 2.45642e+01 104.544 -2.06550e-01 7.96128e-01  0.00000e+00 0.00000e+00 3.33261e+01 104.544 8.76196e+00 104.544 0.3800 
1 1 1 4  9  29 o 5  9.37033e+01 3.23270e+01 1.05380e+02 126.054 -2.50260e+00 3.43770e+00  0.00000e+00 0.00000e+00 3.33419e+01 126.054 7.20377e+01 306.054 0.8726 
1 1 1 4  9  30 o 14 6.37998e+01 2.94582e+01 5.31000e+01 283.227 3.98684e-01  -1.69622e+00 0.00000e+00 0.00000e+00 1.83816e+01 283.227 3.47184e+01 103.227 0.6506 
1 1 1 4  9  31 o 7  6.86666e+01 2.92638e+01 6.80134e+01 288.834 9.08438e-01  -2.66334e+00 0.00000e+00 0.00000e+00 2.74806e+01 288.834 4.05327e+01 108.834 0.7952 
1 1 1 4  9  32 o 12 4.84203e+01 2.35226e+01 3.51943e+01 45.683  1.01499e+00  1.03947e+00  0.00000e+00 0.00000e+00 1.50702e+01 45.683  2.01241e+01 225.683 0.5843 
1 1 1 4  9  33 o 10 6.67789e+01 3.02480e+01 4.19683e+01 349.523 2.09407e+00  -3.87239e-01 0.00000e+00 0.00000e+00 4.46250e+01 349.523 2.65675e+00 349.523 0.7179 
1 1 1 4  9  34 o 17 8.07064e+01 3.45973e+01 3.96407e+01 271.097 4.06740e-02  -2.12323e+00 0.00000e+00 0.00000e+00 6.66652e+01 271.097 2.70244e+01 271.097 0.7171 
1 1 1 4  9  35 o 13 6.48560e+01 3.05297e+01 2.71139e+01 90.708  -1.83290e-02 1.48414e+00  0.00000e+00 0.00000e+00 4.46784e+01 90.708  1.75646e+01 90.708  0.5922 
1 1 1 4  9  36 o 14 5.96018e+01 2.89309e+01 2.90222e+01 104.580 -4.19023e-01 1.61097e+00  0.00000e+00 0.00000e+00 4.29147e+01 104.580 1.38926e+01 104.580 0.6343 
1 1 1 4  9  37 o 4  6.03764e+01 2.95872e+01 1.55670e+01 102.886 -2.08771e-01 9.12558e-01  0.00000e+00 0.00000e+00 3.39707e+01 102.886 1.84037e+01 102.886 0.4233 
1 1 1 4  9  38 o 13 6.13205e+01 3.11179e+01 1.17244e+01 219.617 -5.16144e-01 -4.27257e-01 0.00000e+00 0.00000e+00 2.67361e+01 219.617 1.50117e+01 219.617 0.3175 
1 1 1 4  10 0  o 14 4.40428e+02 1.74307e+01 2.68293e+02 0.000   1.38702e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.70576e+02 0.000   2.28310e+00 0.000   0.8825 
1 1 1 4  10 1  o 16 1.35548e+03 2.82727e+01 1.07975e+03 123.853 -1.88424e+01 2.80907e+01  0.00000e+00 0.00000e+00 7.71958e+02 123.853 3.07793e+02 303.853 0.9851 
1 1 1 4  10 2  o 2  4.36545e+02 1.41645e+01 1.64418e+02 70.631  1.01218e+00  2.87918e+00  0.00000e+00 0.00000e+00 3.28580e+02 70.631  1.64161e+02 70.631  0.8138 
1 1 1 4  10 3  o 9  8.99985e+02 2.81537e+01 6.41832e+02 224.923 -1.66738e+01 -1.66289e+01 0.00000e+00 0.00000e+00 5.81889e+02 224.923 5.99429e+01 44.923  0.9785 
1 1 1 4  10 4  f 0  6.57797e+02 3.17775e+01 5.55388e+02 55.716  8.06477e+00  1.18296e+01  0.00000e+00 0.00000e+00 3.27685e+02 55.716  2.27703e+02 235.716 0.9644 
1 1 1 4  10 5  o 11 1.03780e+03 2.58810e+01 4.65855e+02 243.354 -1.15968e+01 -2.31114e+01 0.00000e+00 0.00000e+00 9.53768e+02 243.354 4.87912e+02 243.354 0.9805 
1 1 1 4  10 6  o 15 1.10701e+03 2.37128e+01 8.17248e+02 151.149 -4.05696e+01 2.23500e+01  0.00000e+00 0.00000e+00 7.14696e+02 151.149 1.02552e+02 331.149 0.9891 
1 1 1 4  10 7  o 18 4.16184e+02 1.38994e+01 3.27209e+02 28.644  7.02580e+00  3.83759e+00  0.00000e+00 0.00000e+00 2.19154e+02 28.644  1.08055e+02 208.644 0.9353 
1 1 1 4  10 8  o 14 9.93301e+02 2.17368e+01 8.29223e+02 309.196 3.47100e+01  -4.25642e+01 0.00000e+00 0.00000e+00 5.57490e+02 309.196 2.71733e+02 129.196 0.9909 
1 1 1 4  10 9  o 11 1.00994e+02 1.08695e+01 1.19406e+02 164.091 -8.70618e-01 2.48152e-01  0.00000e+00 0.00000e+00 6.05534e+01 344.091 1.79960e+02 344.091 0.4118 
1 1 1 4  10 10 o 2  6.18521e+02 1.78084e+01 4.61941e+02 255.454 -6.90747e+00 -2.66210e+01 0.00000e+00 0.00000e+00 4.01333e+02 255.454 6.06084e+01 75.454  0.9816 
1 1 1 4  10 11 o 13 6.94103e+01 1.90409e+01 2.07143e+02 201.321 -1.29733e+00 -5.06362e-01 0.00000e+00 0.00000e+00 1.50746e+02 21.321  3.57889e+02 21.321  0.5685 
1 1 1 4  10 12 o 17 4.98427e+02 1.37088e+01 2.23374e+02 246.234 -4.27478e+00 -9.70801e+00 0.00000e+00 0.00000e+00 4.58535e+02 246.234 2.35162e+02 246.234 0.9516 
1 1 1 4  10 13 o 9  8.33970e+02 1.91698e+01 6.92255e+02 30.306  5.90227e+01  3.44985e+01  0.00000e+00 0.00000e+00 5.05439e+02 30.306  1.86816e+02 210.306 0.9927 
1 1 1 4  10 14 o 17 6.37070e+02 1.85997e+01 4.08487e+02 47.622  1.84436e+01  2.02141e+01  0.00000e+00 0.00000e+00 5.02377e+02 47.622  9.38891e+01 47.622  0.9816 
1 1 1 4  10 15 o 1  1.25863e+02 1.49874e+01 2.32548e+02 245.512 -1.88230e+00 -4.13255e+00 0.00000e+00 0.00000e+00 6.97453e+01 65.512  3.02293e+02 65.512  0.8815 
1 1 1 4  10 16 o 7  3.83784e+02 1.35581e+01 2.65873e+02 253.729 -3.95791e+00 -1.35608e+01 0.00000e+00 0.00000e+00 2.81213e+02 253.729 1.53399e+01 253.729 0.9639 
1 1 1 4  10 17 o 13 1.20015e+02 2.20599e+01 1.23465e+02 164.572 -2.29780e+00 6.34126e-01  0.00000e+00 0.00000e+00 1.10698e+01 164.572 1.12395e+02 344.572 0.7517 
1 1 1 4  10 18 o 11 6.52401e+01 2.40732e+01 8.38655e+01 107.242 -2.99630e-01 9.65422e-01  0.00000e+00 0.00000e+00 3.96768e+01 287.242 1.23542e+02 287.242 0.4502 
1 1 1 4  10 19 o 5  1.46714e+02 1.95404e+01 9.09245e+01 256.896 -6.22068e-01 -2.67226e+00 0.00000e+00 0.00000e+00 8.48783e+01 256.896 6.04612e+00 76.896  0.7891 
1 1 1 4  10 20 o 9  2.02389e+02 2.00114e+01 4.03765e+01 349.991 1.97482e+00  -3.48523e-01 0.00000e+00 0.00000e+00 1.76463e+02 349.991 1.36087e+02 349.991 0.6986 
1 1 1 4  10 21 o 11 7.40070e+01 2.84116e+01 9.17862e+01 150.213 -1.21535e+00 6.95678e-01  0.00000e+00 0.00000e+00 2.63634e+01 330.213 1.18150e+02 330.213 0.5705 
1 1 1 4  10 22 o 5  3.28086e+02 1.75676e+01 1.50811e+02 236.808 -4.75623e+00 -7.27040e+00 0.00000e+00 0.00000e+00 3.32545e+02 236.808 1.81734e+02 236.808 0.9406 
1 1 1 4  10 23 o 15 7.39254e+01 2.99423e+01 8.87914e+01 322.916 1.00709e+00  -7.61203e-01 0.00000e+00 0.00000e+00 2.65226e+01 142.916 1.15314e+02 142.916 0.5317 
1 1 1 4  10 24 o 12 2.76957e+02 2.12794e+01 1.28778e+02 99.122  -1.19837e+00 7.46296e+00  0.00000e+00 0.00000e+00 2.84711e+02 99.122  1.55933e+02 99.122  0.9313 
1 1 1 4  10 25 o 4  2.00829e+02 3.57359e+01 5.23998e+01 14.252  2.42532e+00  6.16040e-01  0.00000e+00 0.00000e+00 1.97040e+02 14.252  1.44640e+02 14.252  0.7653 
1 1 1 4  10 26 o 2  2.50358e+02 3.11163e+01 1.26894e+02 276.390 1.00854e+00  -9.00494e+00 0.00000e+00 0.00000e+00 2.61289e+02 276.390 1.34395e+02 276.390 0.9431 
1 1 1 4  10 27 o 6  6.63133e+01 2.94191e+01 8.16354e+01 249.395 -7.55060e-01 -2.00827e+00 0.00000e+00 0.00000e+00 2.05101e+00 69.395  8.36864e+01 69.395  0.7203 
1 1 1 4  10 28 o 19 1.52241e+02 4.53592e+01 1.43050e+02 79.576  1.11614e+00  6.06681e+00  0.00000e+00 0.00000e+00 9.22679e+01 79.576  5.07820e+01 259.576 0.9149 
1 1 1 4  10 29 f 0  8.16314e+01 3.10066e+01 7.78180e+01 142.683 -2.46214e+00 1.87683e+00  0.00000e+00 0.00000e+00 3.64651e+01 142.683 4.13529e+01 322.683 0.8168 
1 1 1 4  10 30 o 6  7.52889e+01 3.30629e+01 4.43861e+01 215.750 -1.22057e+00 -8.78695e-01 0.00000e+00 0.00000e+00 3.38197e+01 215.750 1.05665e+01 35.750  0.5971 
1 1 1 4  10 31 o 2  7.27943e+01 3.12543e+01 8.31359e+01 303.439 1.94241e+00  -2.94143e+00 0.00000e+00 0.00000e+00 2.51936e+01 303.439 5.79423e+01 123.439 0.8424 
1 1 1 4  10 32 o 19 5.89956e+01 2.75366e+01 5.25964e+01 342.265 2.27803e+00  -7.28557e-01 0.00000e+00 0.00000e+00 2.71050e+01 342.265 2.54914e+01 162.265 0.7527 
1 1 1 4  10 33 o 2  6.87160e+01 3.11901e+01 3.44857e+01 4.621   1.78228e+00  1.44060e-01  0.00000e+00 0.00000e+00 4.82266e+01 4.621   1.37410e+01 4.621   0.6597 
1 1 1 4  10 34 o 9  5.23059e+01 2.56415e+01 5.52892e+00 317.798 2.13752e-01  -1.93835e-01 0.00000e+00 0.00000e+00 8.33074e+00 317.798 2.80181e+00 317.798 0.1428 
1 1 1 4  10 35 o 10 5.48234e+01 2.76679e+01 3.84031e+01 221.052 -1.62145e+00 -1.41210e+00 0.00000e+00 0.00000e+00 3.62280e+01 221.052 2.17503e+00 41.052  0.7210 
1 1 1 4  10 36 o 4  5.80420e+01 2.85035e+01 2.26761e+01 314.745 9.47225e-01  -9.55681e-01 0.00000e+00 0.00000e+00 3.93120e+01 314.745 1.66359e+01 314.745 0.5556 
1 1 1 4  10 37 o 17 5.93722e+01 3.01454e+01 1.37153e+01 55.617  4.43273e-01  6.47798e-01  0.00000e+00 0.00000e+00 2.87226e+01 55.617  1.50072e+01 55.617  0.3651 
1 1 1 4  10 38 o 1  5.45463e+01 2.73409e+01 1.64257e+01 118.206 -4.91451e-01 9.16313e-01  0.00000e+00 0.00000e+00 3.36753e+01 118.206 1.72496e+01 118.206 0.4603 
1 1 1 4  11 0  o 11 6.57414e+02 2.21854e+01 5.93110e+02 0.000   1.06868e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.28587e+02 0.000   2.64523e+02 180.000 1.0000 
1 1 1 4  11 1  o 12 3.52799e+02 1.11381e+01 3.12156e+02 307.057 3.63837e+00  -4.81832e+00 0.00000e+00 0.00000e+00 1.39522e+02 307.057 1.72635e+02 127.057 0.9129 
1 1 1 4  11 2  o 9  3.95182e+02 1.17027e+01 3.29938e+02 237.364 -3.80159e+00 -5.93618e+00 0.00000e+00 0.00000e+00 1.83670e+02 237.364 1.46268e+02 57.364  0.9261 
1 1 1 4  11 3  o 11 3.98011e+02 1.67083e+01 3.23855e+02 51.718  4.20130e+00  5.32314e+00  0.00000e+00 0.00000e+00 1.92364e+02 51.718  1.31491e+02 231.718 0.9230 
1 1 1 4  11 4  o 7  2.94786e+02 1.52669e+01 2.69561e+02 92.039  -1.44615e-01 4.06244e+00  0.00000e+00 0.00000e+00 8.97868e+01 92.039  1.79774e+02 272.039 0.8660 
1 1 1 4  11 5  o 8  9.62207e+02 2.43326e+01 4.59749e+02 157.616 -2.37542e+01 9.78288e+00  0.00000e+00 0.00000e+00 8.71111e+02 157.616 4.11362e+02 157.616 0.9803 
1 1 1 4  11 6  o 3  5.88395e+02 1.70299e+01 3.65287e+02 118.087 -6.93711e+00 1.29991e+01  0.00000e+00 0.00000e+00 4.38403e+02 118.087 7.31164e+01 118.087 0.9654 
1 1 1 4  11 7  o 14 7.67561e+02 2.52621e+01 4.16803e+02 296.395 9.15181e+00  -1.84405e+01 0.00000e+00 0.00000e+00 6.45900e+02 296.395 2.29097e+02 296.395 0.9754 
1 1 1 4  11 8  o 7  2.36456e+02 1.04831e+01 4.80166e+01 294.514 3.47028e-01  -7.60978e-01 0.00000e+00 0.00000e+00 8.18355e+01 294.514 3.38189e+01 294.514 0.3854 
1 1 1 4  11 9  o 11 4.15059e+02 1.23165e+01 3.68669e+02 215.266 -1.20283e+01 -8.50566e+00 0.00000e+00 0.00000e+00 2.04728e+02 215.266 1.63941e+02 35.266  0.9654 
1 1 1 4  11 10 o 13 4.50772e+02 1.29262e+01 3.23611e+02 152.406 -1.26407e+01 6.60678e+00  0.00000e+00 0.00000e+00 3.01363e+02 152.406 2.22483e+01 332.406 0.9643 
1 1 1 4  11 11 o 18 7.06642e+02 1.96319e+01 4.87490e+02 103.413 -7.52471e+00 3.15531e+01  0.00000e+00 0.00000e+00 5.18051e+02 103.413 3.05603e+01 103.413 0.9845 
1 1 1 4  11 12 o 7  1.75210e+02 1.13821e+01 2.05912e+01 51.178  2.75311e-01  3.42150e-01  0.00000e+00 0.00000e+00 3.40358e+01 51.178  1.34446e+01 51.178  0.2145 
1 1 1 4  11 13 o 17 7.69623e+02 1.81053e+01 5.55187e+02 255.408 -1.14607e+01 -4.40247e+01 0.00000e+00 0.00000e+00 5.58361e+02 255.408 3.17428e+00 255.408 0.9889 
1 1 1 4  11 14 o 14 4.77733e+02 1.38810e+01 3.80455e+02 288.164 8.95265e+00  -2.72882e+01 0.00000e+00 0.00000e+00 3.10903e+02 288.164 6.95521e+01 108.164 0.9824 
1 1 1 4  11 15 o 11 3.66744e+02 1.51773e+01 2.85948e+02 66.792  6.96596e+00  1.62465e+01  0.00000e+00 0.00000e+00 2.42622e+02 66.792  4.33259e+01 246.792 0.9713 
1 1 1 4  11 16 o 5  8.83648e+01 2.10987e+01 4.07582e+01 99.672  -9.97224e-02 5.85142e-01  0.00000e+00 0.00000e+00 3.16932e+00 279.672 4.39275e+01 279.672 0.2844 
1 1 1 4  11 17 o 15 4.06382e+01 1.87347e+01 1.32691e+01 40.163  8.24246e-02  6.95632e-02  0.00000e+00 0.00000e+00 9.96912e+00 220.163 2.32383e+01 220.163 0.0538 
1 1 1 4  11 18 o 9  2.69267e+02 1.71772e+01 1.10332e+02 138.021 -4.58261e+00 4.12319e+00  0.00000e+00 0.00000e+00 2.64436e+02 138.021 1.54105e+02 138.021 0.9148 
1 1 1 4  11 19 o 5  1.78671e+02 1.80743e+01 7.12267e+01 197.977 -2.60253e+00 -8.44460e-01 0.00000e+00 0.00000e+00 1.45092e+02 197.977 7.38650e+01 197.977 0.7884 
1 1 1 4  11 20 o 17 6.97178e+01 2.76576e+01 2.69748e+01 233.788 -2.37480e-01 -3.24334e-01 0.00000e+00 0.00000e+00 5.67140e+00 53.788  3.26462e+01 53.788  0.1970 
1 1 1 4  11 21 o 16 8.53872e+01 2.99680e+01 6.36044e+01 153.073 -1.02904e+00 5.22663e-01  0.00000e+00 0.00000e+00 3.07305e+00 153.073 6.05314e+01 333.073 0.4984 
1 1 1 4  11 22 o 13 2.51326e+02 1.95062e+01 4.99672e+01 233.858 -1.39101e+00 -1.90461e+00 0.00000e+00 0.00000e+00 2.48085e+02 233.858 1.98118e+02 233.858 0.7487 
1 1 1 4  11 23 o 14 2.85721e+02 1.96249e+01 1.68665e+02 337.530 9.62390e+00  -3.98039e+00 0.00000e+00 0.00000e+00 2.66518e+02 337.530 9.78531e+01 337.530 0.9507 
1 1 1 4  11 24 o 3  1.98698e+02 2.61862e+01 1.38783e+02 265.048 -5.68103e-01 -6.55645e+00 0.00000e+00 0.00000e+00 1.57745e+02 265.048 1.89611e+01 265.048 0.9205 
1 1 1 4  11 25 o 15 1.70825e+02 5.47615e+01 1.31830e+02 167.511 -4.47936e+00 9.92138e-01  0.00000e+00 0.00000e+00 1.15708e+02 167.511 1.61224e+01 347.511 0.8829 
1 1 1 4  11 26 o 9  1.63825e+02 2.91752e+01 7.22413e+01 62.104  1.79352e+00  3.38789e+00  0.00000e+00 0.00000e+00 1.61126e+02 62.104  8.88848e+01 62.104  0.8568 
1 1 1 4  11 27 o 14 1.18560e+02 3.63033e+01 9.89994e+01 326.981 3.53935e+00  -2.30013e+00 0.00000e+00 0.00000e+00 7.51016e+01 326.981 2.38977e+01 146.981 0.8715 
1 1 1 4  11 28 o 2  8.00965e+01 3.16784e+01 3.94420e+01 52.629  8.44943e-01  1.10631e+00  0.00000e+00 0.00000e+00 3.83260e+01 52.629  1.11597e+00 232.629 0.5683 
1 1 1 4  11 29 o 4  8.11632e+01 3.45496e+01 4.05954e+01 46.617  1.02346e+00  1.08293e+00  0.00000e+00 0.00000e+00 4.29169e+01 46.617  2.32151e+00 46.617  0.5937 
1 1 1 4  11 30 o 19 6.93771e+01 2.95557e+01 6.32274e+01 238.221 -1.31014e+00 -2.11480e+00 0.00000e+00 0.00000e+00 2.99756e+01 238.221 3.32519e+01 58.221  0.7637 
1 1 1 4  11 31 o 2  6.83803e+01 2.96268e+01 2.12819e+01 244.125 -4.05062e-01 -8.35104e-01 0.00000e+00 0.00000e+00 3.00685e+01 244.125 8.78665e+00 244.125 0.4204 
1 1 1 4  11 32 o 8  6.84669e+01 3.25823e+01 2.08784e+01 241.821 -4.38791e-01 -8.19052e-01 0.00000e+00 0.00000e+00 3.14077e+01 241.821 1.05293e+01 241.821 0.4207 
1 1 1 4  11 33 o 4  4.81045e+01 2.38998e+01 3.20976e+01 285.516 4.18762e-01  -1.50839e+00 0.00000e+00 0.00000e+00 2.22125e+01 285.516 9.88504e+00 105.516 0.6119 
1 1 1 4  11 34 o 4  5.60967e+01 2.72075e+01 3.16959e+01 140.213 -1.28641e+00 1.07130e+00  0.00000e+00 0.00000e+00 3.52865e+01 140.213 3.59056e+00 140.213 0.6363 
1 1 1 4  11 35 o 8  6.89511e+01 3.22151e+01 7.39788e+00 15.181  3.90975e-01  1.06089e-01  0.00000e+00 0.00000e+00 1.87379e+01 15.181  1.13400e+01 15.181  0.1985 
1 1 1 4  11 36 o 4  5.07276e+01 2.54751e+01 5.71371e+00 184.279 -3.45652e-01 -2.58653e-02 0.00000e+00 0.00000e+00 1.11250e+01 184.279 5.41131e+00 184.279 0.1708 
1 1 1 4  11 37 o 11 6.29205e+01 3.18799e+01 1.61310e+01 194.042 -8.62577e-01 -2.15729e-01 0.00000e+00 0.00000e+00 3.44183e+01 194.042 1.82873e+01 194.042 0.4057 
1 1 1 4  12 0  o 19 5.32213e+02 1.94242e+01 5.32192e+02 180.000 -8.35880e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.23179e+02 180.000 3.09012e+02 0.000   1.0000 
1 1 1 4  12 1  o 14 2.68322e+02 1.02316e+01 1.53760e+02 211.959 -2.06513e+00 -1.28839e+00 0.00000e+00 0.00000e+00 1.34841e+02 211.959 1.89196e+01 31.959  0.7576 
1 1 1 4  12 2  f 0  6.44843e+02 1.54586e+01 3.88576e+02 279.557 2.41231e+00  -1.43281e+01 0.00000e+00 0.00000e+00 4.95463e+02 279.557 1.06887e+02 279.557 0.9649 
1 1 1 4  12 3  o 1  7.88482e+02 2.54331e+01 6.31190e+02 148.293 -2.36959e+01 1.46391e+01  0.00000e+00 0.00000e+00 4.70125e+02 148.293 1.61065e+02 328.293 0.9819 
1 1 1 4  12 4  o 12 7.12347e+02 1.92916e+01 5.83280e+02 21.168  2.59716e+01  1.00570e+01  0.00000e+00 0.00000e+00 4.13449e+02 21.168  1.69831e+02 201.168 0.9819 
1 1 1 4  12 5  o 12 4.10057e+02 1.39747e+01 2.67593e+02 341.417 6.80822e+00  -2.28904e+00 0.00000e+00 0.00000e+00 2.75631e+02 341.417 8.03869e+00 341.417 0.9275 
1 1 1 4  12 6  o 7  5.08974e+02 1.89941e+01 3.32590e+02 81.187  1.90521e+00  1.22890e+01  0.00000e+00 0.00000e+00 3.66432e+02 81.187  3.38419e+01 81.187  0.9589 
1 1 1 4  12 7  o 3  3.54115e+02 1.15047e+01 2.30026e+02 310.193 5.18393e+00  -6.13593e+00 0.00000e+00 0.00000e+00 2.46003e+02 310.193 1.59768e+01 310.193 0.9355 
1 1 1 4  12 8  o 6  7.46150e+02 1.73609e+01 4.25532e+02 197.218 -2.82387e+01 -8.75108e+00 0.00000e+00 0.00000e+00 6.32348e+02 197.218 2.06816e+02 197.218 0.9829 
1 1 1 4  12 9  o 9  2.85864e+02 1.10490e+01 3.94896e+02 131.863 -7.27409e+00 8.11765e+00  0.00000e+00 0.00000e+00 2.73653e-01 311.863 3.95169e+02 311.863 0.9530 
1 1 1 4  12 10 o 17 7.83226e+02 1.81453e+01 4.30614e+02 344.270 3.04135e+01  -8.56594e+00 0.00000e+00 0.00000e+00 6.91221e+02 344.270 2.60607e+02 344.270 0.9840 
1 1 1 4  12 11 o 7  2.35780e+02 1.35130e+01 2.11539e+02 44.975  4.26177e+00  4.25803e+00  0.00000e+00 0.00000e+00 1.03365e+02 44.975  1.08174e+02 224.975 0.9127 
1 1 1 4  12 12 o 9  8.34224e+01 1.53085e+01 7.00837e+01 192.091 -6.14370e-01 -1.31608e-01 0.00000e+00 0.00000e+00 3.32980e+01 12.091  1.03382e+02 12.091  0.2996 
1 1 1 4  12 13 o 15 2.98126e+02 1.19914e+01 5.24343e+01 11.006  2.45418e+00  4.77318e-01  0.00000e+00 0.00000e+00 2.85360e+02 11.006  2.32926e+02 11.006  0.7650 
1 1 1 4  12 14 o 13 2.36985e+02 1.27316e+01 2.06699e+02 176.850 -8.39966e+00 4.62308e-01  0.00000e+00 0.00000e+00 1.24975e+02 176.850 8.17240e+01 356.850 0.9385 
1 1 1 4  12 15 o 8  2.21534e+02 1.52799e+01 2.29103e+02 221.889 -6.47784e+00 -5.81006e+00 0.00000e+00 0.00000e+00 8.39274e+01 221.889 1.45176e+02 41.889  0.9407 
1 1 1 4  12 16 o 3  9.63077e+01 2.05611e+01 6.64217e+01 3.524   1.28242e+00  7.89817e-02  0.00000e+00 0.00000e+00 1.20618e+01 3.524   5.43598e+01 183.524 0.5383 
1 1 1 4  12 17 o 5  2.73063e+02 3.35176e+01 2.45845e+02 16.918  1.19631e+01  3.63879e+00  0.00000e+00 0.00000e+00 1.53980e+02 16.918  9.18657e+01 196.918 0.9591 
1 1 1 4  12 18 o 12 1.39889e+02 2.07558e+01 1.35922e+02 41.922  3.04629e+00  2.73535e+00  0.00000e+00 0.00000e+00 5.08815e+01 41.922  8.50405e+01 221.922 0.8670 
1 1 1 4  12 19 o 15 9.04440e+01 2.86498e+01 1.99953e+02 162.474 -3.71976e+00 1.17470e+00  0.00000e+00 0.00000e+00 7.90922e+01 342.474 2.79045e+02 342.474 0.8596 
1 1 1 4  12 20 o 17 8.69479e+01 2.99191e+01 3.13643e+01 269.628 -3.83900e-03 -5.90932e-01 0.00000e+00 0.00000e+00 7.30454e+00 269.628 2.40597e+01 89.628  0.2833 
1 1 1 4  12 21 o 4  1.36649e+02 2.74725e+01 3.95045e+01 130.853 -6.41414e-01 7.41710e-01  0.00000e+00 0.00000e+00 5.57543e+01 130.853 1.62498e+01 130.853 0.4395 
1 1 1 4  12 22 o 9  1.28647e+02 3.04898e+01 8.19156e+01 221.516 -1.51366e+00 -1.33994e+00 0.00000e+00 0.00000e+00 6.27524e+01 221.516 1.91632e+01 41.516  0.7013 
1 1 1 4  12 23 o 15 1.94766e+02 2.61747e+01 1.41543e+02 111.105 -2.03416e+00 5.27034e+00  0.00000e+00 0.00000e+00 1.44816e+02 111.105 3.27285e+00 111.105 0.9065 
1 1 1 4  12 24 o 16 1.26770e+02 3.63438e+01 6.74596e+01 320.566 1.69999e+00  -1.39805e+00 0.00000e+00 0.00000e+00 8.40390e+01 320.566 1.65794e+01 320.566 0.7282 
1 1 1 4  12 25 o 12 2.03664e+02 2.65934e+01 1.40856e+02 218.098 -6.90758e+00 -5.41595e+00 0.00000e+00 0.00000e+00 1.77647e+02 218.098 3.67907e+01 218.098 0.9412 
1 1 1 4  12 26 o 1  8.29004e+01 3.46611e+01 4.49235e+01 170.664 -1.31664e+00 2.16453e-01  0.00000e+00 0.00000e+00 3.21566e+01 170.664 1.27668e+01 350.664 0.5524 
1 1 1 4  12 27 o 3  1.06843e+02 3.42890e+01 8.39247e+01 347.550 3.21664e+00  -7.10178e-01 0.00000e+00 0.00000e+00 6.72635e+01 347.550 1.66612e+01 167.550 0.8296 
1 1 1 4  12 28 o 1  5.54560e+01 2.56022e+01 5.08147e+00 256.556 -3.34545e-02 -1.39953e-01 0.00000e+00 0.00000e+00 1.80158e+00 256.556 3.27989e+00 76.556  0.0718 
1 1 1 4  12 29 o 11 1.82607e+02 3.88369e+01 1.21454e+02 278.319 1.20650e+00  -8.25155e+00 0.00000e+00 0.00000e+00 1.79076e+02 278.319 5.76215e+01 278.319 0.9380 
1 1 1 4  12 30 o 7  9.23232e+01 3.81559e+01 6.83955e+01 331.777 2.53049e+00  -1.35814e+00 0.00000e+00 0.00000e+00 6.31482e+01 331.777 5.24727e+00 151.777 0.8001 
1 1 1 4  12 31 o 4  5.62496e+01 2.63086e+01 4.24318e+01 145.326 -1.51001e+00 1.04456e+00  0.00000e+00 0.00000e+00 2.56177e+01 145.326 1.68141e+01 325.326 0.6689 
1 1 1 4  12 32 o 17 6.76200e+01 3.00782e+01 4.09134e+01 193.316 -2.04719e+00 -4.84552e-01 0.00000e+00 0.00000e+00 4.78135e+01 193.316 6.90011e+00 193.316 0.7141 
1 1 1 4  12 33 o 17 5.22673e+01 2.55477e+01 3.34191e+01 54.513  1.00261e+00  1.40628e+00  0.00000e+00 0.00000e+00 2.97915e+01 54.513  3.62759e+00 234.513 0.6475 
1 1 1 4  12 34 o 8  6.69743e+01 3.12622e+01 1.02508e+01 175.526 -5.53045e-01 4.32691e-02  0.00000e+00 0.00000e+00 2.37470e+01 175.526 1.34962e+01 175.526 0.2672 
1 1 1 4  12 35 o 18 5.41550e+01 2.66933e+01 2.15991e+01 32.481  1.06339e+00  6.76970e-01  0.00000e+00 0.00000e+00 3.40027e+01 32.481  1.24036e+01 32.481  0.5311 
1 1 1 4  12 36 o 15 6.22272e+01 3.02323e+01 2.14416e+01 110.879 -4.51764e-01 1.18438e+00  0.00000e+00 0.00000e+00 4.38567e+01 110.879 2.24152e+01 110.879 0.5332 
1 1 1 4  12 37 o 7  5.20587e+01 2.61348e+01 1.97144e+01 218.001 -1.01173e+00 -7.90465e-01 0.00000e+00 0.00000e+00 3.64272e+01 218.001 1.67128e+01 218.001 0.5380 
1 1 1 4  13 0  o 10 7.93996e+01 1.78987e+01 5.66387e+01 0.000   1.72109e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.71749e+01 180.000 9.38136e+01 180.000 0.1704 
1 1 1 4  13 1  o 7  9.66879e+02 2.10620e+01 6.16442e+02 127.113 -2.70126e+01 3.57000e+01  0.00000e+00 0.00000e+00 7.58990e+02 127.113 1.42548e+02 127.113 0.9888 
1 1 1 4  13 2  o 5  4.93109e+02 1.51836e+01 3.64077e+02 94.158  -9.78962e-01 1.34675e+01  0.00000e+00 0.00000e+00 3.19083e+02 94.158  4.49944e+01 274.158 0.9622 
1 1 1 4  13 3  o 11 7.14091e+02 2.36989e+01 6.35092e+02 257.974 -6.86784e+00 -3.22387e+01 0.00000e+00 0.00000e+00 3.78614e+02 257.974 2.56478e+02 77.974  0.9847 
1 1 1 4  13 4  o 7  3.30741e+02 1.28914e+01 1.81440e+02 183.244 -4.34591e+00 -2.46361e-01 0.00000e+00 0.00000e+00 2.36900e+02 183.244 5.54603e+01 183.244 0.8758 
1 1 1 4  13 5  o 14 3.09547e+02 1.26696e+01 1.03978e+02 354.171 3.12284e+00  -3.18829e-01 0.00000e+00 0.00000e+00 2.63318e+02 354.171 1.59340e+02 354.171 0.8198 
1 1 1 4  13 6  o 16 5.36697e+02 1.96235e+01 3.10196e+02 344.138 1.48783e+01  -4.22750e+00 0.00000e+00 0.00000e+00 4.43181e+02 344.138 1.32985e+02 344.138 0.9671 
1 1 1 4  13 7  o 8  3.79694e+02 1.38989e+01 3.02447e+02 256.232 -2.66513e+00 -1.08766e+01 0.00000e+00 0.00000e+00 2.25178e+02 256.232 7.72694e+01 76.232  0.9542 
1 1 1 4  13 8  o 7  2.76665e+02 2.28424e+01 2.07752e+02 102.162 -1.14710e+00 5.32276e+00  0.00000e+00 0.00000e+00 1.57342e+02 102.162 5.04108e+01 282.162 0.9028 
1 1 1 4  13 9  o 7  1.20679e+02 1.17195e+01 3.22031e+01 335.554 4.43647e-01  -2.01679e-01 0.00000e+00 0.00000e+00 9.73237e+00 335.554 2.24707e+01 155.554 0.2367 
1 1 1 4  13 10 o 9  4.25066e+02 1.26865e+01 2.89340e+02 101.599 -2.78437e+00 1.35650e+01  0.00000e+00 0.00000e+00 3.14586e+02 101.599 2.52460e+01 101.599 0.9632 
1 1 1 4  13 11 o 17 4.27512e+02 1.51341e+01 2.07959e+02 195.397 -1.17703e+01 -3.24138e+00 0.00000e+00 0.00000e+00 3.99456e+02 195.397 1.91497e+02 195.397 0.9581 
1 1 1 4  13 12 o 15 7.54698e+02 2.10676e+01 4.45771e+02 270.660 5.96832e-01  -5.18480e+01 0.00000e+00 0.00000e+00 6.68982e+02 270.660 2.23211e+02 270.660 0.9903 
1 1 1 4  13 13 o 13 9.83979e+01 1.64331e+01 1.23270e+02 36.783  1.64937e+00  1.23310e+00  0.00000e+00 0.00000e+00 1.88093e+01 216.783 1.42079e+02 216.783 0.7073 
1 1 1 4  13 14 o 3  3.55895e+02 1.51994e+01 2.52592e+02 110.960 -5.54839e+00 1.44846e+01  0.00000e+00 0.00000e+00 2.67609e+02 110.960 1.50161e+01 110.960 0.9672 
1 1 1 4  13 15 o 19 1.28845e+02 1.88563e+01 1.46894e+02 192.718 -3.77987e+00 -8.53065e-01 0.00000e+00 0.00000e+00 2.15017e+01 192.718 1.25392e+02 12.718  0.8585 
1 1 1 4  13 16 o 11 2.52050e+02 3.67632e+01 1.89128e+02 296.268 3.84145e+00  -7.78358e+00 0.00000e+00 0.00000e+00 1.74573e+02 296.268 1.45549e+01 116.268 0.9405 
1 1 1 4  13 17 o 17 2.00544e+02 1.61420e+01 5.64649e+01 81.036  3.71758e-01  2.35664e+00  0.00000e+00 0.00000e+00 1.76843e+02 81.036  1.20378e+02 81.036  0.7520 
1 1 1 4  13 18 o 10 1.63857e+02 1.93844e+01 1.00716e+02 287.252 1.21878e+00  -3.92470e+00 0.00000e+00 0.00000e+00 1.21173e+02 287.252 2.04566e+01 287.252 0.8676 
1 1 1 4  13 19 o 8  3.63578e+02 1.82520e+01 1.35349e+02 311.096 7.32655e+00  -8.39977e+00 0.00000e+00 0.00000e+00 4.11112e+02 311.096 2.75763e+02 311.096 0.9540 
1 1 1 4  13 20 o 8  6.89611e+01 2.80353e+01 1.88645e+02 102.897 -4.87125e-01 2.12735e+00  0.00000e+00 0.00000e+00 1.09038e+02 282.897 2.97684e+02 282.897 0.7256 
1 1 1 4  13 21 f 0  1.58648e+02 2.57444e+01 9.54919e+01 238.381 -1.74108e+00 -2.82797e+00 0.00000e+00 0.00000e+00 1.16484e+02 238.381 2.09922e+01 238.381 0.8312 
1 1 1 4  13 22 o 19 2.79957e+02 2.28785e+01 2.16908e+02 320.290 9.86168e+00  -8.19020e+00 0.00000e+00 0.00000e+00 2.19918e+02 320.290 3.01023e+00 320.290 0.9602 
1 1 1 4  13 23 o 6  9.64350e+01 3.38734e+01 1.03529e+02 124.777 -1.41840e+00 2.04258e+00  0.00000e+00 0.00000e+00 1.74948e+01 124.777 8.60340e+01 304.777 0.7635 
1 1 1 4  13 24 o 19 1.94097e+02 2.74372e+01 1.38383e+02 118.380 -4.17533e+00 7.72854e+00  0.00000e+00 0.00000e+00 1.65468e+02 118.380 2.70857e+01 118.380 0.9412 
1 1 1 4  13 25 o 13 1.96916e+02 2.60500e+01 1.46978e+02 314.088 7.12354e+00  -7.35389e+00 0.00000e+00 0.00000e+00 1.67971e+02 314.088 2.09923e+01 314.088 0.9498 
1 1 1 4  13 26 o 3  1.39287e+02 3.85501e+01 1.17633e+02 209.599 -4.87731e+00 -2.77054e+00 0.00000e+00 0.00000e+00 9.75719e+01 209.599 2.00613e+01 29.599  0.9058 
1 1 1 4  13 27 o 16 8.46151e+01 3.40766e+01 9.42998e+01 170.155 -3.27608e+00 5.68516e-01  0.00000e+00 0.00000e+00 2.73099e+01 170.155 6.69899e+01 350.155 0.8314 
1 1 1 4  13 28 o 11 1.39336e+02 4.26528e+01 8.18410e+01 175.904 -4.12647e+00 2.95532e-01  0.00000e+00 0.00000e+00 1.30291e+02 175.904 4.84497e+01 175.904 0.8686 
1 1 1 4  13 29 o 3  1.54617e+02 2.97592e+01 1.12454e+02 272.216 3.80096e-01  -9.82242e+00 0.00000e+00 0.00000e+00 1.48094e+02 272.216 3.56398e+01 272.216 0.9477 
1 1 1 4  13 30 o 18 8.36640e+01 3.23224e+01 4.48014e+01 278.767 3.33023e-01  -2.15947e+00 0.00000e+00 0.00000e+00 6.48122e+01 278.767 2.00108e+01 278.767 0.7259 
1 1 1 4  13 31 o 9  8.43020e+01 3.36352e+01 4.60953e+01 89.111  3.75869e-02  2.42365e+00  0.00000e+00 0.00000e+00 7.07838e+01 89.111  2.46885e+01 89.111  0.7565 
1 1 1 4  13 32 o 2  6.69828e+01 3.01967e+01 2.74508e+01 5.708   1.40599e+00  1.40542e-01  0.00000e+00 0.00000e+00 4.41296e+01 5.708   1.66788e+01 5.708   0.5739 
1 1 1 4  13 33 o 4  7.73676e+01 3.33661e+01 9.82365e+00 340.188 4.96169e-01  -1.78745e-01 0.00000e+00 0.00000e+00 2.75107e+01 340.188 1.76870e+01 340.188 0.2549 
1 1 1 4  13 34 o 1  6.19499e+01 2.93999e+01 1.26418e+01 22.541  6.59945e-01  2.73910e-01  0.00000e+00 0.00000e+00 2.74604e+01 22.541  1.48186e+01 22.541  0.3362 
1 1 1 4  13 35 o 5  5.53877e+01 2.72893e+01 2.19576e+01 74.979  3.41179e-01  1.27139e+00  0.00000e+00 0.00000e+00 3.74314e+01 74.979  1.54738e+01 74.979  0.5474 
1 1 1 4  13 36 o 2  4.98739e+01 2.50976e+01 1.91610e+01 231.162 -7.74642e-01 -9.62141e-01 0.00000e+00 0.00000e+00 3.29150e+01 231.162 1.37540e+01 231.162 0.5236 
1 1 1 4  14 0  o 6  3.91039e+02 1.66745e+01 5.55381e+02 0.000   1.04773e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.52238e+01 0.000   5.40157e+02 180.000 1.0000 
1 1 1 4  14 1  o 18 2.22016e+02 1.00052e+01 2.35255e+02 114.157 -2.06179e+00 4.59695e+00  0.00000e+00 0.00000e+00 5.45283e+01 114.157 1.80727e+02 294.157 0.8943 
1 1 1 4  14 2  o 5  3.57057e+02 1.30861e+01 1.84067e+02 55.417  3.54847e+00  5.14702e+00  0.00000e+00 0.00000e+00 2.93719e+02 55.417  1.09653e+02 55.417  0.9161 
1 1 1 4  14 3  o 7  8.38991e+01 1.30873e+01 1.43739e+02 10.241  1.19655e+00  2.16173e-01  0.00000e+00 0.00000e+00 8.02165e+01 190.241 2.23955e+02 190.241 0.5177 
1 1 1 4  14 4  o 6  5.36388e+02 1.61226e+01 4.19029e+02 156.696 -2.02692e+01 8.73077e+00  0.00000e+00 0.00000e+00 3.48818e+02 156.696 7.02107e+01 336.696 0.9771 
1 1 1 4  14 5  o 18 7.28253e+01 1.70971e+01 1.18128e+02 169.195 -8.07447e-01 1.54109e-01  0.00000e+00 0.00000e+00 7.75124e+01 349.194 1.95640e+02 349.194 0.3798 
1 1 1 4  14 6  o 13 2.23318e+02 1.45878e+01 1.01469e+02 284.589 5.51511e-01  -2.11887e+00 0.00000e+00 0.00000e+00 1.37452e+02 284.589 3.59832e+01 284.589 0.7266 
1 1 1 4  14 7  o 16 2.75711e+02 1.30321e+01 1.65227e+02 188.671 -5.67907e+00 -8.66032e-01 0.00000e+00 0.00000e+00 2.04700e+02 188.671 3.94731e+01 188.671 0.9082 
1 1 1 4  14 8  o 9  3.70971e+02 1.40211e+01 1.99415e+02 145.615 -7.40348e+00 5.06643e+00  0.00000e+00 0.00000e+00 3.19081e+02 145.615 1.19666e+02 145.615 0.9425 
1 1 1 4  14 9  o 18 6.31909e+02 1.56923e+01 4.82636e+02 332.990 2.97338e+01  -1.51570e+01 0.00000e+00 0.00000e+00 4.44266e+02 332.990 3.83697e+01 152.990 0.9849 
1 1 1 4  14 10 o 17 1.48441e+02 1.19234e+01 7.61072e+01 107.701 -4.68657e-01 1.46838e+00  0.00000e+00 0.00000e+00 5.85501e+01 107.701 1.75571e+01 287.701 0.6062 
1 1 1 4  14 11 o 14 5.88209e+02 1.52605e+01 3.76280e+02 75.863  8.45436e+00  3.35655e+01  0.00000e+00 0.00000e+00 4.95751e+02 75.863  1.19471e+02 75.863  0.9854 
1 1 1 4  14 12 o 13 1.39798e+02 1.83147e+01 1.52387e+02 60.092  1.77921e+00  3.09315e+00  0.00000e+00 0.00000e+00 2.62765e+01 60.092  1.26110e+02 240.092 0.8446 
1 1 1 4  14 13 o 3  2.81346e+02 1.44760e+01 2.66909e+02 165.070 -1.25428e+01 3.34438e+00  0.00000e+00 0.00000e+00 1.44659e+02 165.070 1.22251e+02 345.070 0.9607 
1 1 1 4  14 14 o 17 1.64841e+02 1.40058e+01 1.46948e+02 292.399 1.94320e+00  -4.71489e+00 0.00000e+00 0.00000e+00 7.94014e+01 292.399 6.75470e+01 112.399 0.8956 
1 1 1 4  14 15 o 12 9.41622e+01 2.09994e+01 1.86148e+01 254.567 -9.78440e-02 -3.54417e-01 0.00000e+00 0.00000e+00 7.67756e+00 254.567 1.09373e+01 74.567  0.1808 
1 1 1 4  14 16 o 12 2.23886e+02 4.02121e+01 8.25046e+01 77.948  6.69440e-01  3.13547e+00  0.00000e+00 0.00000e+00 2.04693e+02 77.948  1.22188e+02 77.948  0.8241 
1 1 1 4  14 17 o 15 1.42975e+02 1.93896e+01 8.71783e+01 221.880 -2.33509e+00 -2.09372e+00 0.00000e+00 0.00000e+00 9.67363e+01 221.880 9.55796e+00 221.880 0.8196 
1 1 1 4  14 18 o 2  2.61162e+02 1.69200e+01 1.45707e+01 200.926 -8.22314e-01 -3.14442e-01 0.00000e+00 0.00000e+00 1.51837e+02 200.926 1.37266e+02 200.926 0.4024 
1 1 1 4  14 19 o 10 1.38145e+02 2.97330e+01 1.06982e+02 15.012  2.39515e+00  6.42320e-01  0.00000e+00 0.00000e+00 6.14342e+01 15.012  4.55477e+01 195.012 0.7628 
1 1 1 4  14 20 o 11 2.27800e+02 3.95952e+01 2.22127e+02 157.556 -8.94806e+00 3.69620e+00  0.00000e+00 0.00000e+00 1.26018e+02 157.556 9.61085e+01 337.556 0.9469 
1 1 1 4  14 21 o 6  2.44494e+02 2.00370e+01 1.88466e+02 162.281 -9.62225e+00 3.07434e+00  0.00000e+00 0.00000e+00 1.89984e+02 162.281 1.51827e+00 162.281 0.9491 
1 1 1 4  14 22 o 4  2.24014e+02 5.60091e+01 2.06740e+02 310.091 4.86013e+00  -5.77344e+00 0.00000e+00 0.00000e+00 1.37156e+02 310.091 6.95834e+01 130.091 0.9312 
1 1 1 4  14 23 o 19 2.08456e+02 3.76773e+01 8.94614e+01 278.385 6.83239e-01  -4.63515e+00 0.00000e+00 0.00000e+00 2.18339e+02 278.385 1.28877e+02 278.385 0.8855 
1 1 1 4  14 24 o 6  9.17518e+01 3.83462e+01 1.02118e+02 90.055  -2.50968e-03 2.63685e+00  0.00000e+00 0.00000e+00 1.84982e+01 90.055  8.36194e+01 270.055 0.7791 
1 1 1 4  14 25 o 14 2.20464e+02 3.15728e+01 1.85531e+02 65.505  6.47191e+00  1.42044e+01  0.00000e+00 0.00000e+00 1.78817e+02 65.505  6.71421e+00 245.505 0.9674 
1 1 1 4  14 26 o 16 1.59838e+02 3.53804e+01 1.34042e+02 218.817 -5.88374e+00 -4.73350e+00 0.00000e+00 0.00000e+00 1.23520e+02 218.817 1.05219e+01 38.817  0.9312 
1 1 1 4  14 27 o 9  7.99521e+01 3.04288e+01 6.78366e+01 162.337 -2.35981e+00 7.51432e-01  0.00000e+00 0.00000e+00 3.90639e+01 162.337 2.87726e+01 342.337 0.7624 
1 1 1 4  14 28 o 10 5.81943e+01 2.77121e+01 4.22409e+01 135.613 -8.76413e-01 8.57856e-01  0.00000e+00 0.00000e+00 1.16597e+01 135.613 3.05812e+01 315.613 0.5209 
1 1 1 4  14 29 o 12 8.22423e+01 3.13968e+01 1.60673e+01 308.933 4.66371e-01  -5.77302e-01 0.00000e+00 0.00000e+00 3.55125e+01 308.933 1.94452e+01 308.933 0.3477 
1 1 1 4  14 30 o 8  6.58657e+01 2.90679e+01 7.18332e+00 87.618  1.36651e-02  3.28556e-01  0.00000e+00 0.00000e+00 1.23822e+01 87.618  5.19884e+00 87.618  0.1622 
1 1 1 4  14 31 f 0  6.53037e+01 2.94143e+01 3.24622e+01 247.025 -6.45658e-01 -1.52295e+00 0.00000e+00 0.00000e+00 4.42768e+01 247.025 1.18147e+01 247.025 0.6320 
1 1 1 4  14 32 o 6  6.22882e+01 2.88931e+01 1.27295e+01 31.608  5.70069e-01  3.50824e-01  0.00000e+00 0.00000e+00 2.46003e+01 31.608  1.18709e+01 31.608  0.3172 
1 1 1 4  14 33 o 13 6.65162e+01 3.05927e+01 1.15243e+01 118.748 -3.06384e-01 5.58514e-01  0.00000e+00 0.00000e+00 2.72278e+01 118.748 1.57035e+01 118.748 0.3034 
1 1 1 4  14 34 o 4  6.56473e+01 3.07845e+01 2.01485e+01 305.255 6.39433e-01  -9.04616e-01 0.00000e+00 0.00000e+00 4.18151e+01 305.255 2.16667e+01 305.255 0.4833 
1 1 1 4  14 35 f 0  5.72817e+01 2.79399e+01 1.25888e+01 272.197 2.98358e-02  -7.77703e-01 0.00000e+00 0.00000e+00 2.86629e+01 272.197 1.60741e+01 272.197 0.3624 
1 1 1 4  14 36 o 2  5.69617e+01 2.81096e+01 4.40273e+00 157.002 -2.47521e-01 1.05055e-01  0.00000e+00 0.00000e+00 1.09536e+01 157.002 6.55085e+00 157.002 0.1332 
1 1 1 4  15 0  o 4  3.85746e+02 1.66497e+01 1.47945e+02 180.000 -2.81017e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.19580e+02 180.000 2.71635e+02 180.000 0.9928 
1 1 1 4  15 1  o 13 3.94692e+02 1.18576e+01 1.89507e+02 344.441 7.07641e+00  -1.97035e+00 0.00000e+00 0.00000e+00 3.54127e+02 344.441 1.64620e+02 344.441 0.9292 
1 1 1 4  15 2  o 6  2.12763e+02 1.17586e+01 1.02187e+02 351.950 2.09783e+00  -2.96694e-01 0.00000e+00 0.00000e+00 1.23902e+02 351.950 2.17145e+01 351.950 0.7163 
1 1 1 4  15 3  o 3  6.99424e+01 1.25078e+01 1.31376e+02 120.376 -4.46362e-01 7.61533e-01  0.00000e+00 0.00000e+00 8.94794e+01 300.376 2.20855e+02 300.376 0.4033 
1 1 1 4  15 4  o 17 2.63801e+02 1.24629e+01 2.11582e+02 332.710 6.30016e+00  -3.25035e+00 0.00000e+00 0.00000e+00 1.52091e+02 332.710 5.94904e+01 152.710 0.9265 
1 1 1 4  15 5  o 9  1.22111e+02 1.43093e+01 9.22041e+01 256.868 -3.16300e-01 -1.35582e+00 0.00000e+00 0.00000e+00 1.12938e+01 256.868 8.09103e+01 76.868  0.5683 
1 1 1 4  15 6  o 19 3.25660e+02 1.28142e+01 3.32606e+02 111.260 -4.47452e+00 1.15000e+01  0.00000e+00 0.00000e+00 1.34232e+02 111.260 1.98374e+02 291.260 0.9586 
1 1 1 4  15 7  o 13 1.40205e+02 2.01767e+01 1.98895e+02 30.146  2.61369e+00  1.51793e+00  0.00000e+00 0.00000e+00 2.81607e+01 210.146 2.27056e+02 210.146 0.8116 
1 1 1 4  15 8  o 9  1.26878e+02 1.42577e+01 7.64495e+01 168.238 -1.30339e+00 2.71389e-01  0.00000e+00 0.00000e+00 2.89511e+01 168.238 4.74984e+01 348.238 0.5516 
1 1 1 4  15 9  o 17 1.41796e+02 1.22148e+01 8.48117e+01 150.500 -1.68659e+00 9.54236e-01  0.00000e+00 0.00000e+00 6.25913e+01 150.500 2.22204e+01 330.500 0.6873 
1 1 1 4  15 10 o 1  3.68375e+02 1.24390e+01 2.47976e+02 245.297 -6.72166e+00 -1.46116e+01 0.00000e+00 0.00000e+00 2.94180e+02 245.297 4.62045e+01 245.297 0.9684 
1 1 1 4  15 11 o 11 6.21747e+02 1.59030e+01 3.17128e+02 287.176 8.10421e+00  -2.62191e+01 0.00000e+00 0.00000e+00 6.15339e+02 287.176 2.98210e+02 287.176 0.9816 
1 1 1 4  15 12 o 8  3.05936e+02 1.88099e+01 2.84917e+02 16.272  1.40853e+01  4.11125e+00  0.00000e+00 0.00000e+00 1.68912e+02 16.272  1.16005e+02 196.272 0.9653 
1 1 1 4  15 13 o 19 6.64996e+01 2.48110e+01 1.12421e+02 250.680 -4.85772e-01 -1.38563e+00 0.00000e+00 0.00000e+00 5.19307e+01 70.680  1.64351e+02 70.680  0.5882 
1 1 1 4  15 14 o 12 1.35865e+02 1.86064e+01 1.91217e+02 128.031 -3.40911e+00 4.35867e+00  0.00000e+00 0.00000e+00 1.13925e-01 128.031 1.91103e+02 308.031 0.9044 
1 1 1 4  15 15 o 3  1.89915e+02 1.54460e+01 9.15069e+00 296.919 1.68341e-01  -3.31539e-01 0.00000e+00 0.00000e+00 4.52927e+01 296.919 3.61420e+01 296.919 0.1828 
1 1 1 4  15 16 o 14 9.45333e+01 2.60521e+01 5.48792e+01 14.922  1.19589e+00  3.18695e-01  0.00000e+00 0.00000e+00 2.34666e+01 14.922  3.14126e+01 194.922 0.5243 
1 1 1 4  15 17 o 16 2.79464e+02 1.70629e+01 2.27841e+02 330.633 1.29322e+01  -7.27698e+00 0.00000e+00 0.00000e+00 2.02335e+02 330.633 2.55069e+01 150.633 0.9657 
1 1 1 4  15 18 o 3  1.20998e+02 4.97015e+01 1.26147e+02 283.568 6.06791e-01  -2.51435e+00 0.00000e+00 0.00000e+00 2.44741e+01 283.568 1.01673e+02 103.568 0.7741 
1 1 1 4  15 19 o 3  3.19115e+02 1.74259e+01 1.42113e+02 112.257 -3.34972e+00 8.18507e+00  0.00000e+00 0.00000e+00 3.45639e+02 112.257 2.03526e+02 112.257 0.9416 
1 1 1 4  15 20 f 0  1.42626e+02 2.59934e+01 8.00481e+01 65.635  9.46594e-01  2.09016e+00  0.00000e+00 0.00000e+00 9.31179e+01 65.635  1.30697e+01 65.635  0.7407 
1 1 1 4  15 21 o 14 8.67127e+01 3.76093e+01 2.40161e+01 176.856 -3.82764e-01 2.10223e-02  0.00000e+00 0.00000e+00 3.01772e+00 176.856 2.09984e+01 356.856 0.1882 
1 1 1 4  15 22 o 6  1.92064e+02 3.08260e+01 1.17396e+02 95.249  -5.81795e-01 6.33272e+00  0.00000e+00 0.00000e+00 1.77683e+02 95.249  6.02868e+01 95.249  0.9176 
1 1 1 4  15 23 o 7  1.88900e+02 2.76287e+01 1.98626e+02 253.934 -3.17605e+00 -1.10284e+01 0.00000e+00 0.00000e+00 1.06990e+02 253.934 9.16356e+01 73.934  0.9554 
1 1 1 4  15 24 o 6  7.71374e+01 3.09376e+01 8.32168e+01 269.362 -2.32648e-02 -2.09024e+00 0.00000e+00 0.00000e+00 1.09072e+01 269.362 7.23096e+01 89.362  0.7121 
1 1 1 4  15 25 o 16 1.88495e+02 2.50430e+01 1.38622e+02 105.653 -3.17857e+00 1.13442e+01  0.00000e+00 0.00000e+00 1.74198e+02 105.653 3.55761e+01 105.653 0.9566 
1 1 1 4  15 26 o 11 5.72118e+01 2.56890e+01 1.50327e+01 222.311 -3.23335e-01 -2.94328e-01 0.00000e+00 0.00000e+00 6.43855e+00 222.311 8.59420e+00 42.311  0.2136 
1 1 1 4  15 27 o 9  6.44545e+01 2.91686e+01 5.50737e+01 290.057 6.37302e-01  -1.74553e+00 0.00000e+00 0.00000e+00 2.21905e+01 290.057 3.28831e+01 110.057 0.6731 
1 1 1 4  15 28 o 4  7.24530e+01 3.21147e+01 4.80529e+01 317.859 1.35638e+00  -1.22733e+00 0.00000e+00 0.00000e+00 3.93028e+01 317.859 8.75015e+00 137.859 0.6676 
1 1 1 4  15 29 f 0  6.15209e+01 2.76092e+01 2.71945e+01 108.382 -3.60739e-01 1.08557e+00  0.00000e+00 0.00000e+00 2.86044e+01 108.382 1.40988e+00 108.382 0.4951 
1 1 1 4  15 30 f 0  8.22803e+01 3.27323e+01 2.67538e+01 83.857  1.51404e-01  1.40682e+00  0.00000e+00 0.00000e+00 6.11286e+01 83.857  3.43748e+01 83.857  0.5744 
1 1 1 4  15 31 o 11 5.03851e+01 2.45642e+01 3.47670e+01 290.098 5.92356e-01  -1.61887e+00 0.00000e+00 0.00000e+00 2.67717e+01 290.098 7.99526e+00 110.098 0.6468 
1 1 1 4  15 32 o 10 6.06465e+01 2.85778e+01 2.54812e+01 197.211 -1.26642e+00 -3.92298e-01 0.00000e+00 0.00000e+00 3.85169e+01 197.211 1.30358e+01 197.211 0.5500 
1 1 1 4  15 33 o 13 6.13419e+01 2.87907e+01 2.21585e+01 148.599 -1.08574e+00 6.62770e-01  0.00000e+00 0.00000e+00 4.17893e+01 148.599 1.96308e+01 148.599 0.5345 
1 1 1 4  15 34 f 0  6.67028e+01 3.08759e+01 1.21859e+01 136.321 -5.17004e-01 4.93690e-01  0.00000e+00 0.00000e+00 3.23197e+01 136.321 2.01338e+01 136.321 0.3364 
1 1 1 4  15 35 o 10 4.71451e+01 2.36831e+01 2.31482e+01 264.846 -1.38208e-01 -1.53225e+00 0.00000e+00 0.00000e+00 3.44674e+01 264.846 1.13191e+01 264.846 0.6055 
1 1 1 4  15 36 o 3  5.81735e+01 2.85347e+01 1.48888e+01 211.613 -7.77385e-01 -4.78490e-01 0.00000e+00 0.00000e+00 3.46766e+01 211.613 1.97878e+01 211.613 0.4147 
1 1 1 4  16 0  o 5  8.54534e+01 1.95222e+01 9.23074e+01 0.000   4.51887e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.77896e+01 180.000 1.30097e+02 180.000 0.4234 
1 1 1 4  16 1  o 11 2.20636e+02 1.20617e+01 9.16789e+01 160.891 -2.19330e+00 7.59882e-01  0.00000e+00 0.00000e+00 1.55725e+02 160.891 6.40459e+01 160.891 0.7441 
1 1 1 4  16 2  o 13 2.56103e+02 1.22324e+01 7.81959e+01 308.562 1.42204e+00  -1.78379e+00 0.00000e+00 0.00000e+00 2.07221e+02 308.562 1.29025e+02 308.562 0.7390 
1 1 1 4  16 3  o 16 1.87072e+02 1.04766e+01 2.13593e+02 173.183 -4.48299e+00 5.35877e-01  0.00000e+00 0.00000e+00 3.52142e+01 173.183 1.78379e+02 353.183 0.8808 
1 1 1 4  16 4  o 12 2.43098e+02 1.25418e+01 1.49503e+02 165.653 -3.90033e+00 9.97601e-01  0.00000e+00 0.00000e+00 1.68412e+02 165.653 1.89085e+01 165.653 0.8645 
1 1 1 4  16 5  o 6  4.15342e+02 1.74178e+01 3.11131e+02 336.863 1.63707e+01  -6.99522e+00 0.00000e+00 0.00000e+00 3.00645e+02 336.863 1.04863e+01 156.863 0.9715 
1 1 1 4  16 6  f 0  2.96236e+02 1.13988e+01 1.42859e+02 39.911  4.44946e+00  3.72176e+00  0.00000e+00 0.00000e+00 2.66612e+02 39.911  1.23753e+02 39.911  0.9091 
1 1 1 4  16 7  o 5  1.98154e+02 1.37801e+01 2.03337e+02 137.369 -4.75193e+00 4.37432e+00  0.00000e+00 0.00000e+00 7.44211e+01 137.369 1.28916e+02 317.369 0.9189 
1 1 1 4  16 8  o 5  2.90444e+02 1.90250e+01 2.56672e+02 246.549 -5.12008e+00 -1.18031e+01 0.00000e+00 0.00000e+00 1.70392e+02 246.549 8.62796e+01 66.549  0.9603 
1 1 1 4  16 9  o 18 6.59562e+02 1.92548e+01 4.75304e+02 41.568  3.27147e+01  2.90124e+01  0.00000e+00 0.00000e+00 5.27256e+02 41.568  5.19514e+01 41.568  0.9885 
1 1 1 4  16 10 o 7  4.67937e+02 1.37568e+01 2.22456e+02 119.783 -9.08489e+00 1.58740e+01  0.00000e+00 0.00000e+00 4.80506e+02 119.783 2.58050e+02 119.783 0.9723 
1 1 1 4  16 11 o 5  2.85475e+02 1.39728e+01 2.58411e+02 185.008 -1.58358e+01 -1.38764e+00 0.00000e+00 0.00000e+00 1.70840e+02 185.008 8.75708e+01 5.008   0.9680 
1 1 1 4  16 12 o 3  6.20192e+01 2.38521e+01 8.93235e+01 152.402 -9.37969e-01 4.90307e-01  0.00000e+00 0.00000e+00 4.41025e+01 332.402 1.33426e+02 332.402 0.4667 
1 1 1 4  16 13 o 11 2.55759e+02 3.62297e+01 1.59974e+02 343.110 7.14134e+00  -2.16837e+00 0.00000e+00 0.00000e+00 2.14138e+02 343.110 5.41647e+01 343.110 0.9304 
1 1 1 4  16 14 o 12 1.63257e+02 3.02755e+01 2.48131e+02 167.578 -8.02720e+00 1.76811e+00  0.00000e+00 0.00000e+00 5.97146e+00 347.578 2.54103e+02 347.578 0.9370 
1 1 1 4  16 15 o 14 6.23102e+01 2.24586e+01 1.62866e+02 308.113 1.54552e+00  -1.97012e+00 0.00000e+00 0.00000e+00 8.68133e+01 128.114 2.49679e+02 128.114 0.7654 
1 1 1 4  16 16 o 13 1.78792e+02 1.75952e+01 1.67111e+02 313.215 4.76797e+00  -5.07476e+00 0.00000e+00 0.00000e+00 9.87101e+01 313.215 6.84014e+01 133.215 0.9251 
1 1 1 4  16 17 o 2  4.21619e+02 2.13128e+01 2.10564e+02 135.689 -1.49231e+01 1.45685e+01  0.00000e+00 0.00000e+00 4.56097e+02 135.689 2.45533e+02 135.689 0.9757 
1 1 1 4  16 18 o 9  1.65408e+02 3.86747e+01 9.46542e+01 130.149 -1.66564e+00 1.97458e+00  0.00000e+00 0.00000e+00 1.14591e+02 130.149 1.99365e+01 130.149 0.7738 
1 1 1 4  16 19 o 17 1.66052e+02 2.19520e+01 1.37215e+02 215.135 -3.90473e+00 -2.74783e+00 0.00000e+00 0.00000e+00 1.06086e+02 215.135 3.11292e+01 35.135  0.8879 
1 1 1 4  16 20 o 18 1.60468e+02 4.55548e+01 1.66891e+02 238.493 -2.35704e+00 -3.84536e+00 0.00000e+00 0.00000e+00 6.86132e+01 238.493 9.82777e+01 58.493  0.8806 
1 1 1 4  16 21 o 7  1.23429e+02 4.87899e+01 1.30605e+02 354.257 3.17977e+00  -3.19781e-01 0.00000e+00 0.00000e+00 4.05437e+01 354.257 9.00616e+01 174.257 0.8235 
1 1 1 4  16 22 o 9  2.26197e+02 2.33912e+01 1.67848e+02 101.426 -2.62761e+00 1.30008e+01  0.00000e+00 0.00000e+00 2.02376e+02 101.426 3.45283e+01 101.426 0.9615 
1 1 1 4  16 23 o 5  1.10689e+02 4.52447e+01 1.63721e+02 74.157  1.24382e+00  4.38303e+00  0.00000e+00 0.00000e+00 4.35040e+00 74.157  1.59370e+02 254.157 0.8820 
1 1 1 4  16 24 o 10 8.06034e+01 3.07703e+01 2.84903e+01 211.547 -8.00734e-01 -4.91591e-01 0.00000e+00 0.00000e+00 3.11308e+01 211.547 2.64047e+00 211.547 0.4246 
1 1 1 4  16 25 o 8  1.66118e+02 2.65351e+01 1.55756e+02 194.853 -1.26016e+01 -3.34203e+00 0.00000e+00 0.00000e+00 1.25777e+02 194.853 2.99783e+01 14.853  0.9608 
1 1 1 4  16 26 o 9  5.66756e+01 2.55764e+01 1.81076e+01 331.763 5.08775e-01  -2.73226e-01 0.00000e+00 0.00000e+00 9.97637e+00 331.763 8.13118e+00 151.763 0.2773 
1 1 1 4  16 27 o 11 1.01199e+02 4.19329e+01 3.68947e+01 56.044  7.39096e-01  1.09757e+00  0.00000e+00 0.00000e+00 6.37595e+01 56.044  2.68648e+01 56.044  0.5493 
1 1 1 4  16 28 o 10 5.36231e+01 2.49835e+01 1.82964e+01 302.458 3.77073e-01  -5.92836e-01 0.00000e+00 0.00000e+00 1.43170e+01 302.458 3.97941e+00 122.458 0.3313 
1 1 1 4  16 29 o 3  6.07169e+01 2.79059e+01 7.21461e+01 264.278 -3.31269e-01 -3.30620e+00 0.00000e+00 0.00000e+00 2.18630e+01 264.278 5.02831e+01 84.278  0.8313 
1 1 1 4  16 30 o 4  5.87957e+01 2.74498e+01 2.51043e+01 127.791 -7.98897e-01 1.03026e+00  0.00000e+00 0.00000e+00 3.53333e+01 127.791 1.02290e+01 127.791 0.5437 
1 1 1 4  16 31 o 18 5.27184e+01 2.54965e+01 2.00176e+01 89.278  1.31070e-02  1.03942e+00  0.00000e+00 0.00000e+00 2.65599e+01 89.278  6.54227e+00 89.278  0.4602 
1 1 1 4  16 32 o 12 7.53487e+01 3.26189e+01 2.43720e+01 165.271 -1.32701e+00 3.48860e-01  0.00000e+00 0.00000e+00 5.83560e+01 165.271 3.39840e+01 165.271 0.5629 
1 1 1 4  16 33 o 4  4.57638e+01 2.28821e+01 2.82159e+01 48.419  1.09321e+00  1.23213e+00  0.00000e+00 0.00000e+00 2.89927e+01 48.419  7.76763e-01 48.419  0.6305 
1 1 1 4  16 34 o 5  4.92786e+01 2.46012e+01 5.19907e+00 330.351 2.93398e-01  -1.67003e-01 0.00000e+00 0.00000e+00 1.13405e+01 330.351 6.14143e+00 330.351 0.1664 
1 1 1 4  16 35 o 8  4.78087e+01 2.40406e+01 2.22695e+01 129.118 -9.27403e-01 1.14045e+00  0.00000e+00 0.00000e+00 3.54741e+01 129.118 1.32046e+01 129.118 0.5886 
1 1 1 4  17 0  f 0  2.77035e+02 1.53368e+01 1.33097e+02 0.000   3.07308e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.89886e+02 0.000   1.56789e+02 0.000   0.9957 
1 1 1 4  17 1  o 11 5.58782e+01 1.67766e+01 6.94380e+00 212.140 -5.35315e-02 -3.36327e-02 0.00000e+00 0.00000e+00 4.23605e+00 32.140  1.11799e+01 32.140  0.0316 
1 1 1 4  17 2  o 10 3.12137e+02 1.11997e+01 1.70255e+02 153.842 -7.87776e+00 3.86921e+00  0.00000e+00 0.00000e+00 2.80670e+02 153.842 1.10415e+02 153.842 0.9412 
1 1 1 4  17 3  o 16 1.96952e+02 1.23624e+01 2.04510e+02 60.396  3.24180e+00  5.70558e+00  0.00000e+00 0.00000e+00 7.40516e+01 60.396  1.30458e+02 240.396 0.9203 
1 1 1 4  17 4  f 0  2.01192e+02 1.49456e+01 3.42938e+01 129.095 -6.92986e-01 8.52882e-01  0.00000e+00 0.00000e+00 1.14493e+02 129.095 8.01994e+01 129.095 0.4803 
1 1 1 4  17 5  o 1  7.68655e+01 1.81531e+01 5.55820e+01 349.985 7.35918e-01  -1.29963e-01 0.00000e+00 0.00000e+00 1.40944e+01 169.985 6.96764e+01 169.985 0.3498 
1 1 1 4  17 6  o 2  1.50174e+02 1.12886e+01 4.77988e+01 30.023  1.09453e+00  6.32513e-01  0.00000e+00 0.00000e+00 7.58706e+01 30.023  2.80718e+01 30.023  0.5322 
1 1 1 4  17 7  o 5  2.05916e+02 1.16438e+01 1.67086e+02 233.072 -2.94844e+00 -3.92289e+00 0.00000e+00 0.00000e+00 1.17804e+02 233.072 4.92820e+01 53.072  0.8912 
1 1 1 4  17 8  o 14 1.24034e+02 1.59797e+01 1.16319e+02 35.694  2.04863e+00  1.47176e+00  0.00000e+00 0.00000e+00 3.20121e+01 35.694  8.43071e+01 215.694 0.7674 
1 1 1 4  17 9  o 1  5.92053e+01 2.05722e+01 1.27337e+02 259.076 -2.99537e-01 -1.55201e+00 0.00000e+00 0.00000e+00 7.03113e+01 79.076  1.97648e+02 79.076  0.6154 
1 1 1 4  17 10 o 13 3.18618e+02 1.77814e+01 2.14671e+02 345.340 1.33543e+01  -3.49341e+00 0.00000e+00 0.00000e+00 2.67862e+02 345.340 5.31910e+01 345.340 0.9631 
1 1 1 4  17 11 o 15 1.86255e+02 1.47904e+01 1.85657e+02 12.356  7.47025e+00  1.63642e+00  0.00000e+00 0.00000e+00 8.88044e+01 12.356  9.68522e+01 192.356 0.9321 
1 1 1 4  17 12 o 5  2.89482e+02 2.53689e+01 2.81828e+02 152.035 -1.47556e+01 7.83402e+00  0.00000e+00 0.00000e+00 1.64475e+02 152.035 1.17353e+02 332.035 0.9696 
1 1 1 4  17 13 o 17 2.73874e+02 2.74744e+01 2.55553e+02 76.762  3.31317e+00  1.40838e+01  0.00000e+00 0.00000e+00 1.67256e+02 76.762  8.82973e+01 256.762 0.9648 
1 1 1 4  17 14 o 15 1.98218e+02 1.65561e+01 1.97069e+02 311.131 6.28097e+00  -7.19225e+00 0.00000e+00 0.00000e+00 1.05059e+02 311.131 9.20104e+01 131.131 0.9461 
1 1 1 4  17 15 o 16 9.95304e+01 2.48805e+01 9.09719e+01 227.007 -1.35796e+00 -1.45657e+00 0.00000e+00 0.00000e+00 2.15086e+01 227.007 6.94633e+01 47.007  0.6964 
1 1 1 4  17 16 o 2  8.16098e+01 2.55376e+01 2.52333e+01 155.797 -3.30561e-01 1.48580e-01  0.00000e+00 0.00000e+00 1.43349e+00 335.797 2.66668e+01 335.797 0.1783 
1 1 1 4  17 17 o 7  2.48323e+02 1.82805e+01 1.80397e+02 297.333 4.04052e+00  -7.81733e+00 0.00000e+00 0.00000e+00 2.05138e+02 297.333 2.47413e+01 297.333 0.9413 
1 1 1 4  17 18 o 14 2.32073e+02 2.12613e+01 1.92528e+02 90.044  -7.30874e-03 9.46616e+00  0.00000e+00 0.00000e+00 1.72619e+02 90.044  1.99096e+01 270.044 0.9456 
1 1 1 4  17 19 o 6  9.61733e+01 2.81193e+01 8.43062e+01 104.206 -4.11526e-01 1.62563e+00  0.00000e+00 0.00000e+00 1.85727e+01 104.206 6.57335e+01 284.206 0.6369 
1 1 1 4  17 20 o 6  1.96288e+02 2.22709e+01 1.24692e+02 256.882 -1.62016e+00 -6.95228e+00 0.00000e+00 0.00000e+00 1.83948e+02 256.882 5.92565e+01 256.882 0.9270 
1 1 1 4  17 21 o 10 8.65342e+01 3.11037e+01 1.09372e+01 121.600 -1.55115e-01 2.52141e-01  0.00000e+00 0.00000e+00 1.07763e+01 121.600 1.60865e-01 301.599 0.1464 
1 1 1 4  17 22 o 19 1.82556e+02 3.68710e+01 1.50786e+02 325.367 6.53671e+00  -4.51495e+00 0.00000e+00 0.00000e+00 1.44847e+02 325.367 5.93912e+00 145.367 0.9348 
1 1 1 4  17 23 o 6  5.78855e+01 2.60478e+01 2.67704e+01 183.417 -7.06053e-01 -4.21526e-02 0.00000e+00 0.00000e+00 7.02886e+00 183.417 1.97415e+01 3.417   0.3332 
1 1 1 4  17 24 o 12 1.35909e+02 3.00913e+01 1.31112e+02 91.734  -2.13443e-01 7.05182e+00  0.00000e+00 0.00000e+00 9.20687e+01 91.734  3.90428e+01 271.734 0.9261 
1 1 1 4  17 25 o 3  1.00214e+02 3.15093e+01 4.73085e+01 247.078 -8.94061e-01 -2.11428e+00 0.00000e+00 0.00000e+00 8.59607e+01 247.078 3.86522e+01 247.078 0.7408 
1 1 1 4  17 26 o 19 6.75789e+01 2.80065e+01 1.62748e+01 357.217 5.47992e-01  -2.66336e-02 0.00000e+00 0.00000e+00 1.62268e+01 357.217 4.80631e-02 177.217 0.2645 
1 1 1 4  17 27 o 16 7.15273e+01 3.42320e+01 4.57004e+01 16.789  1.60558e+00  4.84430e-01  0.00000e+00 0.00000e+00 3.82589e+01 16.789  7.44153e+00 196.789 0.6370 
1 1 1 4  17 28 o 8  4.32815e+01 2.12995e+01 3.02149e+01 175.925 -1.21727e+00 8.67188e-02  0.00000e+00 0.00000e+00 1.17624e+01 175.925 1.84525e+01 355.925 0.5190 
1 1 1 4  17 29 o 19 4.22581e+01 2.09867e+01 7.00076e+01 259.565 -6.07893e-01 -3.30066e+00 0.00000e+00 0.00000e+00 3.26162e+00 79.565  7.32692e+01 79.565  0.8332 
1 1 1 4  17 30 o 3  5.64153e+01 2.65253e+01 1.87305e+01 224.944 -6.87864e-01 -6.86529e-01 0.00000e+00 0.00000e+00 2.86305e+01 224.944 9.90001e+00 224.944 0.4363 
1 1 1 4  17 31 o 15 7.00208e+01 3.14145e+01 5.71232e+01 133.990 -2.10967e+00 2.18536e+00  0.00000e+00 0.00000e+00 5.40665e+01 133.990 3.05669e+00 313.990 0.8127 
1 1 1 4  17 32 o 6  4.49485e+01 2.24713e+01 2.44005e+01 28.280  1.27391e+00  6.85355e-01  0.00000e+00 0.00000e+00 2.75889e+01 28.280  3.18840e+00 28.280  0.5826 
1 1 1 4  17 33 o 15 5.58090e+01 2.70820e+01 1.17450e+01 36.135  5.69825e-01  4.16050e-01  0.00000e+00 0.00000e+00 2.57014e+01 36.135  1.39564e+01 36.135  0.3325 
1 1 1 4  17 34 o 15 5.82952e+01 2.81948e+01 2.26446e+01 323.869 1.11403e+00  -8.13277e-01 0.00000e+00 0.00000e+00 4.49354e+01 323.869 2.22908e+01 323.869 0.5649 
1 1 1 4  17 35 o 15 5.08854e+01 2.54265e+01 1.75913e+01 53.487  6.77862e-01  9.15648e-01  0.00000e+00 0.00000e+00 3.48584e+01 53.487  1.72671e+01 53.487  0.4936 
1 1 1 4  18 0  o 19 4.66217e+01 2.32204e+01 7.30787e+01 0.000   2.45155e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.55721e+01 180.000 1.28651e+02 180.000 0.2404 
1 1 1 4  18 1  o 18 5.37835e+01 1.82173e+01 5.71573e+01 6.936   4.35318e-01  5.29584e-02  0.00000e+00 0.00000e+00 3.91586e+01 186.936 9.63159e+01 186.936 0.2142 
1 1 1 4  18 2  o 17 1.12239e+02 1.21182e+01 1.45065e+02 227.632 -1.58939e+00 -1.74256e+00 0.00000e+00 0.00000e+00 1.36528e+01 47.632  1.58718e+02 47.632  0.7487 
1 1 1 4  18 3  o 4  2.35237e+02 1.11145e+01 1.81139e+02 96.059  -6.47353e-01 6.09844e+00  0.00000e+00 0.00000e+00 1.55658e+02 96.059  2.54811e+01 276.059 0.9144 
1 1 1 4  18 4  o 4  5.32113e+02 1.99599e+01 3.43675e+02 341.710 2.39453e+01  -7.91460e+00 0.00000e+00 0.00000e+00 4.74265e+02 341.710 1.30590e+02 341.710 0.9800 
1 1 1 4  18 5  o 3  2.65214e+02 1.56348e+01 2.17227e+02 165.758 -9.83326e+00 2.49582e+00  0.00000e+00 0.00000e+00 1.78611e+02 165.758 3.86160e+01 345.758 0.9494 
1 1 1 4  18 6  o 2  6.90983e+02 1.97300e+01 4.61893e+02 150.499 -4.70904e+01 2.66439e+01  0.00000e+00 0.00000e+00 6.17331e+02 150.499 1.55438e+02 150.499 0.9907 
1 1 1 4  18 7  o 19 3.92430e+02 3.18587e+01 3.25272e+02 326.294 2.01688e+01  -1.34539e+01 0.00000e+00 0.00000e+00 2.82488e+02 326.294 4.27833e+01 146.294 0.9792 
1 1 1 4  18 8  o 15 5.59126e+01 1.98327e+01 9.54821e+00 341.962 1.01299e-01  -3.29880e-02 0.00000e+00 0.00000e+00 4.82631e+00 161.962 1.43745e+01 161.962 0.0532 
1 1 1 4  18 9  o 13 1.03619e+02 2.10887e+01 8.30604e+01 96.761  -2.17018e-01 1.83065e+00  0.00000e+00 0.00000e+00 2.76902e+01 96.761  5.53703e+01 276.761 0.6703 
1 1 1 4  18 10 o 11 1.26861e+02 2.02671e+01 1.33786e+02 223.179 -2.66692e+00 -2.50255e+00 0.00000e+00 0.00000e+00 3.87565e+01 223.179 9.50297e+01 43.179  0.8489 
1 1 1 4  18 11 o 9  1.58483e+02 1.91320e+01 6.12482e+01 102.221 -4.61946e-01 2.13273e+00  0.00000e+00 0.00000e+00 1.23954e+02 102.221 6.27059e+01 102.221 0.7255 
1 1 1 4  18 12 o 12 9.51472e+01 1.92289e+01 2.41576e+01 334.475 5.34881e-01  -2.55416e-01 0.00000e+00 0.00000e+00 1.96294e+01 334.475 4.52816e+00 154.475 0.2841 
1 1 1 4  18 13 o 10 1.15222e+02 3.37151e+01 1.15972e+02 344.473 2.66589e+00  -7.40671e-01 0.00000e+00 0.00000e+00 3.26421e+01 344.473 8.33298e+01 164.473 0.7912 
1 1 1 4  18 14 o 2  7.28272e+01 3.09097e+01 1.59933e+02 308.957 1.61161e+00  -1.99320e+00 0.00000e+00 0.00000e+00 6.76842e+01 128.957 2.27618e+02 128.957 0.7717 
1 1 1 4  18 15 o 3  2.78099e+02 1.69483e+01 1.39903e+02 146.002 -5.97676e+00 4.03108e+00  0.00000e+00 0.00000e+00 2.86722e+02 146.002 1.46819e+02 146.002 0.9278 
1 1 1 4  18 16 o 9  1.96791e+02 1.69580e+01 9.92387e+01 153.442 -4.26703e+00 2.13282e+00  0.00000e+00 0.00000e+00 1.91897e+02 153.442 9.26584e+01 153.442 0.8878 
1 1 1 4  18 17 o 14 1.61249e+02 2.20381e+01 8.31875e+01 345.893 2.74563e+00  -6.90001e-01 0.00000e+00 0.00000e+00 1.32677e+02 345.893 4.94892e+01 345.893 0.7967 
1 1 1 4  18 18 o 12 1.93404e+02 1.93340e+01 1.60168e+02 199.794 -6.52717e+00 -2.34909e+00 0.00000e+00 0.00000e+00 1.43054e+02 199.794 1.71136e+01 19.794  0.9248 
1 1 1 4  18 19 o 5  1.43234e+02 4.99042e+01 1.46000e+02 184.491 -4.07444e+00 -3.20018e-01 0.00000e+00 0.00000e+00 6.64454e+01 184.491 7.95543e+01 4.491   0.8668 
1 1 1 4  18 20 o 1  6.25684e+01 2.61493e+01 4.66258e+01 54.088  5.82490e-01  8.04321e-01  0.00000e+00 0.00000e+00 1.37350e+00 54.088  4.52523e+01 234.088 0.4439 
1 1 1 4  18 21 o 14 8.05967e+01 2.99593e+01 9.96881e+01 62.107  1.23358e+00  2.33051e+00  0.00000e+00 0.00000e+00 9.94950e+00 62.107  8.97386e+01 242.107 0.7791 
1 1 1 4  18 22 o 6  9.57735e+01 3.08838e+01 5.60099e+01 88.416  5.78138e-02  2.09096e+00  0.00000e+00 0.00000e+00 6.43986e+01 88.416  8.38872e+00 88.416  0.7123 
1 1 1 4  18 23 o 9  8.18037e+01 3.07222e+01 9.70437e+01 264.829 -2.81325e-01 -3.10840e+00 0.00000e+00 0.00000e+00 2.24950e+01 264.829 7.45487e+01 84.829  0.8186 
1 1 1 4  18 24 f 0  1.03061e+02 3.13518e+01 7.72567e+01 182.605 -3.58390e+00 -1.63058e-01 0.00000e+00 0.00000e+00 8.01677e+01 182.605 2.91101e+00 182.605 0.8456 
1 1 1 4  18 25 o 8  4.77566e+01 2.27744e+01 1.20217e+01 78.894  6.32916e-02  3.22410e-01  0.00000e+00 0.00000e+00 2.13717e+00 78.894  9.88454e+00 258.894 0.1621 
1 1 1 4  18 26 o 19 1.01031e+02 2.96662e+01 9.26841e+00 310.578 3.44675e-01  -4.02458e-01 0.00000e+00 0.00000e+00 3.86583e+01 310.578 2.93899e+01 310.578 0.2561 
1 1 1 4  18 27 o 10 6.58817e+01 2.83836e+01 3.22965e+01 24.894  1.28400e+00  5.95847e-01  0.00000e+00 0.00000e+00 3.87725e+01 24.894  6.47606e+00 24.894  0.5745 
1 1 1 4  18 28 o 10 5.46883e+01 2.75162e+01 9.49274e+01 218.779 -3.19525e+00 -2.56713e+00 0.00000e+00 0.00000e+00 4.63799e+00 38.779  9.95654e+01 38.779  0.8672 
1 1 1 4  18 29 o 10 6.70541e+01 2.95068e+01 2.27676e+01 129.381 -7.59352e-01 9.25069e-01  0.00000e+00 0.00000e+00 4.35119e+01 129.381 2.07442e+01 129.381 0.5118 
1 1 1 4  18 30 o 15 5.69395e+01 2.70435e+01 7.09666e+01 79.438  6.80390e-01  3.64915e+00  0.00000e+00 0.00000e+00 2.40713e+01 79.438  4.68953e+01 259.438 0.8515 
1 1 1 4  18 31 o 17 5.26983e+01 2.55604e+01 1.28587e+01 218.362 -5.95192e-01 -4.71110e-01 0.00000e+00 0.00000e+00 2.43397e+01 218.362 1.14809e+01 218.362 0.3546 
1 1 1 4  18 32 o 1  7.02193e+01 3.19930e+01 4.73603e+01 25.483  2.37403e+00  1.13149e+00  0.00000e+00 0.00000e+00 6.31921e+01 25.483  1.58318e+01 25.483  0.7784 
1 1 1 4  18 33 o 10 5.16249e+01 2.54658e+01 2.69345e+01 322.840 1.36244e+00  -1.03266e+00 0.00000e+00 0.00000e+00 4.14020e+01 322.840 1.44675e+01 322.840 0.6438 
1 1 1 4  18 34 o 9  5.50047e+01 2.69437e+01 1.68199e+01 213.544 -8.87606e-01 -5.88482e-01 0.00000e+00 0.00000e+00 3.71150e+01 213.544 2.02952e+01 213.544 0.4689 
1 1 1 4  19 0  o 1  2.80989e+01 1.99361e+01 7.36390e+01 180.000 -2.28178e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.35967e+01 0.000   1.37236e+02 0.000   0.2243 
1 1 1 4  19 1  f 0  1.01969e+02 1.38663e+01 8.73356e+01 201.953 -1.82079e+00 -7.33929e-01 0.00000e+00 0.00000e+00 2.50655e+01 201.953 6.22702e+01 21.953  0.6916 
1 1 1 4  19 2  o 18 2.31556e+02 1.11035e+01 1.18890e+02 359.910 6.11305e+00  -9.62155e-03 0.00000e+00 0.00000e+00 2.18707e+02 359.910 9.98180e+01 359.910 0.9141 
1 1 1 4  19 3  o 8  1.17381e+02 1.67492e+01 7.15153e+01 288.802 5.79906e-01  -1.70325e+00 0.00000e+00 0.00000e+00 5.25626e+01 288.802 1.89527e+01 108.802 0.6619 
1 1 1 4  19 4  o 7  5.38153e+01 1.98273e+01 1.29247e+02 45.547  9.87726e-01  1.00677e+00  0.00000e+00 0.00000e+00 7.98984e+01 225.547 2.09145e+02 225.547 0.5732 
1 1 1 4  19 5  o 4  3.61201e+01 1.57234e+01 3.14820e+01 19.187  2.19989e-01  7.65512e-02  0.00000e+00 0.00000e+00 2.47821e+01 199.187 5.62642e+01 199.187 0.1157 
1 1 1 4  19 6  o 2  2.85154e+02 1.46392e+01 1.37532e+02 179.021 -8.84665e+00 1.51137e-01  0.00000e+00 0.00000e+00 2.94226e+02 179.021 1.56694e+02 179.021 0.9417 
1 1 1 4  19 7  o 18 3.00066e+02 1.22340e+01 2.17575e+02 44.176  1.04863e+01  1.01888e+01  0.00000e+00 0.00000e+00 2.49630e+02 44.176  3.20549e+01 44.176  0.9652 
1 1 1 4  19 8  o 10 1.38098e+02 1.28645e+01 9.59242e+01 275.298 2.74974e-01  -2.96526e+00 0.00000e+00 0.00000e+00 8.48407e+01 275.298 1.10835e+01 95.298  0.8083 
1 1 1 4  19 9  o 16 1.56496e+02 3.01668e+01 1.01053e+02 195.944 -3.12155e+00 -8.91795e-01 0.00000e+00 0.00000e+00 1.09338e+02 195.944 8.28488e+00 195.944 0.8267 
1 1 1 4  19 10 o 5  6.86796e+01 2.34509e+01 7.68478e+01 292.300 5.02029e-01  -1.22408e+00 0.00000e+00 0.00000e+00 1.52072e+01 112.300 9.20549e+01 112.300 0.5492 
1 1 1 4  19 11 o 5  2.15725e+02 2.10742e+01 1.92183e+02 144.700 -8.04347e+00 5.69500e+00  0.00000e+00 0.00000e+00 1.43709e+02 144.700 4.84738e+01 324.700 0.9478 
1 1 1 4  19 12 o 15 1.45776e+02 2.73760e+01 1.07054e+02 44.440  2.42070e+00  2.37382e+00  0.00000e+00 0.00000e+00 9.41101e+01 44.440  1.29444e+01 224.440 0.8352 
1 1 1 4  19 13 o 8  1.57760e+02 1.59670e+01 4.68122e+01 196.005 -1.77153e+00 -5.08145e-01 0.00000e+00 0.00000e+00 1.28999e+02 196.005 8.21865e+01 196.005 0.6702 
1 1 1 4  19 14 o 10 7.50527e+01 3.14708e+01 1.26089e+02 138.952 -1.29538e+00 1.12797e+00  0.00000e+00 0.00000e+00 4.49821e+01 318.952 1.71071e+02 318.952 0.6455 
1 1 1 4  19 15 o 3  3.30965e+02 4.60245e+01 2.29282e+02 340.418 1.26483e+01  -4.49947e+00 0.00000e+00 0.00000e+00 3.07651e+02 340.418 7.83690e+01 340.418 0.9620 
1 1 1 4  19 16 o 17 1.12523e+02 2.22206e+01 1.10022e+02 308.545 1.71126e+00  -2.14787e+00 0.00000e+00 0.00000e+00 4.09345e+01 308.545 6.90872e+01 128.545 0.7893 
1 1 1 4  19 17 o 6  1.38888e+02 2.21841e+01 9.04499e+01 170.606 -3.24623e+00 5.37090e-01  0.00000e+00 0.00000e+00 1.06963e+02 170.606 1.65135e+01 170.606 0.8294 
1 1 1 4  19 18 o 5  2.39015e+02 2.07992e+01 1.13240e+02 88.891  1.56529e-01  8.08337e+00  0.00000e+00 0.00000e+00 2.73553e+02 88.891  1.60313e+02 88.891  0.9359 
1 1 1 4  19 19 o 9  8.86962e+01 2.82320e+01 3.89584e+01 245.460 -4.73932e-01 -1.03804e+00 0.00000e+00 0.00000e+00 3.75356e+01 245.460 1.42275e+00 65.460  0.4942 
1 1 1 4  19 20 o 16 6.25936e+01 2.63438e+01 6.87015e+01 343.742 1.44470e+00  -4.21317e-01 0.00000e+00 0.00000e+00 2.80266e+00 163.742 7.15041e+01 163.742 0.5973 
1 1 1 4  19 21 o 3  9.04730e+01 2.94749e+01 2.81759e+01 9.182   1.01454e+00  1.63993e-01  0.00000e+00 0.00000e+00 4.53125e+01 9.182   1.71367e+01 9.182   0.4561 
1 1 1 4  19 22 o 10 1.01527e+02 3.05363e+01 7.63116e+01 192.987 -2.99284e+00 -6.90231e-01 0.00000e+00 0.00000e+00 7.26704e+01 192.987 3.64111e+00 12.987  0.8151 
1 1 1 4  19 23 o 3  1.28095e+02 2.85900e+01 1.26841e+02 86.606  4.66889e-01  7.87245e+00  0.00000e+00 0.00000e+00 9.10589e+01 86.606  3.57825e+01 266.606 0.9343 
1 1 1 4  19 24 o 8  7.09626e+01 2.85312e+01 3.66723e+01 338.345 1.29519e+00  -5.14229e-01 0.00000e+00 0.00000e+00 3.76827e+01 338.345 1.01041e+00 338.345 0.5687 
1 1 1 4  19 25 o 19 5.47728e+01 2.42000e+01 2.86518e+01 254.211 -2.87445e-01 -1.01653e+00 0.00000e+00 0.00000e+00 1.89621e+01 254.211 9.68974e+00 74.211  0.4660 
1 1 1 4  19 26 o 10 6.46121e+01 2.78528e+01 1.94828e+01 314.052 5.68087e-01  -5.87202e-01 0.00000e+00 0.00000e+00 2.66449e+01 314.052 7.16217e+00 314.052 0.3778 
1 1 1 4  19 27 o 3  6.83943e+01 2.94427e+01 3.53277e+01 192.293 -1.67372e+00 -3.64721e-01 0.00000e+00 0.00000e+00 4.90904e+01 192.293 1.37627e+01 192.293 0.6446 
1 1 1 4  19 28 f 0  8.46225e+01 3.88474e+01 2.05460e+01 21.137  8.64739e-01  3.34316e-01  0.00000e+00 0.00000e+00 4.84597e+01 21.137  2.79137e+01 21.137  0.4200 
1 1 1 4  19 29 o 1  6.63514e+01 2.95013e+01 3.47180e+01 87.951  6.65004e-02  1.85853e+00  0.00000e+00 0.00000e+00 5.32872e+01 87.951  1.85692e+01 87.951  0.6733 
1 1 1 4  19 30 o 13 7.43445e+01 3.21959e+01 1.81834e+01 157.290 -9.38276e-01 3.92681e-01  0.00000e+00 0.00000e+00 4.90654e+01 157.290 3.08820e+01 157.290 0.4524 
1 1 1 4  19 31 o 3  4.21976e+01 2.11716e+01 4.63142e+01 337.532 2.53423e+00  -1.04805e+00 0.00000e+00 0.00000e+00 2.12816e+01 337.532 2.50326e+01 157.532 0.7890 
1 1 1 4  19 32 o 12 5.52887e+01 2.68021e+01 1.28839e+01 322.904 6.07696e-01  -4.59533e-01 0.00000e+00 0.00000e+00 2.76881e+01 322.904 1.48043e+01 322.904 0.3557 
1 1 1 4  19 33 o 10 5.22737e+01 2.57205e+01 1.22521e+01 307.191 4.71462e-01  -6.21330e-01 0.00000e+00 0.00000e+00 2.75430e+01 307.191 1.52909e+01 307.191 0.3630 
1 1 1 4  20 0  o 18 1.11062e+02 4.29099e+01 1.79651e+01 180.000 -1.98476e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.74324e+01 180.000 5.32673e-01 0.000   0.1959 
1 1 1 4  20 1  o 3  3.90112e+01 1.58635e+01 6.47268e+01 170.491 -5.54810e-01 9.29300e-02  0.00000e+00 0.00000e+00 4.75423e+01 350.491 1.12269e+02 350.491 0.2707 
1 1 1 4  20 2  o 9  4.07767e+01 1.60414e+01 7.26784e+01 192.766 -6.40487e-01 -1.45119e-01 0.00000e+00 0.00000e+00 5.19704e+01 12.766  1.24649e+02 12.766  0.3118 
1 1 1 4  20 3  o 2  5.25447e+01 2.07225e+01 1.10328e+02 151.603 -1.11791e+00 6.04366e-01  0.00000e+00 0.00000e+00 6.45621e+01 331.603 1.74890e+02 331.603 0.5342 
1 1 1 4  20 4  o 7  1.63208e+02 1.23603e+01 1.33138e+02 150.503 -4.31836e+00 2.44295e+00  0.00000e+00 0.00000e+00 1.04788e+02 150.503 2.83503e+01 330.503 0.8925 
1 1 1 4  20 5  o 4  6.60882e+01 2.15061e+01 1.05111e+02 173.404 -1.47181e+00 1.70199e-01  0.00000e+00 0.00000e+00 4.11072e+01 353.404 1.46218e+02 353.404 0.5916 
1 1 1 4  20 7  o 3  2.63367e+02 1.21413e+01 1.35608e+02 1.140   9.91967e+00  1.97401e-01  0.00000e+00 0.00000e+00 2.75702e+02 1.140   1.40094e+02 1.140   0.9482 
1 1 1 4  20 8  o 5  2.65103e+02 1.32843e+01 1.38654e+02 113.947 -4.03905e+00 9.09460e+00  0.00000e+00 0.00000e+00 2.77006e+02 113.947 1.38352e+02 113.947 0.9483 
1 1 1 4  20 9  o 7  3.11878e+02 1.29847e+01 1.93606e+02 173.850 -1.51241e+01 1.62970e+00  0.00000e+00 0.00000e+00 3.06924e+02 173.850 1.13317e+02 173.850 0.9666 
1 1 1 4  20 10 o 9  5.27775e+01 2.19661e+01 8.91977e+01 61.116  5.22354e-01  9.46878e-01  0.00000e+00 0.00000e+00 4.74167e+01 241.116 1.36614e+02 241.116 0.4745 
1 1 1 4  20 11 o 17 1.21344e+02 2.74199e+01 1.72930e+02 35.459  3.90533e+00  2.78139e+00  0.00000e+00 0.00000e+00 7.88147e+00 35.459  1.65048e+02 215.459 0.8884 
1 1 1 4  20 12 o 17 1.10560e+02 3.03950e+01 1.07056e+02 56.720  1.20730e+00  1.83932e+00  0.00000e+00 0.00000e+00 2.87388e+01 56.720  7.83168e+01 236.720 0.7281 
1 1 1 4  20 13 o 8  9.95573e+01 3.42933e+01 1.05156e+02 228.840 -1.44019e+00 -1.64745e+00 0.00000e+00 0.00000e+00 1.76153e+01 228.840 8.75408e+01 48.840  0.7264 
1 1 1 4  20 14 o 11 8.04041e+01 3.31707e+01 1.26471e+02 284.585 4.95450e-01  -1.90412e+00 0.00000e+00 0.00000e+00 3.13164e+01 104.585 1.57788e+02 104.585 0.6924 
1 1 1 4  20 15 f 0  6.05350e+01 2.77144e+01 2.50813e+01 74.796  8.48929e-02  3.12365e-01  0.00000e+00 0.00000e+00 8.42887e+00 254.796 3.35102e+01 254.796 0.1598 
1 1 1 4  20 17 o 6  5.32570e+01 2.20920e+01 3.70490e+01 44.427  4.57853e-01  4.48792e-01  0.00000e+00 0.00000e+00 8.61183e+00 224.427 4.56609e+01 224.427 0.3051 
1 1 1 4  20 18 o 1  2.50016e+02 4.42379e+01 1.21517e+02 209.973 -6.21513e+00 -3.58435e+00 0.00000e+00 0.00000e+00 2.87823e+02 209.973 1.66305e+02 209.973 0.9274 
1 1 1 4  20 19 o 16 7.17126e+01 2.70908e+01 6.32469e+01 1.063   1.62549e+00  3.01657e-02  0.00000e+00 0.00000e+00 1.67112e+01 1.063   4.65357e+01 181.063 0.6257 
1 1 1 4  20 20 o 18 1.38723e+02 2.59364e+01 1.59500e+02 60.267  5.08504e+00  8.90301e+00  0.00000e+00 0.00000e+00 7.76294e+01 60.267  8.18705e+01 240.267 0.9499 
1 1 1 4  20 21 o 4  1.24171e+02 2.83153e+01 8.92247e+01 150.936 -4.03783e+00 2.24408e+00  0.00000e+00 0.00000e+00 1.10299e+02 150.936 2.10741e+01 150.936 0.8837 
1 1 1 4  20 22 o 5  4.41455e+01 2.08681e+01 6.49763e+01 253.212 -4.86220e-01 -1.61171e+00 0.00000e+00 0.00000e+00 1.31820e+01 73.212  7.81583e+01 73.212  0.6383 
1 1 1 4  20 23 f 0  7.97552e+01 2.88192e+01 3.12118e+01 26.675  1.18461e+00  5.95152e-01  0.00000e+00 0.00000e+00 5.03355e+01 26.675  1.91237e+01 26.675  0.5500 
1 1 1 4  20 24 o 18 6.47457e+01 2.67005e+01 2.87674e+01 34.805  9.56395e-01  6.64837e-01  0.00000e+00 0.00000e+00 3.23434e+01 34.805  3.57598e+00 34.805  0.5017 
1 1 1 4  20 25 f 0  8.11268e+01 2.93293e+01 6.83577e+01 244.690 -1.46618e+00 -3.10035e+00 0.00000e+00 0.00000e+00 6.10215e+01 244.690 7.33621e+00 64.690  0.8373 
1 1 1 4  20 26 o 12 4.71706e+01 2.26007e+01 2.73552e+01 140.099 -9.28900e-01 7.76701e-01  0.00000e+00 0.00000e+00 1.96137e+01 140.099 7.74151e+00 320.099 0.5161 
1 1 1 4  20 27 o 11 7.30637e+01 3.06155e+01 5.84130e+01 243.841 -1.37238e+00 -2.79405e+00 0.00000e+00 0.00000e+00 5.84408e+01 243.841 2.78519e-02 243.841 0.8180 
1 1 1 4  20 28 o 9  6.57612e+01 2.93680e+01 2.77886e+01 37.823  1.14901e+00  8.92004e-01  0.00000e+00 0.00000e+00 4.84408e+01 37.823  2.06522e+01 37.823  0.5847 
1 1 1 4  20 29 f 0  5.19544e+01 2.62901e+01 5.15952e+01 42.053  1.91510e+00  1.72759e+00  0.00000e+00 0.00000e+00 2.92119e+01 42.053  2.23833e+01 222.053 0.7733 
1 1 1 4  20 30 o 13 5.12201e+01 2.48900e+01 3.34082e+01 244.287 -8.41009e-01 -1.74646e+00 0.00000e+00 0.00000e+00 3.84645e+01 244.287 5.05626e+00 244.287 0.6874 
1 1 1 4  20 31 f 0  5.70541e+01 2.73867e+01 3.37608e+01 34.126  1.65855e+00  1.12401e+00  0.00000e+00 0.00000e+00 4.88357e+01 34.126  1.50749e+01 34.126  0.6984 
1 1 1 4  20 32 o 9  4.98526e+01 2.46008e+01 6.96400e+00 45.414  3.14572e-01  3.19155e-01  0.00000e+00 0.00000e+00 1.59909e+01 45.414  9.02687e+00 45.414  0.2186 
1 1 1 4  20 33 o 15 4.83819e+01 2.41065e+01 3.25829e+01 182.365 -2.15887e+00 -8.91692e-02 0.00000e+00 0.00000e+00 4.22552e+01 182.365 9.67232e+00 182.365 0.7225 
1 1 1 4  21 0  o 11 1.52869e+02 4.06723e+01 2.11843e+02 0.000   3.92695e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.21523e+01 0.000   1.69690e+02 180.000 0.9992 
1 1 1 4  21 1  o 15 1.46140e+02 1.41477e+01 1.55351e+02 343.977 6.05008e+00  -1.73745e+00 0.00000e+00 0.00000e+00 6.74685e+01 343.977 8.78823e+01 163.977 0.9167 
1 1 1 4  21 2  o 2  1.82156e+02 1.30494e+01 2.18644e+02 74.998  2.86706e+00  1.06984e+01  0.00000e+00 0.00000e+00 7.05244e+01 74.998  1.48120e+02 254.998 0.9537 
1 1 1 4  21 3  o 3  4.37886e+01 1.75031e+01 4.51522e+01 96.679  -6.16072e-02 5.26122e-01  0.00000e+00 0.00000e+00 2.64712e+01 276.679 7.16235e+01 276.679 0.2560 
1 1 1 4  21 4  o 14 7.31494e+01 1.77589e+01 4.79973e+00 309.585 5.93035e-02  -7.17250e-02 0.00000e+00 0.00000e+00 8.77025e-01 309.585 3.92271e+00 129.585 0.0465 
1 1 1 4  21 5  o 8  2.12975e+02 1.54531e+01 1.15243e+02 87.317  2.90895e-01  6.20771e+00  0.00000e+00 0.00000e+00 2.11045e+02 87.317  9.58015e+01 87.317  0.9156 
1 1 1 4  21 6  o 1  7.02192e+01 2.21965e+01 4.35042e+01 203.828 -6.62898e-01 -2.92754e-01 0.00000e+00 0.00000e+00 3.38943e+00 23.828  4.68937e+01 23.828  0.3405 
1 1 1 4  21 7  o 11 2.42595e+02 1.27291e+01 1.01571e+02 281.956 1.26659e+00  -5.98139e+00 0.00000e+00 0.00000e+00 2.71751e+02 281.956 1.70180e+02 281.956 0.9141 
1 1 1 4  21 8  o 2  6.09420e+01 1.71672e+01 8.66268e+01 266.934 -7.21108e-02 -1.34624e+00 0.00000e+00 0.00000e+00 2.93372e+01 86.934  1.15964e+02 86.934  0.5563 
1 1 1 4  21 9  o 17 8.26708e+01 1.69560e+01 7.59513e+01 317.302 8.86265e-01  -8.17764e-01 0.00000e+00 0.00000e+00 3.75044e+00 137.302 7.97017e+01 137.302 0.5146 
1 1 1 4  21 10 o 11 1.48784e+02 2.29251e+01 1.66044e+02 144.517 -4.00788e+00 2.85705e+00  0.00000e+00 0.00000e+00 6.01557e+01 144.517 1.05889e+02 324.517 0.8915 
1 1 1 4  21 11 o 16 5.43907e+01 2.31040e+01 5.63211e+01 201.814 -6.76646e-01 -2.70827e-01 0.00000e+00 0.00000e+00 2.44147e+01 21.814  8.07358e+01 21.814  0.3422 
1 1 1 4  21 12 o 4  1.35233e+02 2.82727e+01 1.06943e+02 46.089  2.06584e+00  2.14592e+00  0.00000e+00 0.00000e+00 8.15609e+01 46.089  2.53824e+01 226.089 0.8084 
1 1 1 4  21 13 f 0  8.67000e+01 2.10254e+01 3.26083e+01 259.222 -1.19786e-01 -6.29273e-01 0.00000e+00 0.00000e+00 1.32628e+01 259.222 1.93455e+01 79.222  0.3049 
1 1 1 4  21 14 o 6  1.10774e+02 4.94970e+01 1.61463e+02 345.734 3.16985e+00  -8.05994e-01 0.00000e+00 0.00000e+00 1.18925e+00 165.734 1.62652e+02 165.734 0.8282 
1 1 1 4  21 15 o 14 5.80554e+01 2.72197e+01 8.30092e+01 163.577 -1.30163e+00 3.83666e-01  0.00000e+00 0.00000e+00 2.59219e+01 343.577 1.08931e+02 343.577 0.5587 
1 1 1 4  21 16 o 7  8.94722e+01 2.31266e+01 7.29243e+01 108.772 -7.66776e-01 2.25601e+00  0.00000e+00 0.00000e+00 4.63553e+01 108.772 2.65690e+01 288.772 0.7516 
1 1 1 4  21 17 o 10 2.07104e+02 3.46083e+01 1.70171e+02 107.053 -2.88906e+00 9.41838e+00  0.00000e+00 0.00000e+00 1.80904e+02 107.053 1.07334e+01 107.053 0.9478 
1 1 1 4  21 18 o 14 1.73893e+02 3.76364e+01 1.62515e+02 268.518 -2.14445e-01 -8.28756e+00 0.00000e+00 0.00000e+00 1.31671e+02 268.518 3.08438e+01 88.518  0.9376 
1 1 1 4  21 19 o 3  1.32465e+02 2.75515e+01 6.54472e+01 4.834   3.86087e+00  3.26490e-01  0.00000e+00 0.00000e+00 1.41678e+02 4.834   7.62306e+01 4.834   0.8585 
1 1 1 4  21 20 o 4  1.17794e+02 2.72861e+01 6.62211e+01 81.936  4.66757e-01  3.29447e+00  0.00000e+00 0.00000e+00 1.13941e+02 81.936  4.77202e+01 81.936  0.8316 
1 1 1 4  21 21 o 4  6.89166e+01 2.62118e+01 2.69370e+01 318.420 7.18571e-01  -6.37533e-01 0.00000e+00 0.00000e+00 2.84251e+01 318.420 1.48810e+00 318.420 0.4323 
1 1 1 4  21 22 o 16 4.98977e+01 2.27133e+01 2.68700e+01 63.170  3.82821e-01  7.56869e-01  0.00000e+00 0.00000e+00 9.69118e+00 63.170  1.71788e+01 243.170 0.3900 
1 1 1 4  21 23 o 3  5.90888e+01 2.49462e+01 6.08249e+01 206.783 -2.12389e+00 -1.07206e+00 0.00000e+00 0.00000e+00 2.35144e+01 206.783 3.73105e+01 26.783  0.7512 
1 1 1 4  21 24 o 9  7.82041e+01 2.87273e+01 4.15471e+01 198.443 -1.94753e+00 -6.49498e-01 0.00000e+00 0.00000e+00 6.46556e+01 198.443 2.31085e+01 198.443 0.7063 
1 1 1 4  21 25 o 2  5.40194e+01 2.49928e+01 4.82802e+01 49.382  1.44585e+00  1.68585e+00  0.00000e+00 0.00000e+00 2.85816e+01 49.382  1.96986e+01 229.382 0.7309 
1 1 1 4  21 26 o 17 6.97954e+01 2.95871e+01 3.53100e+01 173.120 -1.86458e+00 2.24963e-01  0.00000e+00 0.00000e+00 5.78231e+01 173.120 2.25131e+01 173.120 0.6767 
1 1 1 4  21 27 o 9  4.27890e+01 2.10519e+01 3.53232e+01 355.331 1.79545e+00  -1.46623e-01 0.00000e+00 0.00000e+00 2.13111e+01 355.331 1.40120e+01 175.331 0.6623 
1 1 1 4  21 28 o 18 6.38073e+01 2.87999e+01 2.04726e+01 201.645 -1.02894e+00 -4.08330e-01 0.00000e+00 0.00000e+00 4.19787e+01 201.645 2.15061e+01 201.645 0.4830 
1 1 1 4  21 29 f 0  6.76585e+01 3.34339e+01 2.64269e+01 192.178 -1.25202e+00 -2.70188e-01 0.00000e+00 0.00000e+00 4.82752e+01 192.178 2.18483e+01 192.178 0.5371 
1 1 1 4  21 30 o 14 5.79899e+01 2.74013e+01 5.93900e+01 345.400 3.45471e+00  -8.99880e-01 0.00000e+00 0.00000e+00 4.28106e+01 345.400 1.65793e+01 165.400 0.8447 
1 1 1 4  21 31 o 6  6.53415e+01 2.99382e+01 7.90655e+00 296.663 2.11687e-01  -4.21570e-01 0.00000e+00 0.00000e+00 2.38723e+01 296.663 1.59658e+01 296.663 0.2295 
1 1 1 4  21 32 o 9  5.67467e+01 2.73311e+01 4.52603e+00 45.768  1.96713e-01  2.02058e-01  0.00000e+00 0.00000e+00 1.25296e+01 45.768  8.00355e+00 45.768  0.1396 
1 1 1 4  22 1  o 9  1.41483e+02 2.01417e+01 1.47334e+02 291.646 1.82828e+00  -4.60679e+00 0.00000e+00 0.00000e+00 6.75241e+01 291.646 7.98103e+01 111.646 0.8924 
1 1 1 4  22 2  o 18 9.17217e+01 1.70247e+01 5.05450e+01 53.575  6.67911e-01  9.05102e-01  0.00000e+00 0.00000e+00 2.58241e+01 53.575  2.47209e+01 233.575 0.4889 
1 1 1 4  22 3  o 8  8.81126e+01 1.85068e+01 2.47116e+01 110.785 -1.98258e-01 5.22339e-01  0.00000e+00 0.00000e+00 1.57046e+01 110.785 9.00694e+00 290.785 0.2690 
1 1 1 4  22 4  o 14 2.58125e+02 4.26527e+01 2.08357e+02 286.661 2.97154e+00  -9.92903e+00 0.00000e+00 0.00000e+00 2.10741e+02 286.661 2.38406e+00 286.661 0.9505 
1 1 1 4  22 5  o 5  2.31802e+02 2.04502e+01 1.19999e+02 58.448  3.61013e+00  5.87919e+00  0.00000e+00 0.00000e+00 2.46869e+02 58.448  1.26870e+02 58.448  0.9244 
1 1 1 4  22 6  o 10 5.79529e+01 2.25915e+01 1.53646e+02 24.832  1.50345e+00  6.95708e-01  0.00000e+00 0.00000e+00 9.07096e+01 204.832 2.44355e+02 204.832 0.6325 
1 1 1 4  22 7  o 5  5.81988e+02 1.75849e+01 3.33224e+02 173.391 -4.02788e+01 4.66704e+00  0.00000e+00 0.00000e+00 6.56826e+02 173.391 3.23603e+02 173.391 0.9876 
1 1 1 4  22 8  o 4  1.83370e+02 1.42864e+01 8.60967e+01 207.425 -2.93949e+00 -1.52532e+00 0.00000e+00 0.00000e+00 1.77260e+02 207.425 9.11631e+01 207.425 0.8306 
1 1 1 4  22 9  o 6  2.58515e+02 2.79230e+01 1.84380e+02 36.350  8.68400e+00  6.39061e+00  0.00000e+00 0.00000e+00 2.43174e+02 36.350  5.87942e+01 36.350  0.9524 
1 1 1 4  22 10 o 5  1.93798e+02 5.80228e+01 1.98487e+02 151.594 -4.77694e+00 2.58350e+00  0.00000e+00 0.00000e+00 1.06687e+02 151.594 9.18001e+01 331.594 0.9025 
1 1 1 4  22 11 o 13 4.86737e+01 2.15779e+01 3.81985e+01 134.734 -2.97245e-01 3.00018e-01  0.00000e+00 0.00000e+00 2.05599e+01 314.734 5.87584e+01 314.734 0.2066 
1 1 1 4  22 12 o 9  1.10635e+02 2.83398e+01 7.10525e+01 309.885 1.06906e+00  -1.27924e+00 0.00000e+00 0.00000e+00 5.28587e+01 309.885 1.81938e+01 129.885 0.6348 
1 1 1 4  22 13 o 19 8.20132e+01 3.38113e+01 2.19974e+02 336.893 4.29003e+00  -1.83046e+00 0.00000e+00 0.00000e+00 9.11141e+01 156.893 3.11088e+02 156.893 0.8850 
1 1 1 4  22 14 o 4  6.64090e+01 3.02107e+01 9.01441e+01 159.732 -1.64150e+00 6.06154e-01  0.00000e+00 0.00000e+00 1.27313e+01 339.732 1.02875e+02 339.732 0.6521 
1 1 1 4  22 15 o 6  8.12759e+01 3.76463e+01 1.63255e+02 225.293 -2.50370e+00 -2.52942e+00 0.00000e+00 0.00000e+00 3.97141e+01 45.293  2.02969e+02 45.293  0.8441 
1 1 1 4  22 16 o 9  1.14350e+02 3.92417e+01 1.30339e+02 41.488  3.12430e+00  2.76303e+00  0.00000e+00 0.00000e+00 5.01636e+01 41.488  8.01755e+01 221.488 0.8698 
1 1 1 4  22 17 o 19 7.68364e+01 2.44642e+01 4.09698e+01 216.417 -1.15554e+00 -8.52481e-01 0.00000e+00 0.00000e+00 4.05702e+01 216.417 3.99525e-01 36.417  0.5799 
1 1 1 4  22 18 o 6  8.40573e+01 2.62816e+01 8.70385e+01 350.334 3.26828e+00  -5.56637e-01 0.00000e+00 0.00000e+00 4.18988e+01 350.334 4.51397e+01 170.334 0.8308 
1 1 1 4  22 19 o 10 1.33080e+02 2.61719e+01 9.35062e+01 112.472 -2.46776e+00 5.96607e+00  0.00000e+00 0.00000e+00 1.34382e+02 112.472 4.08756e+01 112.472 0.9189 
1 1 1 4  22 20 o 5  7.33465e+01 2.70420e+01 8.23018e+01 183.109 -3.33433e+00 -1.81101e-01 0.00000e+00 0.00000e+00 3.25765e+01 183.109 4.97253e+01 3.109   0.8322 
1 1 1 4  22 21 o 16 6.49511e+01 2.60904e+01 4.36982e+01 18.908  1.43437e+00  4.91316e-01  0.00000e+00 0.00000e+00 3.04181e+01 18.908  1.32801e+01 198.908 0.6001 
1 1 1 4  22 22 o 19 5.11988e+01 2.29681e+01 1.14393e+01 284.858 1.05833e-01  -3.98915e-01 0.00000e+00 0.00000e+00 8.44919e+00 284.858 2.99008e+00 104.858 0.2021 
1 1 1 4  22 23 o 14 7.26057e+01 2.80418e+01 3.89517e+01 166.163 -1.77573e+00 4.37362e-01  0.00000e+00 0.00000e+00 5.52795e+01 166.163 1.63277e+01 166.163 0.6676 
1 1 1 4  22 24 o 4  4.98120e+01 2.30037e+01 3.44082e+01 243.885 -6.97826e-01 -1.42350e+00 0.00000e+00 0.00000e+00 2.60108e+01 243.885 8.39733e+00 63.885  0.6165 
1 1 1 4  22 25 o 9  3.73377e+01 1.85934e+01 9.80327e+00 344.410 4.47136e-01  -1.24754e-01 0.00000e+00 0.00000e+00 7.00956e+00 344.410 2.79371e+00 164.411 0.2261 
1 1 1 4  22 26 o 19 5.37741e+01 2.51060e+01 2.09114e+01 351.412 1.08221e+00  -1.63430e-01 0.00000e+00 0.00000e+00 3.10432e+01 351.412 1.01319e+01 351.412 0.4789 
1 1 1 4  22 27 f 0  7.27788e+01 3.05010e+01 3.46804e+01 87.767  7.50309e-02  1.92460e+00  0.00000e+00 0.00000e+00 6.72945e+01 87.767  3.26140e+01 87.767  0.6853 
1 1 1 4  22 28 o 13 5.42839e+01 2.54716e+01 1.39609e+01 17.140  7.99029e-01  2.46431e-01  0.00000e+00 0.00000e+00 2.94086e+01 17.140  1.54477e+01 17.140  0.3853 
1 1 1 4  22 29 o 7  6.12832e+01 3.06842e+01 3.01987e+01 254.556 -4.06962e-01 -1.47309e+00 0.00000e+00 0.00000e+00 4.75327e+01 254.556 1.73339e+01 254.556 0.6030 
1 1 1 4  22 30 o 12 5.61301e+01 2.67506e+01 3.56258e+01 129.016 -1.39138e+00 1.71721e+00  0.00000e+00 0.00000e+00 5.17818e+01 129.016 1.61560e+01 129.016 0.7294 
1 1 1 4  22 31 o 1  5.64569e+01 2.72690e+01 1.65426e+01 326.170 8.33983e-01  -5.58926e-01 0.00000e+00 0.00000e+00 3.82647e+01 326.170 2.17221e+01 326.170 0.4478 
1 1 1 4  23 0  o 15 2.79374e+02 3.61545e+01 1.13704e+02 180.000 -3.14459e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.71354e+02 180.000 2.57650e+02 180.000 0.9963 
1 1 1 4  23 1  o 19 1.38235e+02 2.17906e+01 1.31565e+02 16.461  3.55936e+00  1.05169e+00  0.00000e+00 0.00000e+00 7.35967e+01 16.461  5.79679e+01 196.461 0.8514 
1 1 1 4  23 2  o 7  1.07417e+02 1.79151e+01 7.93219e+01 131.213 -1.17420e+00 1.34067e+00  0.00000e+00 0.00000e+00 4.40814e+01 131.213 3.52405e+01 311.213 0.6586 
1 1 1 4  23 3  o 13 9.34068e+01 1.76212e+01 1.21210e+02 175.074 -2.35163e+00 2.02686e-01  0.00000e+00 0.00000e+00 9.73869e-01 175.074 1.20236e+02 355.074 0.7489 
1 1 1 4  23 4  o 6  7.95577e+01 2.78621e+01 1.57431e+02 25.220  2.61594e+00  1.23208e+00  0.00000e+00 0.00000e+00 4.58397e+01 205.220 2.03271e+02 205.220 0.8016 
1 1 1 4  23 5  o 2  3.86145e+01 1.84406e+01 1.34854e+02 300.426 6.61701e-01  -1.12668e+00 0.00000e+00 0.00000e+00 9.79768e+01 120.426 2.32831e+02 120.426 0.5446 
1 1 1 4  23 6  o 17 1.99901e+02 1.81380e+01 1.02580e+02 252.617 -1.41164e+00 -4.50916e+00 0.00000e+00 0.00000e+00 2.09092e+02 252.617 1.06512e+02 252.617 0.8866 
1 1 1 4  23 7  o 9  1.33229e+02 1.55869e+01 1.11950e+02 246.721 -1.36490e+00 -3.17248e+00 0.00000e+00 0.00000e+00 8.51841e+01 246.721 2.67661e+01 66.721  0.8386 
1 1 1 4  23 8  o 16 3.00896e+02 2.76330e+01 2.27317e+02 54.894  8.53809e+00  1.21456e+01  0.00000e+00 0.00000e+00 2.87311e+02 54.894  5.99936e+01 54.894  0.9657 
1 1 1 4  23 9  o 16 4.54744e+02 1.57868e+01 2.79139e+02 133.252 -2.09901e+01 2.23114e+01  0.00000e+00 0.00000e+00 5.16378e+02 133.252 2.37239e+02 133.252 0.9835 
1 1 1 4  23 10 o 15 8.38480e+01 2.67585e+01 9.37119e+01 294.652 8.37387e-01  -1.82460e+00 0.00000e+00 0.00000e+00 1.10374e+01 294.652 8.26744e+01 114.652 0.6990 
1 1 1 4  23 11 o 14 2.70147e+02 4.92632e+01 2.33894e+02 10.174  1.24093e+01  2.22699e+00  0.00000e+00 0.00000e+00 2.31809e+02 10.174  2.08443e+00 190.174 0.9595 
1 1 1 4  23 12 o 15 7.98055e+01 2.91225e+01 4.85007e+01 358.182 1.15723e+00  -3.67216e-02 0.00000e+00 0.00000e+00 2.35395e+01 358.182 2.49612e+01 178.182 0.4995 
1 1 1 4  23 13 o 6  6.02596e+01 2.77727e+01 1.04507e+02 170.958 -2.11283e+00 3.36215e-01  0.00000e+00 0.00000e+00 2.56721e+01 350.958 1.30179e+02 350.958 0.7194 
1 1 1 4  23 14 o 19 1.20218e+02 1.97344e+01 8.33040e+01 172.170 -3.97534e+00 5.46674e-01  0.00000e+00 0.00000e+00 1.06880e+02 172.170 2.35762e+01 172.170 0.8640 
1 1 1 4  23 15 o 7  7.35726e+01 3.26338e+01 4.41547e+01 278.894 1.63512e-01  -1.04490e+00 0.00000e+00 0.00000e+00 1.91399e+01 278.894 2.50149e+01 98.894  0.4664 
1 1 1 4  23 16 o 5  7.19874e+01 3.20842e+01 9.75738e+01 186.757 -2.82796e+00 -3.35081e-01 0.00000e+00 0.00000e+00 9.22149e+00 186.757 8.83523e+01 6.757   0.7981 
1 1 1 4  23 17 o 6  1.25956e+02 3.90040e+01 1.43382e+02 323.301 4.76289e+00  -3.54999e+00 0.00000e+00 0.00000e+00 7.18020e+01 323.301 7.15800e+01 143.301 0.9114 
1 1 1 4  23 18 o 9  7.37831e+01 3.09354e+01 9.84054e+01 42.187  2.45434e+00  2.22447e+00  0.00000e+00 0.00000e+00 1.74961e+01 42.187  8.09093e+01 222.187 0.8307 
1 1 1 4  23 19 o 3  7.93607e+01 3.15225e+01 9.59262e+01 100.891 -6.96787e-01 3.62145e+00  0.00000e+00 0.00000e+00 3.28861e+01 100.891 6.30401e+01 280.891 0.8503 
1 1 1 4  23 20 f 0  8.73633e+01 2.87992e+01 2.76932e+01 221.777 -8.93989e-01 -7.98677e-01 0.00000e+00 0.00000e+00 5.85991e+01 221.777 3.09059e+01 221.777 0.5124 
1 1 1 4  23 21 o 3  6.81347e+01 2.65212e+01 1.81845e+01 267.960 -2.77220e-02 -7.78124e-01 0.00000e+00 0.00000e+00 2.99217e+01 267.960 1.17372e+01 267.960 0.3625 
1 1 1 4  23 22 o 14 7.36424e+01 2.74964e+01 1.07141e+01 170.633 -5.36183e-01 8.84499e-02  0.00000e+00 0.00000e+00 2.72971e+01 170.633 1.65830e+01 170.633 0.2622 
1 1 1 4  23 23 o 17 6.94582e+01 2.74999e+01 4.97935e+01 169.100 -2.59508e+00 4.99749e-01  0.00000e+00 0.00000e+00 5.80492e+01 169.100 8.25564e+00 169.100 0.7797 
1 1 1 4  23 24 o 3  3.91916e+01 1.91595e+01 2.74422e+01 22.411  1.22786e+00  5.06357e-01  0.00000e+00 0.00000e+00 1.60497e+01 22.411  1.13924e+01 202.411 0.5507 
1 1 1 4  23 25 o 14 4.85268e+01 2.27784e+01 4.32682e+00 87.608  9.56060e-03  2.28843e-01  0.00000e+00 0.00000e+00 6.93747e+00 87.608  2.61065e+00 87.608  0.1138 
1 1 1 4  23 26 o 14 5.13900e+01 2.43492e+01 2.96869e+01 331.675 1.38750e+00  -7.47872e-01 0.00000e+00 0.00000e+00 3.55655e+01 331.675 5.87862e+00 331.675 0.6144 
1 1 1 4  23 27 o 16 5.38991e+01 2.54601e+01 2.21251e+01 202.367 -1.21216e+00 -4.98788e-01 0.00000e+00 0.00000e+00 3.94833e+01 202.367 1.73582e+01 202.367 0.5458 
1 1 1 4  23 28 o 1  7.69882e+01 3.21591e+01 2.56379e+01 161.536 -1.42242e+00 4.74956e-01  0.00000e+00 0.00000e+00 7.18121e+01 161.536 4.61742e+01 161.536 0.5960 
1 1 1 4  23 29 o 6  5.53584e+01 2.62083e+01 4.42522e+01 349.960 2.74422e+00  -4.85835e-01 0.00000e+00 0.00000e+00 5.03129e+01 349.960 6.06068e+00 349.960 0.7929 
1 1 1 4  23 30 o 9  5.59068e+01 2.83771e+01 2.20925e+01 302.182 6.55854e-01  -1.04222e+00 0.00000e+00 0.00000e+00 4.17714e+01 302.182 1.96788e+01 302.182 0.5224 
1 1 1 4  24 0  o 16 9.63782e+01 3.13160e+01 8.14669e+00 0.000   9.15736e-02  0.00000e+00  0.00000e+00 0.00000e+00 7.58009e+00 0.000   5.66594e-01 180.000 0.0913 
1 1 1 4  24 1  o 15 2.10158e+02 3.18966e+01 1.86267e+02 88.079  2.75597e-01  8.21579e+00  0.00000e+00 0.00000e+00 1.65711e+02 88.079  2.05558e+01 268.079 0.9370 
1 1 1 4  24 2  f 0  1.02942e+02 1.90426e+01 1.68759e+02 312.723 2.81397e+00  -3.04703e+00 0.00000e+00 0.00000e+00 8.75392e+00 132.723 1.77513e+02 132.723 0.8690 
1 1 1 4  24 3  o 18 2.15770e+02 1.41331e+01 1.24411e+02 324.526 5.38192e+00  -3.83516e+00 0.00000e+00 0.00000e+00 2.31453e+02 324.526 1.07042e+02 324.526 0.9209 
1 1 1 4  24 4  f 0  3.18585e+02 4.47548e+01 1.79738e+02 120.842 -5.14454e+00 8.61566e+00  0.00000e+00 0.00000e+00 3.62570e+02 120.842 1.82832e+02 120.842 0.9488 
1 1 1 4  24 5  o 10 2.47949e+02 2.42482e+01 1.80993e+02 258.313 -2.06619e+00 -9.98891e+00 0.00000e+00 0.00000e+00 2.42417e+02 258.313 6.14242e+01 258.313 0.9496 
1 1 1 4  24 6  o 7  3.65330e+02 1.89934e+01 2.35054e+02 221.129 -1.52688e+01 -1.33335e+01 0.00000e+00 0.00000e+00 4.07250e+02 221.129 1.72196e+02 221.129 0.9750 
1 1 1 4  24 7  o 12 9.49652e+01 2.69417e+01 1.15715e+02 100.038 -4.90790e-01 2.77255e+00  0.00000e+00 0.00000e+00 2.09335e+01 100.038 9.47816e+01 280.038 0.7954 
1 1 1 4  24 8  o 8  1.43987e+02 5.51597e+01 1.88022e+02 88.037  1.66916e-01  4.87062e+00  0.00000e+00 0.00000e+00 4.47884e+01 88.037  1.43234e+02 268.037 0.8904 
1 1 1 4  24 9  o 11 1.58376e+02 4.04060e+01 1.37905e+02 276.069 5.74822e-01  -5.40629e+00 0.00000e+00 0.00000e+00 1.22809e+02 276.069 1.50962e+01 96.069  0.9026 
1 1 1 4  24 10 o 12 2.11198e+02 3.23749e+01 1.33593e+02 339.562 8.39180e+00  -3.12717e+00 0.00000e+00 0.00000e+00 2.31140e+02 339.562 9.75470e+01 339.562 0.9424 
1 1 1 4  24 11 o 3  7.71671e+01 2.73096e+01 7.06110e+01 8.363   1.74528e+00  2.56564e-01  0.00000e+00 0.00000e+00 2.25002e+01 8.363   4.81108e+01 188.363 0.6550 
1 1 1 4  24 12 o 16 5.62174e+01 2.56089e+01 4.74589e+01 184.372 -9.75881e-01 -7.46161e-02 0.00000e+00 0.00000e+00 1.74877e+00 4.372   4.92076e+01 4.372   0.4388 
1 1 1 4  24 13 o 19 5.44732e+01 2.59654e+01 7.53071e+01 207.066 -1.35718e+00 -6.93494e-01 0.00000e+00 0.00000e+00 1.41546e+01 27.066  8.94617e+01 27.066  0.6020 
1 1 1 4  24 14 o 6  7.46956e+01 3.20547e+01 3.74449e+01 202.279 -1.05591e+00 -4.32615e-01 0.00000e+00 0.00000e+00 3.18541e+01 202.279 5.59079e+00 22.279  0.4942 
1 1 1 4  24 15 o 6  8.74898e+01 3.56657e+01 8.14293e+01 84.596  2.44471e-01  2.58420e+00  0.00000e+00 0.00000e+00 4.68082e+01 84.596  3.46211e+01 264.596 0.7750 
1 1 1 4  24 16 o 10 7.32939e+01 3.12390e+01 6.89652e+01 260.043 -3.98816e-01 -2.27175e+00 0.00000e+00 0.00000e+00 3.47231e+01 260.043 3.42421e+01 80.043  0.7422 
1 1 1 4  24 17 o 12 9.10720e+01 2.30885e+01 5.22289e+01 6.262   2.67533e+00  2.93548e-01  0.00000e+00 0.00000e+00 8.50560e+01 6.262   3.28271e+01 6.262   0.7843 
1 1 1 4  24 18 f 0  8.90729e+01 2.41774e+01 6.30078e+01 69.184  1.22745e+00  3.22855e+00  0.00000e+00 0.00000e+00 8.18427e+01 69.184  1.88349e+01 69.184  0.8387 
1 1 1 4  24 19 o 8  7.37204e+01 2.46010e+01 9.56445e+01 157.882 -3.77465e+00 1.53411e+00  0.00000e+00 0.00000e+00 2.93549e+01 157.882 6.62896e+01 337.882 0.8663 
1 1 1 4  24 20 o 18 6.67413e+01 2.65008e+01 4.77680e+01 261.421 -3.15880e-01 -2.09376e+00 0.00000e+00 0.00000e+00 4.67051e+01 261.421 1.06293e+00 81.421  0.7161 
1 1 1 4  24 21 o 9  3.96843e+01 1.91263e+01 1.84528e+01 308.357 4.25251e-01  -5.37359e-01 0.00000e+00 0.00000e+00 7.22364e+00 308.357 1.12291e+01 128.357 0.3240 
1 1 1 4  24 22 o 4  5.38090e+01 2.38733e+01 2.74488e+00 154.758 -1.18544e-01 5.58895e-02  0.00000e+00 0.00000e+00 4.35856e+00 154.758 1.61368e+00 154.758 0.0654 
1 1 1 4  24 23 o 3  4.20790e+01 2.01757e+01 1.30158e+01 12.106  6.66247e-01  1.42908e-01  0.00000e+00 0.00000e+00 1.46805e+01 12.106  1.66463e+00 12.106  0.3223 
1 1 1 4  24 24 o 9  6.47475e+01 2.75269e+01 4.67219e+01 60.710  1.26857e+00  2.26152e+00  0.00000e+00 0.00000e+00 5.69278e+01 60.710  1.02059e+01 60.710  0.7747 
1 1 1 4  24 25 o 6  4.33431e+01 2.10860e+01 3.24039e+01 195.855 -1.70287e+00 -4.83633e-01 0.00000e+00 0.00000e+00 2.70941e+01 195.855 5.30979e+00 15.855  0.6562 
1 1 1 4  24 26 o 19 6.47878e+01 2.82289e+01 6.21655e+00 283.248 8.60426e-02  -3.65455e-01 0.00000e+00 0.00000e+00 1.91118e+01 283.248 1.28952e+01 283.248 0.1845 
1 1 1 4  24 27 o 16 7.49961e+01 3.11908e+01 2.33112e+01 272.769 6.70312e-02  -1.38570e+00 0.00000e+00 0.00000e+00 6.80110e+01 272.769 4.46998e+01 272.769 0.5670 
1 1 1 4  24 28 o 1  5.41332e+01 2.56887e+01 2.16917e+01 195.120 -1.32441e+00 -3.57856e-01 0.00000e+00 0.00000e+00 4.46535e+01 195.120 2.29618e+01 195.120 0.5628 
1 1 1 4  24 29 o 16 5.08466e+01 2.46956e+01 1.68619e+01 85.801  7.90067e-02  1.07600e+00  0.00000e+00 0.00000e+00 3.63398e+01 85.801  1.94779e+01 85.801  0.4736 
1 1 1 4  25 1  o 4  9.05721e+01 2.76494e+01 2.87139e+01 336.079 6.04363e-01  -2.68087e-01 0.00000e+00 0.00000e+00 2.34199e+01 336.079 5.29401e+00 156.079 0.3137 
1 1 1 4  25 2  o 5  1.45494e+02 2.67390e+01 6.71347e+01 354.630 2.85418e+00  -2.68298e-01 0.00000e+00 0.00000e+00 1.46474e+02 354.630 7.93396e+01 354.630 0.7996 
1 1 1 4  25 3  o 17 7.22188e+01 2.83354e+01 8.36261e+01 311.170 1.13557e+00  -1.29854e+00 0.00000e+00 0.00000e+00 2.27886e+00 311.170 8.13472e+01 131.170 0.6470 
1 1 1 4  25 4  o 2  1.21445e+02 3.90759e+01 6.79799e+01 234.209 -1.15343e+00 -1.59983e+00 0.00000e+00 0.00000e+00 8.70509e+01 234.209 1.90711e+01 234.209 0.6932 
1 1 1 4  25 5  o 3  1.07656e+02 3.12083e+01 3.15250e+01 351.708 9.88216e-01  -1.44025e-01 0.00000e+00 0.00000e+00 5.70831e+01 351.708 2.55581e+01 351.708 0.4459 
1 1 1 4  25 6  o 7  2.22677e+02 2.03996e+01 2.00120e+02 200.260 -1.43760e+01 -5.30635e+00 0.00000e+00 0.00000e+00 1.98355e+02 200.260 1.76496e+00 20.260  0.9668 
1 1 1 4  25 7  o 14 1.93256e+02 5.46862e+01 1.90827e+02 103.404 -1.72681e+00 7.24616e+00  0.00000e+00 0.00000e+00 1.43011e+02 103.404 4.78162e+01 283.404 0.9302 
1 1 1 4  25 8  o 5  8.61057e+01 2.71620e+01 6.37696e+01 45.062  1.26745e+00  1.27020e+00  0.00000e+00 0.00000e+00 4.23162e+01 45.062  2.14534e+01 225.062 0.6609 
1 1 1 4  25 9  o 13 1.23845e+02 1.60535e+01 9.83698e+01 330.637 4.56851e+00  -2.57035e+00 0.00000e+00 0.00000e+00 1.09990e+02 330.637 1.16206e+01 330.637 0.8987 
1 1 1 4  25 10 o 4  3.10995e+01 1.43672e+01 5.08550e+01 112.542 -2.73866e-01 6.59808e-01  0.00000e+00 0.00000e+00 3.11881e+01 292.542 8.20431e+01 292.542 0.3362 
1 1 1 4  25 11 o 15 5.74836e+01 2.43949e+01 9.16698e+01 139.511 -1.86779e+00 1.59464e+00  0.00000e+00 0.00000e+00 9.04274e+00 319.511 1.00713e+02 319.511 0.7601 
1 1 1 4  25 12 o 12 5.35934e+01 2.00954e+01 6.24201e+01 204.430 -1.63963e+00 -7.44791e-01 0.00000e+00 0.00000e+00 5.08294e+00 204.430 5.73372e+01 24.430  0.6622 
1 1 1 4  25 13 o 13 6.04470e+01 2.78839e+01 3.28770e+01 305.139 5.04318e-01  -7.16529e-01 0.00000e+00 0.00000e+00 1.34972e+01 305.139 1.93798e+01 125.139 0.4008 
1 1 1 4  25 14 o 14 7.43381e+01 3.16544e+01 5.65140e+01 12.568  1.60124e+00  3.56974e-01  0.00000e+00 0.00000e+00 3.35974e+01 12.568  2.29166e+01 192.568 0.6290 
1 1 1 4  25 15 o 16 6.40956e+01 2.85665e+01 1.41268e+01 221.948 -3.32293e-01 -2.98653e-01 0.00000e+00 0.00000e+00 1.29979e+01 221.948 1.12891e+00 41.948  0.2180 
1 1 1 4  25 16 o 8  5.58819e+01 2.65920e+01 5.68820e+01 21.030  1.71452e+00  6.59185e-01  0.00000e+00 0.00000e+00 1.62715e+01 21.030  4.06105e+01 201.030 0.6691 
1 1 1 4  25 17 o 3  6.58320e+01 2.81487e+01 4.98827e+01 124.408 -9.40986e-01 1.37384e+00  0.00000e+00 0.00000e+00 3.25118e+01 124.408 1.73708e+01 304.408 0.6344 
1 1 1 4  25 18 o 8  4.25294e+01 2.09466e+01 2.52067e+01 67.392  3.12403e-01  7.50220e-01  0.00000e+00 0.00000e+00 6.63014e+00 67.392  1.85766e+01 247.392 0.3761 
1 1 1 4  25 19 o 19 5.83308e+01 2.33655e+01 4.40994e+01 291.914 7.37306e-01  -1.83282e+00 0.00000e+00 0.00000e+00 3.71960e+01 291.914 6.90344e+00 111.914 0.6937 
1 1 1 4  25 20 f 0  5.96364e+01 2.51783e+01 2.52811e+01 220.269 -9.26987e-01 -7.85273e-01 0.00000e+00 0.00000e+00 3.73180e+01 220.269 1.20368e+01 220.269 0.5174 
1 1 1 4  25 21 o 2  8.48001e+01 2.88307e+01 3.73300e+01 146.407 -1.93857e+00 1.28765e+00  0.00000e+00 0.00000e+00 9.21480e+01 146.407 5.48180e+01 146.407 0.7448 
1 1 1 4  25 22 o 9  6.55929e+01 2.62534e+01 1.46721e+01 356.658 8.73754e-01  -5.10268e-02 0.00000e+00 0.00000e+00 3.97598e+01 356.658 2.50876e+01 356.658 0.4004 
1 1 1 4  25 23 o 14 5.63102e+01 2.49483e+01 3.64998e+01 339.209 1.90428e+00  -7.23010e-01 0.00000e+00 0.00000e+00 4.65589e+01 339.209 1.00590e+01 339.209 0.7037 
1 1 1 4  25 24 o 6  5.66420e+01 2.57581e+01 4.87428e+01 97.178  -3.35266e-01 2.66226e+00  0.00000e+00 0.00000e+00 4.53883e+01 97.178  3.35452e+00 277.178 0.7835 
1 1 1 4  25 25 o 12 5.77200e+01 2.60923e+01 3.84544e+01 252.266 -7.06382e-01 -2.20886e+00 0.00000e+00 0.00000e+00 5.37342e+01 252.266 1.52797e+01 252.266 0.7438 
1 1 1 4  25 26 o 19 4.64105e+01 2.24987e+01 2.27662e+01 232.435 -8.43463e-01 -1.09663e+00 0.00000e+00 0.00000e+00 3.43686e+01 232.435 1.16024e+01 232.435 0.5660 
1 1 1 4  25 27 o 11 5.34581e+01 2.52511e+01 3.46213e+01 73.066  6.42796e-01  2.11121e+00  0.00000e+00 0.00000e+00 5.12840e+01 73.066  1.66627e+01 73.066  0.7290 
1 1 1 4  25 28 o 7  4.42233e+01 2.18637e+01 2.37669e+01 351.783 1.59102e+00  -2.29760e-01 0.00000e+00 0.00000e+00 3.76771e+01 351.783 1.39102e+01 351.783 0.6216 
1 1 1 4  26 0  o 7  7.07723e+01 4.72522e+01 1.66148e+02 0.000   1.82796e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.94785e+01 180.000 2.05627e+02 180.000 0.9496 
1 1 1 4  26 1  o 10 1.12379e+02 4.76036e+01 1.88291e+02 319.994 3.76748e+00  -3.16196e+00 0.00000e+00 0.00000e+00 5.74457e-01 319.994 1.87716e+02 139.994 0.8915 
1 1 1 4  26 2  o 12 7.50417e+01 2.87980e+01 7.96690e+01 225.652 -1.33805e+00 -1.36885e+00 0.00000e+00 0.00000e+00 1.70527e+01 225.652 6.26164e+01 45.652  0.6832 
1 1 1 4  26 3  o 16 7.79514e+01 3.01359e+01 1.74330e+02 170.146 -4.17354e+00 7.24962e-01  0.00000e+00 0.00000e+00 4.59220e+01 350.146 2.20252e+02 350.146 0.8720 
1 1 1 4  26 4  o 3  1.55959e+02 3.81024e+01 2.31214e+02 240.358 -4.77261e+00 -8.38685e+00 0.00000e+00 0.00000e+00 4.81810e+01 240.358 1.83033e+02 60.358  0.9467 
1 1 1 4  26 5  o 11 1.06797e+02 2.11058e+01 6.61694e+01 90.149  -7.39949e-03 2.84485e+00  0.00000e+00 0.00000e+00 9.54391e+01 90.149  2.92697e+01 90.149  0.7978 
1 1 1 4  26 6  o 8  1.20280e+02 3.09494e+01 2.15245e+02 59.574  4.38520e+00  7.46668e+00  0.00000e+00 0.00000e+00 1.24203e-01 239.574 2.15369e+02 239.574 0.9404 
1 1 1 4  26 7  o 6  5.69594e+01 2.51554e+01 3.23462e+01 34.289  5.83184e-01  3.97662e-01  0.00000e+00 0.00000e+00 3.80734e+00 34.289  2.85389e+01 214.289 0.3326 
1 1 1 4  26 8  o 7  4.40136e+01 1.81168e+01 5.71234e+01 211.740 -1.13746e+00 -7.03609e-01 0.00000e+00 0.00000e+00 1.04760e+01 31.740  6.75994e+01 31.740  0.5533 
1 1 1 4  26 9  o 17 9.81182e+01 1.91651e+01 6.13955e+01 52.039  2.05359e+00  2.63214e+00  0.00000e+00 0.00000e+00 9.56786e+01 52.039  3.42831e+01 52.039  0.8322 
1 1 1 4  26 10 o 2  1.25505e+02 1.65252e+01 7.21226e+01 1.420   5.14494e+00  1.27569e-01  0.00000e+00 0.00000e+00 1.45400e+02 1.420   7.32778e+01 1.420   0.8967 
1 1 1 4  26 11 o 9  6.82113e+01 2.77798e+01 4.31038e+01 173.372 -1.26484e+00 1.46975e-01  0.00000e+00 0.00000e+00 2.77965e+01 173.372 1.53073e+01 353.372 0.5349 
1 1 1 4  26 12 o 1  5.50615e+01 2.52670e+01 6.33966e+01 267.638 -7.74355e-02 -1.87753e+00 0.00000e+00 0.00000e+00 9.44731e+00 267.638 5.39493e+01 87.638  0.6769 
1 1 1 4  26 13 o 3  7.50309e+01 2.30628e+01 3.64869e+01 330.935 1.37169e+00  -7.62362e-01 0.00000e+00 0.00000e+00 5.39463e+01 330.935 1.74594e+01 330.935 0.6128 
1 1 1 4  26 14 o 16 5.24851e+01 2.46823e+01 3.25157e+01 119.246 -4.95476e-01 8.84889e-01  0.00000e+00 0.00000e+00 1.43987e+01 119.246 1.81169e+01 299.246 0.4514 
1 1 1 4  26 15 o 11 4.81767e+01 2.29650e+01 5.06178e+01 323.387 1.15248e+00  -8.56320e-01 0.00000e+00 0.00000e+00 5.10782e+00 323.387 4.55100e+01 143.387 0.5799 
1 1 1 4  26 16 o 9  6.99067e+01 2.30059e+01 3.32735e+01 20.497  1.55686e+00  5.82000e-01  0.00000e+00 0.00000e+00 5.57925e+01 20.497  2.25190e+01 20.497  0.6337 
1 1 1 4  26 17 o 19 6.08663e+01 2.70820e+01 5.09071e+01 219.478 -1.55583e+00 -1.28153e+00 0.00000e+00 0.00000e+00 3.55076e+01 219.478 1.53995e+01 39.478  0.7003 
1 1 1 4  26 18 o 19 7.06360e+01 2.41442e+01 6.48730e+01 183.626 -3.56723e+00 -2.26035e-01 0.00000e+00 0.00000e+00 5.71860e+01 183.626 7.68701e+00 3.626   0.8449 
1 1 1 4  26 19 o 10 8.26531e+01 2.54676e+01 3.82783e+01 61.922  1.23472e+00  2.31457e+00  0.00000e+00 0.00000e+00 9.44316e+01 61.922  5.61532e+01 61.922  0.7778 
1 1 1 4  26 20 o 12 6.01109e+01 2.47647e+01 3.79737e+01 358.955 2.14782e+00  -3.91921e-02 0.00000e+00 0.00000e+00 5.23397e+01 358.955 1.43659e+01 358.955 0.7207 
1 1 1 4  26 21 o 17 4.10175e+01 1.97400e+01 1.93534e+01 161.062 -9.26368e-01 3.17861e-01  0.00000e+00 0.00000e+00 1.85803e+01 161.062 7.73134e-01 341.062 0.4390 
1 1 1 4  26 22 o 19 8.44043e+01 2.95624e+01 4.53909e+01 167.707 -2.91382e+00 6.34948e-01  0.00000e+00 0.00000e+00 9.99521e+01 167.707 5.45612e+01 167.707 0.8087 
1 1 1 4  26 23 o 14 5.77459e+01 2.56484e+01 1.74403e+01 17.836  9.79334e-01  3.15101e-01  0.00000e+00 0.00000e+00 3.93336e+01 17.836  2.18933e+01 17.836  0.4565 
1 1 1 4  26 24 o 19 3.97492e+01 1.95231e+01 2.45102e+01 235.703 -8.45727e-01 -1.23993e+00 0.00000e+00 0.00000e+00 2.71519e+01 235.703 2.64174e+00 235.703 0.5964 
1 1 1 4  26 25 o 19 7.21676e+01 2.96225e+01 2.90799e+01 259.463 -3.25456e-01 -1.74972e+00 0.00000e+00 0.00000e+00 7.57110e+01 259.463 4.66312e+01 259.463 0.6581 
1 1 1 4  26 26 o 12 5.68273e+01 2.61845e+01 1.37601e+01 23.716  7.94911e-01  3.49207e-01  0.00000e+00 0.00000e+00 3.67606e+01 23.716  2.30005e+01 23.716  0.3978 
1 1 1 4  26 27 o 9  5.48010e+01 2.58601e+01 6.66801e+00 88.804  8.70717e-03  4.17215e-01  0.00000e+00 0.00000e+00 1.86846e+01 88.804  1.20166e+01 88.804  0.2042 
1 1 1 4  27 0  o 19 3.59300e+01 2.41248e+01 1.03558e+02 180.000 -1.01982e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.99340e+01 0.000   1.53492e+02 0.000   0.7698 
1 1 1 4  27 1  o 16 8.60236e+01 2.42565e+01 1.48866e+02 209.429 -5.27655e+00 -2.97674e+00 0.00000e+00 0.00000e+00 3.48549e+00 209.429 1.45381e+02 29.429  0.9133 
1 1 1 4  27 2  o 6  6.80468e+01 2.80128e+01 6.60402e+01 337.119 1.79378e+00  -7.57030e-01 0.00000e+00 0.00000e+00 2.49330e+01 337.119 4.11072e+01 157.119 0.6889 
1 1 1 4  27 3  o 11 6.95263e+01 2.27304e+01 8.69657e+01 121.678 -1.54575e+00 2.50494e+00  0.00000e+00 0.00000e+00 2.18888e+01 121.678 6.50769e+01 301.678 0.8057 
1 1 1 4  27 4  o 10 3.29554e+01 1.54316e+01 5.70170e+01 242.978 -4.76487e-01 -9.34259e-01 0.00000e+00 0.00000e+00 2.72893e+01 62.978  8.43063e+01 62.978  0.4634 
1 1 1 4  27 5  o 17 4.76000e+01 2.27807e+01 6.74746e+01 138.623 -1.23979e+00 1.09215e+00  0.00000e+00 0.00000e+00 8.82048e+00 318.623 7.62951e+01 318.623 0.6316 
1 1 1 4  27 6  o 17 5.45482e+01 2.47753e+01 8.27304e+01 96.956  -2.66729e-01 2.18620e+00  0.00000e+00 0.00000e+00 4.99838e+00 276.956 8.77288e+01 276.956 0.7284 
1 1 1 4  27 7  o 13 5.41349e+01 2.44761e+01 1.11915e+02 354.310 2.90711e+00  -2.89659e-01 0.00000e+00 0.00000e+00 2.64804e+01 174.310 1.38395e+02 174.310 0.8040 
1 1 1 4  27 8  o 16 4.02405e+01 1.95439e+01 5.11848e+01 222.446 -7.91734e-01 -7.24126e-01 0.00000e+00 0.00000e+00 1.37900e+01 42.446  6.49748e+01 42.446  0.4716 
1 1 1 4  27 9  o 13 1.00182e+02 1.94027e+01 8.15354e+01 110.864 -1.83088e+00 4.80364e+00  0.00000e+00 0.00000e+00 9.61952e+01 110.864 1.46598e+01 110.864 0.8965 
1 1 1 4  27 10 o 6  9.11976e+01 2.15313e+01 1.04628e+02 342.875 5.49042e+00  -1.69165e+00 0.00000e+00 0.00000e+00 6.00547e+01 342.875 4.45736e+01 162.875 0.9082 
1 1 1 4  27 11 o 14 9.61014e+01 2.18113e+01 8.61941e+01 267.497 -2.36069e-01 -5.39987e+00 0.00000e+00 0.00000e+00 8.70729e+01 267.497 8.78773e-01 267.497 0.9020 
1 1 1 4  27 12 o 3  9.28029e+01 2.09870e+01 3.47331e+01 78.380  4.44647e-01  2.16228e+00  0.00000e+00 0.00000e+00 1.01296e+02 78.380  6.65628e+01 78.380  0.7291 
1 1 1 4  27 13 o 16 4.12033e+01 2.01697e+01 7.26241e+01 161.636 -1.80635e+00 5.99647e-01  0.00000e+00 0.00000e+00 1.58350e+01 341.636 8.84590e+01 341.636 0.6812 
1 1 1 4  27 14 o 9  4.75999e+01 2.21311e+01 3.64267e+01 270.319 7.12965e-03  -1.27898e+00 0.00000e+00 0.00000e+00 1.56000e+01 270.319 2.08268e+01 90.319  0.5366 
1 1 1 4  27 15 o 9  4.51560e+01 2.13003e+01 2.69251e+01 59.995  4.87192e-01  8.43672e-01  0.00000e+00 0.00000e+00 1.35840e+01 59.995  1.33411e+01 239.995 0.4372 
1 1 1 4  27 16 o 11 3.84516e+01 1.89987e+01 5.59126e+01 153.907 -1.84219e+00 9.02202e-01  0.00000e+00 0.00000e+00 2.29997e-01 153.907 5.56826e+01 333.907 0.7060 
1 1 1 4  27 17 o 16 6.59149e+01 2.83940e+01 4.50581e+01 15.644  2.00561e+00  5.61641e-01  0.00000e+00 0.00000e+00 5.26602e+01 15.644  7.60212e+00 15.644  0.7109 
1 1 1 4  27 18 o 10 5.58913e+01 2.61282e+01 2.98894e+01 5.669   1.36898e+00  1.35897e-01  0.00000e+00 0.00000e+00 3.64145e+01 5.669   6.52508e+00 5.669   0.5639 
1 1 1 4  27 19 o 3  5.30540e+01 2.21835e+01 2.27636e+01 207.754 -1.19039e+00 -6.26405e-01 0.00000e+00 0.00000e+00 3.98160e+01 207.754 1.70524e+01 207.754 0.5555 
1 1 1 4  27 20 o 11 6.71521e+01 2.57795e+01 2.29505e+01 94.200  -1.04280e-01 1.41993e+00  0.00000e+00 0.00000e+00 6.01023e+01 94.200  3.71518e+01 94.200  0.5767 
1 1 1 4  27 21 o 9  6.90587e+01 2.78416e+01 2.61653e+01 72.250  4.67755e-01  1.46126e+00  0.00000e+00 0.00000e+00 6.42912e+01 72.250  3.81259e+01 72.250  0.6045 
1 1 1 4  27 22 f 0  5.70796e+01 2.48815e+01 1.82589e+01 289.825 3.73409e-01  -1.03576e+00 0.00000e+00 0.00000e+00 4.18858e+01 289.825 2.36269e+01 289.825 0.4810 
1 1 1 4  27 23 o 16 6.17442e+01 2.66818e+01 2.27457e+01 105.828 -3.74206e-01 1.32000e+00  0.00000e+00 0.00000e+00 5.42496e+01 105.828 3.15039e+01 105.828 0.5629 
1 1 1 4  27 24 o 16 5.37270e+01 2.46160e+01 2.62773e+00 204.734 -1.51071e-01 -6.95940e-02 0.00000e+00 0.00000e+00 7.35493e+00 204.734 4.72719e+00 204.734 0.0829 
1 1 1 4  27 25 o 11 5.77698e+01 2.62180e+01 1.41655e+01 263.854 -9.56816e-02 -8.88501e-01 0.00000e+00 0.00000e+00 3.92588e+01 263.854 2.50933e+01 263.854 0.4074 
1 1 1 4  27 26 o 9  4.72010e+01 2.28353e+01 1.32567e+01 129.871 -5.59917e-01 6.70334e-01  0.00000e+00 0.00000e+00 3.01242e+01 129.871 1.68675e+01 129.871 0.3997 
1 1 1 4  28 0  o 6  3.51877e+01 2.38994e+01 1.52229e+01 0.000   1.48187e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.88815e+00 180.000 2.01111e+01 180.000 0.1471 
1 1 1 4  28 1  o 1  9.42735e+01 3.93994e+01 1.69135e+02 183.414 -5.17912e+00 -3.08925e-01 0.00000e+00 0.00000e+00 1.56220e-01 3.414   1.69292e+02 3.414   0.8976 
1 1 1 4  28 2  o 14 6.78846e+01 2.69768e+01 9.25618e+01 166.035 -2.70599e+00 6.72910e-01  0.00000e+00 0.00000e+00 1.50269e+01 166.035 7.75349e+01 346.035 0.7930 
1 1 1 4  28 3  o 14 4.53405e+01 1.95425e+01 1.63267e+01 189.873 -3.81176e-01 -6.63398e-02 0.00000e+00 0.00000e+00 9.04227e-01 189.873 1.54225e+01 9.873   0.1899 
1 1 1 4  28 4  o 6  8.88368e+01 3.07101e+01 2.02674e+02 28.335  7.39038e+00  3.98518e+00  0.00000e+00 0.00000e+00 3.55639e+01 208.335 2.38238e+02 208.335 0.9384 
1 1 1 4  28 5  o 9  6.00790e+01 2.21000e+01 4.79856e+01 10.958  1.66829e+00  3.23009e-01  0.00000e+00 0.00000e+00 2.94677e+01 10.958  1.85179e+01 190.958 0.6417 
1 1 1 4  28 6  o 8  6.66492e+01 2.72313e+01 5.54698e+01 237.916 -1.01716e+00 -1.62249e+00 0.00000e+00 0.00000e+00 3.62820e+01 237.916 1.91878e+01 57.916  0.6833 
1 1 1 4  28 7  o 14 4.19877e+01 2.03027e+01 9.35548e+01 89.195  3.43000e-02  2.44021e+00  0.00000e+00 0.00000e+00 2.91931e+01 269.195 1.22748e+02 269.195 0.7584 
1 1 1 4  28 8  o 16 4.39744e+01 2.10482e+01 7.32292e+01 7.357   2.13422e+00  2.75564e-01  0.00000e+00 0.00000e+00 8.88107e+00 187.357 8.21102e+01 187.357 0.7212 
1 1 1 4  28 9  o 7  8.13714e+01 2.93469e+01 9.85083e+01 273.601 2.67600e-01  -4.25170e+00 0.00000e+00 0.00000e+00 4.62138e+01 273.601 5.22945e+01 93.601  0.8728 
1 1 1 4  28 10 o 19 7.36367e+01 2.25623e+01 8.70337e+01 170.987 -3.80654e+00 6.03801e-01  0.00000e+00 0.00000e+00 4.22757e+01 170.987 4.47580e+01 350.987 0.8577 
1 1 1 4  28 11 o 2  4.45638e+01 1.94345e+01 2.83125e+01 156.557 -7.87072e-01 3.41299e-01  0.00000e+00 0.00000e+00 7.80772e+00 156.557 2.05047e+01 336.557 0.3938 
1 1 1 4  28 12 o 1  4.38150e+01 1.83871e+01 2.55560e+01 213.023 -7.82063e-01 -5.08326e-01 0.00000e+00 0.00000e+00 1.27286e+01 213.023 1.28275e+01 33.023  0.4221 
1 1 1 4  28 13 o 11 5.99202e+01 2.03075e+01 3.05862e+01 12.873  1.48326e+00  3.38965e-01  0.00000e+00 0.00000e+00 4.44913e+01 12.873  1.39050e+01 12.873  0.6014 
1 1 1 4  28 14 o 10 5.77076e+01 2.13603e+01 7.99638e+01 332.210 3.56366e+00  -1.87811e+00 0.00000e+00 0.00000e+00 2.46955e+01 332.210 5.52683e+01 152.210 0.8646 
1 1 1 4  28 15 o 4  5.90667e+01 2.55786e+01 9.48263e+00 126.555 -2.62946e-01 3.54644e-01  0.00000e+00 0.00000e+00 1.74182e+01 126.555 7.93560e+00 126.555 0.2155 
1 1 1 4  28 16 o 10 5.88452e+01 2.64984e+01 1.86200e+01 178.152 -8.85812e-01 2.85734e-02  0.00000e+00 0.00000e+00 3.20891e+01 178.152 1.34690e+01 178.152 0.4046 
1 1 1 4  28 17 o 8  5.81398e+01 2.64724e+01 1.22888e+01 35.490  5.18730e-01  3.69868e-01  0.00000e+00 0.00000e+00 2.55913e+01 35.490  1.33025e+01 35.490  0.3034 
1 1 1 4  28 18 o 10 7.79227e+01 3.19195e+01 5.40627e+01 73.549  7.98256e-01  2.70329e+00  0.00000e+00 0.00000e+00 8.02521e+01 73.549  2.61893e+01 73.549  0.7956 
1 1 1 4  28 19 f 0  7.63231e+01 2.61988e+01 4.03610e+01 257.838 -5.92298e-01 -2.74837e+00 0.00000e+00 0.00000e+00 9.23276e+01 257.838 5.19667e+01 257.838 0.7950 
1 1 1 4  28 20 o 9  5.44401e+01 2.31816e+01 4.07044e+01 218.003 -1.92479e+00 -1.50397e+00 0.00000e+00 0.00000e+00 5.04992e+01 218.003 9.79483e+00 218.003 0.7586 
1 1 1 4  28 21 o 18 4.61686e+01 2.11011e+01 1.44211e+01 46.327  6.43666e-01  6.74204e-01  0.00000e+00 0.00000e+00 2.90337e+01 46.327  1.46126e+01 46.327  0.4218 
1 1 1 4  28 22 o 13 6.55406e+01 2.68335e+01 3.60462e+01 328.205 1.97506e+00  -1.22437e+00 0.00000e+00 0.00000e+00 7.40015e+01 328.205 3.79553e+01 328.205 0.7444 
1 1 1 4  28 23 o 1  5.61602e+01 2.52495e+01 1.25864e+01 157.672 -7.24933e-01 2.97730e-01  0.00000e+00 0.00000e+00 3.41207e+01 157.672 2.15342e+01 157.672 0.3645 
1 1 1 4  28 24 o 1  4.14316e+01 2.03044e+01 1.23075e+01 158.903 -7.79587e-01 3.00772e-01  0.00000e+00 0.00000e+00 2.45288e+01 158.903 1.22213e+01 158.903 0.3851 
1 1 1 4  28 25 o 7  4.03495e+01 1.97636e+01 1.76190e+01 351.343 1.26727e+00  -1.92955e-01 0.00000e+00 0.00000e+00 3.30633e+01 351.343 1.54443e+01 351.343 0.5374 
1 1 1 4  29 0  o 11 5.27696e+01 3.26990e+01 5.21423e+01 0.000   8.68677e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.39566e+01 0.000   2.81856e+01 180.000 0.7007 
1 1 1 4  29 1  o 14 4.06547e+01 1.88092e+01 5.12554e+01 37.603  1.18059e+00  9.09256e-01  0.00000e+00 0.00000e+00 1.56878e+00 217.603 5.28241e+01 217.603 0.5937 
1 1 1 4  29 2  o 13 3.68602e+01 1.80793e+01 5.38373e+01 128.714 -9.04155e-01 1.12799e+00  0.00000e+00 0.00000e+00 9.61086e+00 308.714 6.34481e+01 308.714 0.5824 
1 1 1 4  29 3  o 18 4.18783e+01 2.01162e+01 1.19333e+02 251.927 -1.10417e+00 -3.38363e+00 0.00000e+00 0.00000e+00 4.64125e+01 71.927  1.65746e+02 71.927  0.8441 
1 1 1 4  29 4  o 6  4.33197e+01 1.86827e+01 2.57102e+01 271.388 1.99572e-02  -8.23951e-01 0.00000e+00 0.00000e+00 8.36409e+00 271.388 1.73461e+01 91.388  0.3807 
1 1 1 4  29 5  o 14 4.63440e+01 2.19182e+01 1.25473e+02 35.429  3.17308e+00  2.25738e+00  0.00000e+00 0.00000e+00 4.29926e+01 215.429 1.68465e+02 215.429 0.8593 
1 1 1 4  29 6  o 1  5.13923e+01 2.34650e+01 8.08742e+01 334.843 2.21450e+00  -1.04002e+00 0.00000e+00 0.00000e+00 1.42738e-01 334.843 8.07315e+01 154.843 0.7591 
1 1 1 4  29 7  o 17 5.41591e+01 2.41239e+01 7.91656e+01 247.548 -9.80624e-01 -2.37305e+00 0.00000e+00 0.00000e+00 7.97259e+00 247.548 7.11930e+01 67.548  0.7722 
1 1 1 4  29 8  o 4  6.89156e+01 2.16837e+01 8.55713e+01 147.378 -3.17616e+00 2.03298e+00  0.00000e+00 0.00000e+00 3.75403e+01 147.378 4.80310e+01 327.378 0.8541 
1 1 1 4  29 9  o 5  2.94164e+01 1.46249e+01 6.10134e+01 61.959  7.92528e-01  1.48795e+00  0.00000e+00 0.00000e+00 2.15395e+01 241.959 8.25529e+01 241.959 0.6388 
1 1 1 4  29 10 f 0  3.75623e+01 1.71917e+01 3.46047e+01 183.580 -1.20683e+00 -7.55025e-02 0.00000e+00 0.00000e+00 6.27376e+00 183.580 2.83309e+01 3.580   0.5156 
1 1 1 4  29 11 o 4  5.45848e+01 2.10813e+01 5.66974e+01 133.674 -1.79625e+00 1.88135e+00  0.00000e+00 0.00000e+00 3.31289e+01 133.674 2.35685e+01 313.674 0.7756 
1 1 1 4  29 12 o 11 5.61665e+01 2.11538e+01 5.21080e+01 326.066 2.32817e+00  -1.56647e+00 0.00000e+00 0.00000e+00 4.31359e+01 326.066 8.97209e+00 146.066 0.7946 
1 1 1 4  29 13 o 3  5.26620e+01 2.07264e+01 3.38943e+01 204.794 -1.65963e+00 -7.66647e-01 0.00000e+00 0.00000e+00 4.15935e+01 204.794 7.69923e+00 204.794 0.6674 
1 1 1 4  29 14 o 12 4.01489e+01 1.77096e+01 1.63573e+01 351.109 7.89149e-01  -1.23451e-01 0.00000e+00 0.00000e+00 1.58147e+01 351.109 5.42527e-01 171.109 0.3706 
1 1 1 4  29 15 f 0  9.47661e+01 2.25279e+01 3.82877e+01 226.859 -2.70585e+00 -2.88736e+00 0.00000e+00 0.00000e+00 1.39617e+02 226.859 1.01330e+02 226.859 0.8619 
1 1 1 4  29 16 o 3  8.14722e+01 3.17995e+01 3.14710e+01 12.355  1.67515e+00  3.66938e-01  0.00000e+00 0.00000e+00 8.38814e+01 12.355  5.24104e+01 12.355  0.6449 
1 1 1 4  29 17 o 19 4.91263e+01 2.36734e+01 4.80370e+01 36.599  1.97358e+00  1.46565e+00  0.00000e+00 0.00000e+00 3.46539e+01 36.599  1.33831e+01 216.599 0.7604 
1 1 1 4  29 18 o 10 4.42155e+01 2.18840e+01 4.86361e+01 184.024 -2.54428e+00 -1.78968e-01 0.00000e+00 0.00000e+00 2.74366e+01 184.024 2.11995e+01 4.024   0.7704 
1 1 1 4  29 19 o 1  4.50285e+01 2.23507e+01 9.86454e+00 112.234 -2.16428e-01 5.29453e-01  0.00000e+00 0.00000e+00 1.80388e+01 112.234 8.17431e+00 112.234 0.2749 
1 1 1 4  29 20 f 0  7.18676e+01 2.64105e+01 2.14399e+01 159.645 -1.41262e+00 5.24096e-01  0.00000e+00 0.00000e+00 7.63622e+01 159.645 5.49223e+01 159.645 0.5978 
1 1 1 4  29 21 f 0  4.21810e+01 1.99465e+01 1.13062e+01 275.628 7.51563e-02  -7.62664e-01 0.00000e+00 0.00000e+00 2.33844e+01 275.628 1.20782e+01 275.628 0.3576 
1 1 1 4  29 22 o 7  5.30372e+01 2.38376e+01 2.91708e+01 19.342  1.84856e+00  6.48890e-01  0.00000e+00 0.00000e+00 5.60399e+01 19.342  2.68691e+01 19.342  0.6909 
1 1 1 4  29 23 o 6  4.53915e+01 2.14735e+01 1.19772e+01 156.440 -7.48158e-01 3.26248e-01  0.00000e+00 0.00000e+00 2.83214e+01 156.440 1.63443e+01 156.440 0.3775 
1 1 1 4  29 24 o 16 4.80520e+01 2.26671e+01 2.59061e+01 257.414 -3.83212e-01 -1.71638e+00 0.00000e+00 0.00000e+00 4.88686e+01 257.414 2.29624e+01 257.414 0.6539 
1 1 1 4  30 0  o 13 4.38159e+01 2.88154e+01 1.40400e+00 0.000   2.43479e-02  0.00000e+00  0.00000e+00 0.00000e+00 8.61321e-01 0.000   5.42683e-01 180.000 0.0243 
1 1 1 4  30 1  o 3  5.84713e+01 2.27201e+01 3.47662e+01 346.518 1.44170e+00  -3.45633e-01 0.00000e+00 0.00000e+00 3.87431e+01 346.518 3.97685e+00 346.518 0.5918 
1 1 1 4  30 2  o 14 6.51547e+01 2.39030e+01 6.78581e+01 123.720 -1.71455e+00 2.56894e+00  0.00000e+00 0.00000e+00 4.52175e+01 123.720 2.26406e+01 303.720 0.8163 
1 1 1 4  30 3  o 2  5.16700e+01 2.29687e+01 1.12375e+01 146.866 -3.50356e-01 2.28688e-01  0.00000e+00 0.00000e+00 1.12821e+01 146.866 4.46368e-02 146.866 0.2047 
1 1 1 4  30 4  o 13 6.53727e+01 2.28378e+01 4.85068e+01 299.023 1.11048e+00  -2.00144e+00 0.00000e+00 0.00000e+00 5.46434e+01 299.023 6.13657e+00 299.023 0.7399 
1 1 1 4  30 5  o 10 6.38010e+01 2.65247e+01 6.84854e+01 199.891 -2.73662e+00 -9.90178e-01 0.00000e+00 0.00000e+00 4.10289e+01 199.891 2.74565e+01 19.891  0.8031 
1 1 1 4  30 6  o 6  3.98824e+01 1.93884e+01 5.14188e+01 347.760 1.73285e+00  -3.75929e-01 0.00000e+00 0.00000e+00 4.72020e+00 347.760 4.66986e+01 167.760 0.6568 
1 1 1 4  30 7  o 12 4.38317e+01 2.09552e+01 9.07022e+01 15.720  3.24645e+00  9.13765e-01  0.00000e+00 0.00000e+00 1.20832e+01 195.720 1.02785e+02 195.720 0.8342 
1 1 1 4  30 8  o 8  7.28870e+01 2.19826e+01 4.78914e+01 184.483 -2.97308e+00 -2.33076e-01 0.00000e+00 0.00000e+00 7.93265e+01 184.483 3.14352e+01 184.483 0.8087 
1 1 1 4  30 9  o 14 3.64762e+01 1.77896e+01 7.28786e+01 134.541 -2.06780e+00 2.10120e+00  0.00000e+00 0.00000e+00 9.14400e+00 314.541 8.20226e+01 314.541 0.8061 
1 1 1 4  30 10 o 6  4.95857e+01 2.08283e+01 6.03422e+01 342.945 2.91906e+00  -8.95525e-01 0.00000e+00 0.00000e+00 2.75554e+01 342.945 3.27868e+01 162.945 0.8139 
1 1 1 4  30 11 o 19 4.61481e+01 1.96051e+01 5.21713e+01 303.974 1.50228e+00  -2.22936e+00 0.00000e+00 0.00000e+00 2.70519e+01 303.974 2.51194e+01 123.974 0.7840 
1 1 1 4  30 12 o 7  3.45874e+01 1.61712e+01 5.22757e+01 72.067  8.07742e-01  2.49592e+00  0.00000e+00 0.00000e+00 6.97129e+00 72.067  4.53044e+01 252.067 0.7778 
1 1 1 4  30 13 o 18 3.19559e+01 1.52738e+01 1.65410e+01 225.130 -6.02144e-01 -6.04885e-01 0.00000e+00 0.00000e+00 1.12281e+01 225.130 5.31298e+00 45.130  0.3921 
1 1 1 4  30 14 o 8  6.34984e+01 2.24393e+01 2.33772e+01 115.844 -7.06699e-01 1.45901e+00  0.00000e+00 0.00000e+00 6.51369e+01 115.844 4.17597e+01 115.844 0.6247 
1 1 1 4  30 15 f 0  5.65963e+01 2.11857e+01 2.17526e+01 214.748 -1.20455e+00 -8.35549e-01 0.00000e+00 0.00000e+00 5.30024e+01 214.748 3.12498e+01 214.748 0.5876 
1 1 1 4  30 16 o 4  2.82265e+01 1.39126e+01 2.52267e+01 338.099 1.26267e+00  -5.07625e-01 0.00000e+00 0.00000e+00 1.05716e+01 338.099 1.46551e+01 158.099 0.5598 
1 1 1 4  30 17 o 3  5.03755e+01 2.42405e+01 3.31327e+01 97.727  -2.41586e-01 1.78038e+00  0.00000e+00 0.00000e+00 4.29797e+01 97.727  9.84699e+00 97.727  0.6614 
1 1 1 4  30 18 o 15 5.65457e+01 2.67471e+01 1.69069e+01 258.825 -1.77092e-01 -8.96449e-01 0.00000e+00 0.00000e+00 3.71758e+01 258.825 2.02689e+01 258.825 0.4150 
1 1 1 4  30 19 o 13 5.47017e+01 2.63628e+01 1.78042e+01 344.857 9.32708e-01  -2.52420e-01 0.00000e+00 0.00000e+00 3.74615e+01 344.857 1.96573e+01 344.857 0.4343 
1 1 1 4  30 20 o 13 5.27232e+01 2.60010e+01 3.35061e+00 217.213 -1.45909e-01 -1.10803e-01 0.00000e+00 0.00000e+00 7.94841e+00 217.213 4.59780e+00 217.213 0.0912 
1 1 1 4  30 21 o 14 5.32435e+01 2.32953e+01 1.04302e+01 266.556 -4.30698e-02 -7.15592e-01 0.00000e+00 0.00000e+00 3.21896e+01 266.556 2.17595e+01 266.556 0.3372 
1 1 1 4  30 22 o 12 4.92267e+01 2.27473e+01 1.73272e+01 108.099 -3.61410e-01 1.10582e+00  0.00000e+00 0.00000e+00 4.18865e+01 108.099 2.45593e+01 108.099 0.5013 
1 1 1 4  31 0  o 2  3.80579e+01 2.58840e+01 6.72016e+01 180.000 -1.26755e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.03566e+00 180.000 6.31659e+01 0.000   0.8531 
1 1 1 4  31 1  o 8  4.86119e+01 2.10315e+01 3.82124e+01 352.421 1.63381e+00  -2.17389e-01 0.00000e+00 0.00000e+00 2.90723e+01 352.421 9.14009e+00 172.421 0.6307 
1 1 1 4  31 2  o 1  4.89754e+01 2.10898e+01 1.18142e+01 295.723 2.22043e-01  -4.60889e-01 0.00000e+00 0.00000e+00 1.48371e+01 295.723 3.02290e+00 295.723 0.2478 
1 1 1 4  31 3  o 5  7.42476e+01 2.80333e+01 6.37503e+01 9.145   3.30454e+00  5.31937e-01  0.00000e+00 0.00000e+00 7.22071e+01 9.145   8.45685e+00 9.145   0.8327 
1 1 1 4  31 4  o 3  5.98543e+01 2.30889e+01 4.37897e+01 58.349  1.20743e+00  1.95878e+00  0.00000e+00 0.00000e+00 5.39811e+01 58.349  1.01915e+01 58.349  0.7415 
1 1 1 4  31 5  o 3  4.11741e+01 1.88561e+01 7.10986e+01 229.170 -2.14694e+00 -2.48466e+00 0.00000e+00 0.00000e+00 4.26117e+00 229.170 6.68374e+01 49.170  0.8290 
1 1 1 4  31 6  o 9  4.77620e+01 2.26472e+01 3.71404e+01 236.656 -9.11903e-01 -1.38592e+00 0.00000e+00 0.00000e+00 2.98040e+01 236.656 7.33647e+00 56.656  0.6331 
1 1 1 4  31 7  o 13 7.31413e+01 2.88107e+01 2.40759e+01 171.627 -1.25393e+00 1.84563e-01  0.00000e+00 0.00000e+00 6.25494e+01 171.627 3.84735e+01 171.627 0.5332 
1 1 1 4  31 8  o 16 8.52972e+01 2.32471e+01 3.23313e+01 27.272  2.46048e+00  1.26845e+00  0.00000e+00 0.00000e+00 1.18162e+02 27.272  8.58305e+01 27.272  0.7913 
1 1 1 4  31 9  o 7  5.75146e+01 2.20139e+01 2.00105e+01 288.613 3.91126e-01  -1.16134e+00 0.00000e+00 0.00000e+00 4.70384e+01 288.613 2.70279e+01 288.613 0.5206 
1 1 1 4  31 10 o 2  4.71630e+01 2.05734e+01 1.66525e+01 48.367  6.27227e-01  7.05652e-01  0.00000e+00 0.00000e+00 2.85802e+01 48.367  1.19278e+01 48.367  0.4262 
1 1 1 4  31 11 o 2  4.14032e+01 1.87063e+01 1.70935e+01 31.139  7.86297e-01  4.75047e-01  0.00000e+00 0.00000e+00 2.19444e+01 31.139  4.85090e+00 31.139  0.4168 
1 1 1 4  31 12 o 4  3.79233e+01 1.74308e+01 4.76233e+01 242.409 -1.23972e+00 -2.37233e+00 0.00000e+00 0.00000e+00 1.99297e+01 242.409 2.76936e+01 62.409  0.7829 
1 1 1 4  31 13 o 9  3.43346e+01 1.61420e+01 1.51019e+01 331.654 7.39468e-01  -3.98929e-01 0.00000e+00 0.00000e+00 1.53150e+01 331.654 2.13114e-01 331.654 0.3869 
1 1 1 4  31 14 f 0  3.92316e+01 1.78491e+01 1.84681e+01 95.870  -1.10959e-01 1.07925e+00  0.00000e+00 0.00000e+00 2.45512e+01 95.870  6.08305e+00 95.870  0.4757 
1 1 1 4  31 15 o 11 5.03598e+01 2.06228e+01 4.34379e+00 114.604 -1.29859e-01 2.83582e-01  0.00000e+00 0.00000e+00 1.36752e+01 114.604 9.33139e+00 114.604 0.1541 
1 1 1 4  31 16 o 18 5.10791e+01 2.09395e+01 4.06534e+01 18.534  2.69032e+00  9.01929e-01  0.00000e+00 0.00000e+00 5.46485e+01 18.534  1.39950e+01 18.534  0.7972 
1 1 1 4  31 17 o 15 7.09754e+01 3.10847e+01 2.92125e+01 231.463 -9.66400e-01 -1.21332e+00 0.00000e+00 0.00000e+00 7.27134e+01 231.463 4.35009e+01 231.463 0.6085 
1 1 1 4  31 18 o 17 5.67677e+01 2.70060e+01 1.62052e+01 194.281 -8.60916e-01 -2.19136e-01 0.00000e+00 0.00000e+00 3.85922e+01 194.281 2.23870e+01 194.281 0.4054 
1 1 1 4  31 19 o 3  4.78614e+01 2.38098e+01 1.85862e+01 93.226  -6.18478e-02 1.09714e+00  0.00000e+00 0.00000e+00 3.66608e+01 93.226  1.80746e+01 93.226  0.4803 
1 1 1 4  31 20 f 0  4.44625e+01 2.24597e+01 5.37160e+00 187.840 -3.27504e-01 -4.50943e-02 0.00000e+00 0.00000e+00 1.22257e+01 187.840 6.85407e+00 187.840 0.1631 
1 1 1 4  31 21 o 6  3.89751e+01 1.88258e+01 2.09941e+01 354.816 1.54248e+00  -1.39947e-01 0.00000e+00 0.00000e+00 3.71108e+01 354.816 1.61167e+01 354.816 0.6080 
1 1 1 4  32 0  o 6  4.26721e+01 2.80135e+01 2.02504e+01 0.000   5.17863e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.58420e+01 0.000   5.59156e+00 0.000   0.4760 
1 1 1 4  32 1  o 3  3.78753e+01 1.79101e+01 1.39635e+01 76.058  1.69153e-01  6.81352e-01  0.00000e+00 0.00000e+00 1.44920e+01 76.058  5.28546e-01 76.058  0.3310 
1 1 1 4  32 2  o 6  3.49008e+01 1.69632e+01 4.17279e+01 287.346 6.05903e-01  -1.93984e+00 0.00000e+00 0.00000e+00 1.39988e+01 287.346 2.77291e+01 107.346 0.7030 
1 1 1 4  32 3  o 2  5.83811e+01 2.57013e+01 5.90441e+01 152.944 -2.68871e+00 1.37326e+00  0.00000e+00 0.00000e+00 4.86820e+01 152.944 1.03621e+01 332.944 0.8114 
1 1 1 4  32 4  o 19 3.31184e+01 1.61372e+01 2.10263e+01 198.253 -1.02486e+00 -3.38012e-01 0.00000e+00 0.00000e+00 1.47169e+01 198.253 6.30937e+00 18.253  0.4737 
1 1 1 4  32 5  o 18 6.00104e+01 2.69247e+01 8.64379e+01 337.609 4.07285e+00  -1.67795e+00 0.00000e+00 0.00000e+00 3.37970e+01 337.609 5.26409e+01 157.609 0.8775 
1 1 1 4  32 6  o 7  6.76063e+01 2.87315e+01 4.64000e+01 141.797 -1.87859e+00 1.47848e+00  0.00000e+00 0.00000e+00 7.00936e+01 141.797 2.36935e+01 141.797 0.7526 
1 1 1 4  32 7  o 17 4.63375e+01 2.24578e+01 7.66055e+01 176.941 -3.73780e+00 1.99743e-01  0.00000e+00 0.00000e+00 1.41792e+01 176.941 6.24263e+01 356.941 0.8529 
1 1 1 4  32 8  o 18 6.04347e+01 2.27253e+01 3.49053e+01 97.028  -2.74525e-01 2.22669e+00  0.00000e+00 0.00000e+00 6.73798e+01 97.028  3.24745e+01 97.028  0.7340 
1 1 1 4  32 9  o 12 5.93198e+01 2.76873e+01 8.42140e+01 338.034 3.81971e+00  -1.54061e+00 0.00000e+00 0.00000e+00 3.50178e+01 338.034 4.91961e+01 158.034 0.8679 
1 1 1 4  32 10 o 19 8.32252e+01 2.48139e+01 5.06068e+01 284.501 1.02312e+00  -3.95577e+00 0.00000e+00 0.00000e+00 1.17248e+02 284.501 6.66410e+01 284.501 0.8667 
1 1 1 4  32 11 o 8  3.58374e+01 1.70798e+01 6.43786e+01 142.318 -2.86644e+00 2.21401e+00  0.00000e+00 0.00000e+00 6.64810e+00 142.318 5.77305e+01 322.318 0.8472 
1 1 1 4  32 12 o 17 3.60034e+01 1.69672e+01 2.37608e+01 1.166   1.45292e+00  2.95724e-02  0.00000e+00 0.00000e+00 2.57416e+01 1.166   1.98085e+00 1.166   0.5844 
1 1 1 4  32 13 o 2  2.87227e+01 1.40877e+01 7.67078e+00 317.231 3.59921e-01  -3.32925e-01 0.00000e+00 0.00000e+00 8.51959e+00 317.231 8.48811e-01 317.231 0.2381 
1 1 1 4  32 14 o 6  7.44408e+01 2.36175e+01 1.46394e+01 84.126  1.26156e-01  1.22614e+00  0.00000e+00 0.00000e+00 7.81330e+01 84.126  6.34936e+01 84.126  0.5228 
1 1 1 4  32 15 o 10 5.24576e+01 2.10729e+01 1.20104e+01 226.423 -5.97181e-01 -6.27615e-01 0.00000e+00 0.00000e+00 3.80054e+01 226.423 2.59950e+01 226.423 0.3970 
1 1 1 4  32 16 o 12 7.45888e+01 2.39383e+01 2.94135e+01 140.767 -1.97950e+00 1.61636e+00  0.00000e+00 0.00000e+00 1.09758e+02 140.767 8.03441e+01 140.767 0.7709 
1 1 1 4  32 17 o 6  3.98091e+01 1.83993e+01 1.36604e+00 298.019 4.73517e-02  -8.89825e-02 0.00000e+00 0.00000e+00 3.52425e+00 298.019 2.15821e+00 298.019 0.0503 
1 1 1 4  32 18 o 1  4.79993e+01 2.38211e+01 2.71386e+01 313.667 1.11436e+00  -1.16744e+00 0.00000e+00 0.00000e+00 4.64957e+01 313.667 1.93570e+01 313.667 0.6231 
1 1 1 4  32 19 o 12 5.40413e+01 2.64957e+01 2.39270e+00 301.597 7.01903e-02  -1.14107e-01 0.00000e+00 0.00000e+00 6.58347e+00 301.597 4.19077e+00 301.597 0.0668 
1 1 1 4  33 0  o 18 3.06309e+01 2.18153e+01 8.10421e+01 0.000   2.07242e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.13346e+01 180.000 9.23767e+01 180.000 0.9688 
1 1 1 4  33 1  o 12 5.13327e+01 2.24236e+01 3.06897e+01 271.271 3.83808e-02  -1.73026e+00 0.00000e+00 0.00000e+00 4.74915e+01 271.271 1.68018e+01 271.271 0.6482 
1 1 1 4  33 2  o 10 4.32281e+01 2.00376e+01 1.82996e+01 69.186  3.54930e-01  9.33672e-01  0.00000e+00 0.00000e+00 2.70329e+01 69.186  8.73327e+00 69.186  0.4460 
1 1 1 4  33 3  o 10 5.23573e+01 2.39533e+01 3.08759e+01 206.012 -1.45877e+00 -7.11856e-01 0.00000e+00 0.00000e+00 4.61838e+01 206.012 1.53078e+01 206.012 0.6251 
1 1 1 4  33 4  o 1  4.26370e+01 1.96200e+01 4.82958e+01 152.792 -2.40206e+00 1.23492e+00  0.00000e+00 0.00000e+00 3.06628e+01 152.792 1.76330e+01 332.792 0.7852 
1 1 1 4  33 5  o 3  4.68442e+01 2.08564e+01 3.65249e+01 48.838  1.36733e+00  1.56401e+00  0.00000e+00 0.00000e+00 4.21056e+01 48.838  5.58077e+00 48.838  0.7101 
1 1 1 4  33 6  o 10 5.89136e+01 2.68873e+01 1.22218e+01 284.367 1.55774e-01  -6.08152e-01 0.00000e+00 0.00000e+00 2.95869e+01 284.367 1.73651e+01 284.367 0.2994 
1 1 1 4  33 7  o 2  4.54307e+01 2.22229e+01 3.12950e+01 71.918  5.02202e-01  1.53810e+00  0.00000e+00 0.00000e+00 3.61222e+01 71.918  4.82717e+00 71.918  0.6240 
1 1 1 4  33 8  o 5  5.59908e+01 2.25318e+01 1.02946e+01 200.861 -6.32469e-01 -2.41019e-01 0.00000e+00 0.00000e+00 3.25324e+01 200.861 2.22377e+01 200.861 0.3204 
1 1 1 4  33 9  o 10 4.70260e+01 2.08633e+01 1.90067e+01 254.101 -3.38561e-01 -1.18859e+00 0.00000e+00 0.00000e+00 4.00432e+01 254.101 2.10365e+01 254.101 0.5238 
1 1 1 4  33 10 o 2  6.74942e+01 2.41789e+01 1.45351e+01 157.521 -9.90005e-01 4.09652e-01  0.00000e+00 0.00000e+00 6.20663e+01 157.521 4.75313e+01 157.521 0.4711 
1 1 1 4  33 11 o 4  4.19126e+01 1.93879e+01 3.94737e+01 260.736 -3.96929e-01 -2.43361e+00 0.00000e+00 0.00000e+00 3.77929e+01 260.736 1.68084e+00 80.736  0.7612 
1 1 1 4  33 12 o 17 3.55286e+01 1.69422e+01 2.87477e+01 325.553 1.55904e+00  -1.06937e+00 0.00000e+00 0.00000e+00 3.00113e+01 325.553 1.26359e+00 325.553 0.6790 
1 1 1 4  33 13 o 4  4.14534e+01 1.90115e+01 1.26928e+01 145.661 -7.25633e-01 4.95712e-01  0.00000e+00 0.00000e+00 2.81356e+01 145.661 1.54428e+01 145.661 0.4018 
1 1 1 4  33 14 o 13 4.98591e+01 2.10079e+01 1.29194e+01 86.469  5.95572e-02  9.65275e-01  0.00000e+00 0.00000e+00 4.05615e+01 86.469  2.76420e+01 86.469  0.4346 
1 1 1 4  33 15 o 13 6.49219e+01 2.40959e+01 4.39492e+01 9.965   3.31966e+00  5.83256e-01  0.00000e+00 0.00000e+00 9.06697e+01 9.965   4.67206e+01 9.965   0.8340 
1 1 1 4  33 16 o 4  4.00370e+01 1.82594e+01 1.32236e+01 101.746 -2.05389e-01 9.87803e-01  0.00000e+00 0.00000e+00 3.18743e+01 101.746 1.86507e+01 101.746 0.4495 
1 1 1 4  33 17 o 15 4.10743e+01 1.84730e+01 2.46153e+01 193.123 -1.88663e+00 -4.39846e-01 0.00000e+00 0.00000e+00 4.67000e+01 193.123 2.20846e+01 193.123 0.6872 
1 1 1 4  34 0  o 14 6.48773e+01 3.64723e+01 1.23017e+01 180.000 -3.96071e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.71755e+01 180.000 3.48738e+01 180.000 0.3766 
1 1 1 4  34 1  o 16 3.89782e+01 1.86378e+01 3.38838e+01 217.329 -1.69133e+00 -1.28982e+00 0.00000e+00 0.00000e+00 3.42234e+01 217.329 3.39611e-01 217.329 0.7176 
1 1 1 4  34 2  o 2  5.35613e+01 2.32783e+01 6.62351e+01 168.511 -4.04981e+00 8.23107e-01  0.00000e+00 0.00000e+00 4.71157e+01 168.511 1.91194e+01 348.511 0.8684 
1 1 1 4  34 3  o 9  6.36547e+01 2.84885e+01 5.32815e+01 346.426 2.77360e+00  -6.69681e-01 0.00000e+00 0.00000e+00 7.07419e+01 346.426 1.74604e+01 346.426 0.7985 
1 1 1 4  34 4  o 7  5.11464e+01 2.26370e+01 6.38214e+01 351.570 3.87229e+00  -5.73895e-01 0.00000e+00 0.00000e+00 4.37117e+01 351.570 2.01097e+01 171.570 0.8602 
1 1 1 4  34 5  o 5  7.85199e+01 2.63436e+01 5.63207e+01 134.685 -2.93853e+00 2.97104e+00  0.00000e+00 0.00000e+00 1.11044e+02 134.685 5.47237e+01 134.685 0.8701 
1 1 1 4  34 6  o 15 6.74861e+01 2.97208e+01 2.26240e+01 115.312 -5.03382e-01 1.06432e+00  0.00000e+00 0.00000e+00 6.12175e+01 115.312 3.85935e+01 115.312 0.5057 
1 1 1 4  34 7  o 1  6.46363e+01 2.88628e+01 3.96023e+01 0.355   2.06545e+00  1.27993e-02  0.00000e+00 0.00000e+00 7.32271e+01 0.355   3.36249e+01 0.355   0.7082 
1 1 1 4  34 8  o 15 4.63191e+01 2.06082e+01 3.85330e+01 290.143 8.62298e-01  -2.35087e+00 0.00000e+00 0.00000e+00 4.91822e+01 290.143 1.06492e+01 290.143 0.7654 
1 1 1 4  34 9  o 17 5.70395e+01 2.33760e+01 1.11358e+01 168.253 -7.47813e-01 1.55500e-01  0.00000e+00 0.00000e+00 3.93911e+01 168.253 2.82553e+01 168.253 0.3565 
1 1 1 4  34 10 o 9  3.95535e+01 1.85521e+01 4.07963e+01 136.955 -2.00128e+00 1.86913e+00  0.00000e+00 0.00000e+00 3.70793e+01 136.955 3.71702e+00 316.955 0.7886 
1 1 1 4  34 11 o 4  4.31990e+01 1.99311e+01 6.57325e+00 259.418 -8.43713e-02 -4.51603e-01 0.00000e+00 0.00000e+00 1.76978e+01 259.418 1.11245e+01 259.418 0.2239 
1 1 1 4  34 12 o 8  3.93883e+01 1.86002e+01 2.44612e+00 237.736 -9.19520e-02 -1.45656e-01 0.00000e+00 0.00000e+00 6.08615e+00 237.736 3.64003e+00 237.736 0.0858 
1 1 1 4  34 13 o 1  3.21874e+01 1.57997e+01 1.72566e+01 168.283 -1.25917e+00 2.61150e-01  0.00000e+00 0.00000e+00 2.67848e+01 168.283 9.52821e+00 168.283 0.5386 
1 1 1 4  34 14 o 4  3.44135e+01 1.65785e+01 1.48770e+01 279.471 1.90969e-01  -1.14475e+00 0.00000e+00 0.00000e+00 2.91692e+01 279.471 1.42922e+01 279.471 0.5004 
1 1 1 4  34 15 f 0  4.75583e+01 2.07856e+01 2.66201e+00 14.282  1.89855e-01  4.83305e-02  0.00000e+00 0.00000e+00 9.28384e+00 14.282  6.62183e+00 14.282  0.0975 
1 1 1 4  35 0  o 10 2.59823e+01 1.88323e+01 1.74183e+01 180.000 -6.04920e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.80533e+01 180.000 6.35026e-01 180.000 0.5405 
1 1 1 4  35 1  o 3  3.48657e+01 1.70737e+01 3.16008e+01 138.539 -1.59275e+00 1.40721e+00  0.00000e+00 0.00000e+00 3.15815e+01 138.539 1.93125e-02 318.539 0.7173 
1 1 1 4  35 2  o 15 4.09833e+01 1.94819e+01 9.98131e+00 168.150 -6.35378e-01 1.33313e-01  0.00000e+00 0.00000e+00 2.19966e+01 168.150 1.20153e+01 168.150 0.3086 
1 1 1 4  35 3  f 0  5.11394e+01 2.27521e+01 1.46869e+01 83.531  1.05030e-01  9.26225e-01  0.00000e+00 0.00000e+00 3.99216e+01 83.531  2.52348e+01 83.531  0.4218 
1 1 1 4  35 4  o 3  5.29469e+01 2.54276e+01 2.28938e+01 337.377 1.14573e+00  -4.77466e-01 0.00000e+00 0.00000e+00 4.76458e+01 337.377 2.47520e+01 337.377 0.5254 
1 1 1 4  35 5  o 10 4.37635e+01 2.04892e+01 4.14866e+01 294.932 1.10815e+00  -2.38376e+00 0.00000e+00 0.00000e+00 4.50848e+01 294.932 3.59814e+00 294.932 0.7783 
1 1 1 4  35 6  o 3  4.99749e+01 2.47035e+01 1.05852e+01 104.152 -1.44493e-01 5.73063e-01  0.00000e+00 0.00000e+00 2.54997e+01 104.152 1.49145e+01 104.152 0.2833 
1 1 1 4  35 7  o 2  5.51801e+01 2.70795e+01 7.56464e+00 19.792  3.72155e-01  1.33925e-01  0.00000e+00 0.00000e+00 1.98072e+01 19.792  1.22426e+01 19.792  0.1940 
1 1 1 4  35 8  o 11 4.04168e+01 1.91572e+01 1.56319e+01 292.530 4.09194e-01  -9.86431e-01 0.00000e+00 0.00000e+00 3.31201e+01 292.530 1.74882e+01 292.530 0.4699 
1 1 1 4  35 9  o 13 5.45669e+01 2.26680e+01 1.32964e+01 169.676 -9.21066e-01 1.67792e-01  0.00000e+00 0.00000e+00 4.62506e+01 169.676 3.29541e+01 169.676 0.4233 
1 1 1 4  35 10 o 10 3.86083e+01 1.82823e+01 5.65743e+00 187.501 -4.03671e-01 -5.31500e-02 0.00000e+00 0.00000e+00 1.42901e+01 187.501 8.63267e+00 187.501 0.1995 
1 1 1 4  35 11 o 8  4.95224e+01 2.19814e+01 4.84031e+00 128.049 -2.05953e-01 2.63148e-01  0.00000e+00 0.00000e+00 1.64098e+01 128.049 1.15695e+01 128.049 0.1648 
1 1 1 4  35 12 o 18 3.34512e+01 1.64018e+01 1.61785e+01 98.619  -1.84159e-01 1.21500e+00  0.00000e+00 0.00000e+00 2.95223e+01 98.619  1.33438e+01 98.619  0.5216 
1 1 1 4  36 0  o 16 4.02964e+01 2.73776e+01 1.47894e+01 180.000 -4.94727e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.36176e+01 180.000 1.88283e+01 180.000 0.4580 
1 1 1 4  36 1  o 10 3.33417e+01 1.64946e+01 3.67016e+00 355.176 2.60691e-01  -2.19996e-02 0.00000e+00 0.00000e+00 7.67627e+00 355.176 4.00611e+00 355.176 0.1297 
1 1 1 4  36 2  o 5  4.40981e+01 2.06450e+01 3.12458e+01 1.701   2.05418e+00  6.10039e-02  0.00000e+00 0.00000e+00 5.05735e+01 1.701   1.93277e+01 1.701   0.7066 
1 1 1 4  36 3  o 2  3.74476e+01 1.81691e+01 3.34960e+00 315.093 1.63010e-01  -1.62479e-01 0.00000e+00 0.00000e+00 7.90570e+00 315.093 4.55611e+00 315.093 0.1143 
1 1 1 4  36 4  o 6  4.88745e+01 2.38939e+01 2.42119e+01 147.303 -1.16666e+00 7.48890e-01  0.00000e+00 0.00000e+00 4.87410e+01 147.303 2.45291e+01 147.303 0.5668 
1 1 1 4  36 5  o 14 4.15828e+01 1.97081e+01 5.48743e+00 337.687 3.43450e-01  -1.40949e-01 0.00000e+00 0.00000e+00 1.45445e+01 337.687 9.05708e+00 337.687 0.1825 
1 1 1 4  36 6  o 6  4.82182e+01 2.39820e+01 3.16415e+01 255.314 -4.56203e-01 -1.74066e+00 0.00000e+00 0.00000e+00 5.28440e+01 255.314 2.12025e+01 255.314 0.6619 
1 1 1 4  36 7  o 12 4.68948e+01 2.34686e+01 6.62952e+00 240.357 -1.88050e-01 -3.30451e-01 0.00000e+00 0.00000e+00 1.66283e+01 240.357 9.99877e+00 240.357 0.1868 
1 1 1 5  0  2  o 11 4.16365e+02 2.41423e+01 3.60110e+02 180.000 -1.27092e+00 0.00000e+00  0.00000e+00 0.00000e+00 9.67696e+01 180.000 2.63340e+02 0.000   0.8540 
1 1 1 5  0  3  o 14 1.24418e+03 5.28461e+01 7.40890e+02 90.000  5.87583e-16  9.59595e+00  0.00000e+00 0.00000e+00 8.59680e+02 90.000  1.18791e+02 90.000  1.0000 
1 1 1 5  0  4  o 4  2.92935e+02 2.13101e+01 7.25697e+01 180.000 -2.11110e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.96365e+00 180.000 6.66060e+01 0.000   0.2080 
1 1 1 5  0  5  o 9  1.55253e+03 4.55679e+01 1.10581e+03 270.000 -1.52264e-15 -2.48667e+01 0.00000e+00 0.00000e+00 8.99516e+02 270.000 2.06296e+02 90.000  1.0000 
1 1 1 5  0  6  f 0  1.26087e+03 3.75549e+01 7.82521e+02 0.000   1.32339e+01  0.00000e+00  0.00000e+00 0.00000e+00 8.50608e+02 0.000   6.80869e+01 0.000   1.0000 
1 1 1 5  0  7  o 19 2.07835e+02 1.41180e+01 1.06276e+02 90.000  1.66125e-17  2.71303e-01  0.00000e+00 0.00000e+00 3.47491e+01 270.000 1.41025e+02 270.000 0.2648 
1 1 1 5  0  8  o 2  1.69811e+03 4.96111e+01 9.22612e+02 180.000 -1.88911e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.29243e+03 180.000 3.69820e+02 180.000 1.0000 
1 1 1 5  0  10 o 19 1.24948e+03 3.74055e+01 4.36877e+02 0.000   1.01189e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.20783e+03 0.000   7.70955e+02 0.000   1.0000 
1 1 1 5  0  11 o 16 3.60624e+02 1.65000e+01 3.35060e+02 90.000  1.79539e-16  2.93209e+00  0.00000e+00 0.00000e+00 1.39452e+02 90.000  1.95608e+02 270.000 0.9943 
1 1 1 5  0  12 o 16 1.10263e+03 3.36273e+01 7.56317e+02 0.000   2.64262e+01  0.00000e+00  0.00000e+00 0.00000e+00 7.11280e+02 0.000   4.50369e+01 180.000 1.0000 
1 1 1 5  0  13 o 9  1.00109e+03 3.11219e+01 5.22088e+02 270.000 -1.09433e-15 -1.78718e+01 0.00000e+00 0.00000e+00 8.18793e+02 270.000 2.96706e+02 270.000 1.0000 
1 1 1 5  0  14 o 1  3.19535e+02 1.64282e+01 4.75009e+02 0.000   6.70283e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.40951e+01 180.000 5.19104e+02 180.000 1.0000 
1 1 1 5  0  15 o 17 1.28908e+02 2.01959e+01 5.66886e+00 270.000 -2.02056e-18 -3.29982e-02 0.00000e+00 0.00000e+00 1.07604e-01 270.000 5.56125e+00 90.000  0.0330 
1 1 1 5  0  16 f 0  9.04503e+02 2.90994e+01 6.59285e+02 180.000 -3.29430e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.79096e+02 180.000 8.01881e+01 0.000   1.0000 
1 1 1 5  0  17 o 11 4.26785e+01 2.55709e+01 1.70710e+01 90.000  2.79218e-18  4.55998e-02  0.00000e+00 0.00000e+00 1.43861e+01 270.000 3.14571e+01 270.000 0.0456 
1 1 1 5  0  18 o 17 6.94581e+01 3.39077e+01 7.58684e+01 0.000   4.08924e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.83753e+01 180.000 1.14244e+02 180.000 0.3876 
1 1 1 5  0  19 o 12 2.31702e+02 2.05951e+01 3.33353e+02 90.000  3.79249e-16  6.19361e+00  0.00000e+00 0.00000e+00 7.61315e+00 270.000 3.40966e+02 270.000 1.0000 
1 1 1 5  0  20 o 13 5.93105e+01 3.78690e+01 7.58761e+01 0.000   3.93034e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.43851e+01 180.000 1.20261e+02 180.000 0.3740 
1 1 1 5  0  21 o 13 6.02872e+01 3.48907e+01 8.24443e+01 90.000  2.89280e-17  4.72430e-01  0.00000e+00 0.00000e+00 4.43780e+01 270.000 1.26822e+02 270.000 0.4402 
1 1 1 5  0  23 o 14 4.32652e+02 3.06048e+01 2.52888e+02 270.000 -6.91105e-16 -1.12866e+01 0.00000e+00 0.00000e+00 3.81684e+02 270.000 1.28796e+02 270.000 1.0000 
1 1 1 5  0  24 o 11 4.84994e+02 2.42174e+01 1.45980e+02 180.000 -6.46177e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.73841e+02 180.000 4.27862e+02 180.000 1.0000 
1 1 1 5  0  25 f 0  4.33312e+02 4.16385e+01 1.88697e+02 90.000  4.57691e-16  7.47467e+00  0.00000e+00 0.00000e+00 4.62417e+02 90.000  2.73720e+02 90.000  1.0000 
1 1 1 5  0  26 o 3  4.00482e+01 2.85604e+01 3.11733e+01 0.000   1.50269e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.20817e+01 180.000 5.32550e+01 180.000 0.1491 
1 1 1 5  0  27 o 7  7.68736e+01 4.41418e+01 5.10272e+01 90.000  3.58539e-17  5.85539e-01  0.00000e+00 0.00000e+00 1.14282e+01 90.000  3.95990e+01 270.000 0.5267 
1 1 1 5  0  28 o 14 8.36620e+01 4.56395e+01 5.97848e+01 180.000 -7.46789e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.30779e+01 180.000 3.67069e+01 0.000   0.6332 
1 1 1 5  0  29 o 12 5.43052e+01 3.57123e+01 3.21855e+01 270.000 -2.33740e-17 -3.81727e-01 0.00000e+00 0.00000e+00 8.02001e-01 90.000  3.29875e+01 90.000  0.3642 
1 1 1 5  0  30 o 19 8.27905e+01 4.22413e+01 9.93755e+01 0.000   1.84513e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.74672e+01 0.000   7.19083e+01 180.000 0.9513 
1 1 1 5  0  31 o 18 3.02696e+01 2.19323e+01 7.91740e-02 270.000 -5.03225e-20 -8.21830e-04 0.00000e+00 0.00000e+00 3.84881e-02 90.000  1.17662e-01 90.000  0.0008 
1 1 1 5  0  32 o 7  8.92783e+01 4.68894e+01 9.76077e+00 0.000   2.32493e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.41223e+01 0.000   1.43615e+01 0.000   0.2284 
1 1 1 5  0  34 o 11 5.02223e+01 3.43874e+01 2.68025e+01 0.000   6.56504e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.28972e+01 0.000   3.90529e+00 180.000 0.5760 
1 1 1 5  0  35 o 12 4.53809e+01 3.21513e+01 4.01390e+01 90.000  6.32300e-17  1.03262e+00  0.00000e+00 0.00000e+00 2.13390e+01 90.000  1.88000e+01 270.000 0.7750 
1 1 1 5  0  36 o 9  5.26506e+01 3.67926e+01 4.57554e+01 180.000 -1.38031e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.67977e+01 180.000 8.95768e+00 0.000   0.8810 
1 1 1 5  0  37 f 0  5.36564e+01 3.76694e+01 1.51549e+01 270.000 -2.76685e-17 -4.51861e-01 0.00000e+00 0.00000e+00 2.60301e+01 270.000 1.08752e+01 270.000 0.4234 
1 1 1 5  0  38 o 17 4.49270e+01 3.25151e+01 9.61000e+00 180.000 -3.29066e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.67564e+01 180.000 7.14644e+00 180.000 0.3177 
1 1 1 5  0  39 o 4  4.43816e+01 3.22200e+01 6.57218e+00 90.000  1.46085e-17  2.38575e-01  0.00000e+00 0.00000e+00 1.30019e+01 90.000  6.42970e+00 90.000  0.2341 
1 1 1 5  1  2  o 1  5.01429e+02 1.86115e+01 2.75922e+02 61.349  1.11164e+00  2.03462e+00  0.00000e+00 0.00000e+00 2.03480e+02 61.349  7.24426e+01 241.349 0.7437 
1 1 1 5  1  3  o 18 1.33881e+03 3.96773e+01 8.39696e+02 100.207 -4.09558e+00 2.27464e+01  0.00000e+00 0.00000e+00 8.45829e+02 100.207 6.13295e+00 100.207 0.9781 
1 1 1 5  1  4  o 15 2.27358e+02 1.39309e+01 2.04145e+02 137.038 -6.68385e-01 6.22440e-01  0.00000e+00 0.00000e+00 8.25326e+01 317.038 2.86678e+02 317.038 0.4148 
1 1 1 5  1  5  o 6  7.75969e+02 1.76387e+01 5.53323e+02 224.721 -8.88013e+00 -8.79411e+00 0.00000e+00 0.00000e+00 4.08497e+02 224.721 1.44826e+02 44.721  0.9591 
1 1 1 5  1  6  o 7  1.89923e+02 9.58835e+00 1.62496e+02 165.593 -8.03937e-01 2.06527e-01  0.00000e+00 0.00000e+00 6.82423e+01 345.593 2.30738e+02 345.593 0.3829 
1 1 1 5  1  7  o 19 1.10893e+03 2.73020e+01 6.45289e+02 331.709 1.52105e+01  -8.18681e+00 0.00000e+00 0.00000e+00 7.54152e+02 331.709 1.08864e+02 331.709 0.9706 
1 1 1 5  1  8  o 5  3.41009e+02 1.28092e+01 3.07496e+02 318.029 1.89970e+00  -1.70876e+00 0.00000e+00 0.00000e+00 3.55811e+01 318.029 2.71915e+02 138.029 0.7709 
1 1 1 5  1  9  o 1  1.36768e+03 4.05673e+01 8.62329e+02 135.605 -1.82910e+01 1.79085e+01  0.00000e+00 0.00000e+00 8.94945e+02 135.605 3.26161e+01 135.605 0.9803 
1 1 1 5  1  10 o 15 6.01052e+02 1.48686e+01 5.09098e+02 56.350  6.32759e+00  9.50593e+00  0.00000e+00 0.00000e+00 2.46999e+02 56.350  2.62100e+02 236.350 0.9552 
1 1 1 5  1  11 o 14 4.36991e+02 1.45067e+01 3.07123e+02 271.257 1.41917e-01  -6.46672e+00 0.00000e+00 0.00000e+00 2.24633e+02 271.257 8.24903e+01 91.257  0.9191 
1 1 1 5  1  12 o 13 7.12925e+02 1.67955e+01 4.37974e+02 137.403 -1.46842e+01 1.35012e+01  0.00000e+00 0.00000e+00 4.87323e+02 137.403 4.93487e+01 137.403 0.9746 
1 1 1 5  1  13 f 0  7.68648e+02 1.77813e+01 4.56147e+02 263.986 -2.52279e+00 -2.39449e+01 0.00000e+00 0.00000e+00 5.52320e+02 263.986 9.61738e+01 263.986 0.9790 
1 1 1 5  1  14 o 13 3.03314e+02 1.14709e+01 3.09728e+02 190.856 -8.12448e+00 -1.55807e+00 0.00000e+00 0.00000e+00 7.39325e+01 190.856 2.35795e+02 10.856  0.9375 
1 1 1 5  1  15 o 10 3.07825e+02 1.18253e+01 2.43902e+02 134.848 -4.78710e+00 4.81257e+00  0.00000e+00 0.00000e+00 1.42311e+02 134.848 1.01590e+02 314.848 0.9231 
1 1 1 5  1  16 o 4  6.01904e+02 1.54099e+01 4.24590e+02 343.412 2.73783e+01  -8.15558e+00 0.00000e+00 0.00000e+00 3.85371e+02 343.412 3.92188e+01 163.412 0.9823 
1 1 1 5  1  17 o 14 3.29520e+02 1.25257e+01 1.33155e+02 54.377  3.23957e+00  4.52109e+00  0.00000e+00 0.00000e+00 2.78756e+02 54.377  1.45600e+02 54.377  0.9050 
1 1 1 5  1  18 o 15 6.88004e+02 1.72692e+01 3.81224e+02 181.934 -4.18547e+01 -1.41339e+00 0.00000e+00 0.00000e+00 5.66027e+02 181.934 1.84803e+02 181.934 0.9880 
1 1 1 5  1  19 o 17 3.60662e+02 1.37000e+01 1.83858e+02 178.388 -1.06409e+01 2.99374e-01  0.00000e+00 0.00000e+00 2.99005e+02 178.388 1.15147e+02 178.388 0.9518 
1 1 1 5  1  20 o 5  4.33999e+02 2.21092e+01 3.02415e+02 6.984   2.33820e+01  2.86414e+00  0.00000e+00 0.00000e+00 3.00857e+02 6.984   1.55781e+00 186.984 0.9785 
1 1 1 5  1  21 o 5  8.76450e+01 2.94068e+01 8.87745e+01 5.720   1.42019e+00  1.42263e-01  0.00000e+00 0.00000e+00 1.61101e+01 185.720 1.04885e+02 185.720 0.5776 
1 1 1 5  1  22 o 10 1.76138e+02 1.90607e+01 8.26500e+01 41.691  2.54818e+00  2.26960e+00  0.00000e+00 0.00000e+00 1.31102e+02 41.691  4.84519e+01 41.691  0.8364 
1 1 1 5  1  23 o 16 3.59202e+02 1.85902e+01 2.60724e+02 107.517 -5.91906e+00 1.87535e+01  0.00000e+00 0.00000e+00 2.52818e+02 107.517 7.90565e+00 287.517 0.9742 
1 1 1 5  1  24 f 0  1.24290e+02 3.08363e+01 6.50249e+01 83.854  1.44886e-01  1.34550e+00  0.00000e+00 0.00000e+00 3.79117e+01 83.854  2.71132e+01 263.854 0.5577 
1 1 1 5  1  25 o 9  1.16405e+02 3.14898e+01 1.69925e+02 250.806 -1.16794e+00 -3.35501e+00 0.00000e+00 0.00000e+00 2.22534e+01 70.806  1.92179e+02 70.806  0.8438 
1 1 1 5  1  26 o 15 1.06309e+02 3.37124e+01 3.07354e+01 63.257  3.12031e-01  6.19244e-01  0.00000e+00 0.00000e+00 2.22725e+01 63.257  8.46291e+00 243.257 0.3274 
1 1 1 5  1  27 o 4  1.94367e+02 2.40127e+01 1.24931e+02 52.856  4.81513e+00  6.35670e+00  0.00000e+00 0.00000e+00 1.55562e+02 52.856  3.06311e+01 52.856  0.9350 
1 1 1 5  1  28 o 18 1.19649e+02 3.20216e+01 6.44047e+01 72.084  7.10119e-01  2.19645e+00  0.00000e+00 0.00000e+00 7.46143e+01 72.084  1.02096e+01 72.084  0.7424 
1 1 1 5  1  29 o 18 1.10043e+02 3.21528e+01 4.79576e+01 318.115 1.50819e+00  -1.35252e+00 0.00000e+00 0.00000e+00 7.46805e+01 318.115 2.67229e+01 318.115 0.7020 
1 1 1 5  1  30 f 0  7.04707e+01 2.80034e+01 2.35768e+01 295.322 3.31510e-01  -7.00620e-01 0.00000e+00 0.00000e+00 1.74269e+01 295.322 6.14983e+00 115.322 0.3611 
1 1 1 5  1  31 o 17 9.86717e+01 2.96031e+01 6.10181e+01 295.256 1.20232e+00  -2.54859e+00 0.00000e+00 0.00000e+00 6.74389e+01 295.256 6.42085e+00 295.256 0.7956 
1 1 1 5  1  32 o 9  5.91252e+01 2.79064e+01 3.71102e+01 198.603 -1.29287e+00 -4.35164e-01 0.00000e+00 0.00000e+00 1.80084e+01 198.603 1.91018e+01 18.603  0.5607 
1 1 1 5  1  33 o 6  1.00692e+02 3.97218e+01 6.17696e+01 187.487 -3.00401e+00 -3.94801e-01 0.00000e+00 0.00000e+00 7.64418e+01 187.487 1.46722e+01 187.487 0.8122 
1 1 1 5  1  34 f 0  4.78739e+01 2.35245e+01 4.11646e+01 124.795 -1.20135e+00 1.72883e+00  0.00000e+00 0.00000e+00 1.76164e+01 124.795 2.35482e+01 304.795 0.7143 
1 1 1 5  1  35 o 14 5.96703e+01 2.83842e+01 1.95031e+01 116.875 -4.63547e-01 9.14678e-01  0.00000e+00 0.00000e+00 2.80176e+01 116.875 8.51457e+00 116.875 0.4553 
1 1 1 5  1  36 o 12 7.15535e+01 3.24476e+01 3.27344e+01 25.461  1.75098e+00  8.33708e-01  0.00000e+00 0.00000e+00 5.48676e+01 25.461  2.21331e+01 25.461  0.6876 
1 1 1 5  1  37 o 4  6.45218e+01 3.07558e+01 9.64293e+00 290.020 1.91107e-01  -5.24498e-01 0.00000e+00 0.00000e+00 2.18107e+01 290.020 1.21678e+01 290.020 0.2688 
1 1 1 5  1  38 o 6  5.51772e+01 2.72407e+01 4.19192e+00 322.446 2.14830e-01  -1.65167e-01 0.00000e+00 0.00000e+00 9.50115e+00 322.446 5.30923e+00 322.446 0.1343 
1 1 1 5  1  39 f 0  4.23413e+01 2.16426e+01 2.65043e+01 71.845  6.20187e-01  1.89127e+00  0.00000e+00 0.00000e+00 2.90486e+01 71.845  2.54429e+00 71.845  0.6962 
1 1 1 5  2  1  o 1  1.42731e+03 6.01079e+01 4.99181e+02 266.214 -9.81793e-01 -1.48368e+01 0.00000e+00 0.00000e+00 1.27433e+03 266.214 7.75149e+02 266.214 0.9658 
1 1 1 5  2  2  o 14 5.06046e+02 1.87210e+01 6.38955e+02 36.978  5.47960e+00  4.12582e+00  0.00000e+00 0.00000e+00 3.69522e+01 216.978 6.75907e+02 216.978 0.9239 
1 1 1 5  2  3  o 1  1.35729e+03 4.01736e+01 6.49886e+02 35.771  1.42713e+01  1.02818e+01  0.00000e+00 0.00000e+00 1.04943e+03 35.771  3.99545e+02 35.771  0.9711 
1 1 1 5  2  4  o 19 1.84047e+03 7.69172e+01 1.09267e+03 248.433 -1.32051e+01 -3.34080e+01 0.00000e+00 0.00000e+00 1.25093e+03 248.433 1.58253e+02 248.433 0.9860 
1 1 1 5  2  5  o 4  1.08389e+03 2.68271e+01 5.15401e+02 212.333 -1.32852e+01 -8.40930e+00 0.00000e+00 0.00000e+00 8.42221e+02 212.333 3.26820e+02 212.333 0.9677 
1 1 1 5  2  6  o 17 8.11043e+02 1.82511e+01 7.52363e+02 117.018 -7.24963e+00 1.42171e+01  0.00000e+00 0.00000e+00 2.66839e+02 117.018 4.85524e+02 297.018 0.9681 
1 1 1 5  2  7  o 8  2.01779e+02 9.70057e+00 1.57878e+02 326.940 6.37252e-01  -4.14778e-01 0.00000e+00 0.00000e+00 6.45663e+01 146.940 2.22444e+02 146.940 0.3551 
1 1 1 5  2  8  o 12 1.55988e+03 3.72193e+01 1.05865e+03 23.208  3.55962e+01  1.52626e+01  0.00000e+00 0.00000e+00 9.53928e+02 23.208  1.04722e+02 203.208 0.9870 
1 1 1 5  2  9  o 6  5.06866e+02 1.54585e+01 2.24186e+02 317.263 3.36189e+00  -3.10623e+00 0.00000e+00 0.00000e+00 3.63087e+02 317.263 1.38902e+02 317.263 0.8826 
1 1 1 5  2  11 o 16 9.36869e+02 2.06174e+01 7.16442e+02 325.019 3.10076e+01  -2.16965e+01 0.00000e+00 0.00000e+00 5.09439e+02 325.019 2.07002e+02 145.019 0.9867 
1 1 1 5  2  12 o 1  3.78949e+02 1.19193e+01 1.92609e+02 281.888 9.54783e-01  -4.53531e+00 0.00000e+00 0.00000e+00 2.54297e+02 281.888 6.16885e+01 281.888 0.8842 
1 1 1 5  2  13 o 8  6.86305e+02 1.63867e+01 5.49489e+02 133.668 -1.77307e+01 1.85746e+01  0.00000e+00 0.00000e+00 3.53603e+02 133.668 1.95886e+02 313.668 0.9803 
1 1 1 5  2  14 o 2  3.52831e+02 1.19385e+01 1.53921e+02 134.918 -3.59652e+00 3.60679e+00  0.00000e+00 0.00000e+00 2.73085e+02 134.918 1.19164e+02 134.918 0.8955 
1 1 1 5  2  15 o 8  2.95382e+02 1.16579e+01 1.66770e+02 138.699 -3.31860e+00 2.91552e+00  0.00000e+00 0.00000e+00 1.86235e+02 138.699 1.94650e+01 138.699 0.8779 
1 1 1 5  2  16 o 15 3.23730e+02 1.21003e+01 1.82062e+02 348.238 6.07349e+00  -1.26459e+00 0.00000e+00 0.00000e+00 2.24541e+02 348.238 4.24789e+01 348.238 0.9154 
1 1 1 5  2  17 o 10 3.95285e+02 1.30047e+01 1.60768e+02 53.360  4.77053e+00  6.41428e+00  0.00000e+00 0.00000e+00 3.50669e+02 53.360  1.89901e+02 53.360  0.9352 
1 1 1 5  2  18 o 2  2.51399e+02 1.34617e+01 2.36643e+02 37.142  7.62686e+00  5.77684e+00  0.00000e+00 0.00000e+00 9.53769e+01 37.142  1.41266e+02 217.141 0.9462 
1 1 1 5  2  19 o 14 2.81293e+02 1.38473e+01 2.59381e+02 271.113 2.26208e-01  -1.16438e+01 0.00000e+00 0.00000e+00 1.19506e+02 271.113 1.39875e+02 91.113  0.9561 
1 1 1 5  2  20 o 16 2.00453e+02 1.90377e+01 1.82652e+02 117.199 -3.03880e+00 5.91312e+00  0.00000e+00 0.00000e+00 8.01278e+01 117.199 1.02525e+02 297.199 0.9214 
1 1 1 5  2  21 o 9  2.64332e+02 2.46081e+01 1.83674e+02 105.811 -2.50229e+00 8.83628e+00  0.00000e+00 0.00000e+00 1.74997e+02 105.811 8.67717e+00 285.811 0.9439 
1 1 1 5  2  22 o 18 2.26539e+02 1.91478e+01 2.31675e+02 258.431 -2.45675e+00 -1.20013e+01 0.00000e+00 0.00000e+00 8.38049e+01 258.431 1.47870e+02 78.431  0.9583 
1 1 1 5  2  23 f 0  4.47687e+02 3.86008e+01 1.85523e+02 39.250  1.21827e+01  9.95383e+00  0.00000e+00 0.00000e+00 4.51235e+02 39.250  2.65712e+02 39.250  0.9677 
1 1 1 5  2  24 o 8  2.62625e+02 2.01009e+01 1.62505e+02 39.743  5.87819e+00  4.88759e+00  0.00000e+00 0.00000e+00 2.01587e+02 39.743  3.90825e+01 39.743  0.9321 
1 1 1 5  2  25 o 16 5.93432e+02 2.20055e+01 2.72354e+02 275.965 3.22978e+00  -3.09119e+01 0.00000e+00 0.00000e+00 6.06772e+02 275.965 3.34418e+02 275.965 0.9838 
1 1 1 5  2  26 o 8  2.82015e+02 3.69904e+01 2.21559e+02 173.636 -1.26744e+01 1.41351e+00  0.00000e+00 0.00000e+00 1.91385e+02 173.636 3.01736e+01 353.636 0.9600 
1 1 1 5  2  27 o 4  1.66684e+02 2.73981e+01 5.80147e+01 105.126 -7.92063e-01 2.93029e+00  0.00000e+00 0.00000e+00 1.51363e+02 105.126 9.33480e+01 105.126 0.8126 
1 1 1 5  2  28 o 4  1.08405e+02 3.24744e+01 1.03814e+02 1.964   3.45560e+00  1.18505e-01  0.00000e+00 0.00000e+00 3.87258e+01 1.964   6.50877e+01 181.964 0.8389 
1 1 1 5  2  29 o 15 6.64188e+01 2.87337e+01 8.25366e+01 59.252  1.13303e+00  1.90456e+00  0.00000e+00 0.00000e+00 5.41009e+00 239.251 8.79467e+01 239.251 0.7303 
1 1 1 5  2  30 o 5  7.08542e+01 2.81175e+01 6.96474e+01 246.519 -9.30196e-01 -2.14129e+00 0.00000e+00 0.00000e+00 1.56343e+01 246.519 5.40131e+01 66.519  0.7457 
1 1 1 5  2  31 o 5  7.31098e+01 2.83230e+01 4.22828e+01 221.121 -1.12031e+00 -9.78022e-01 0.00000e+00 0.00000e+00 2.87678e+01 221.121 1.35150e+01 41.121  0.5929 
1 1 1 5  2  32 o 14 6.28845e+01 2.91691e+01 5.20172e+00 251.826 -6.10758e-02 -1.86049e-01 0.00000e+00 0.00000e+00 5.00231e+00 251.826 1.99404e-01 71.826  0.0974 
1 1 1 5  2  33 f 0  7.02096e+01 3.24105e+01 5.76924e+01 78.143  5.17177e-01  2.46343e+00  0.00000e+00 0.00000e+00 3.34467e+01 78.143  2.42457e+01 258.143 0.7668 
1 1 1 5  2  34 o 6  6.87117e+01 3.05133e+01 5.57695e+01 141.880 -2.38832e+00 1.87406e+00  0.00000e+00 0.00000e+00 4.03572e+01 141.880 1.54123e+01 321.880 0.8126 
1 1 1 5  2  35 o 7  5.03459e+01 2.47326e+01 4.57458e+01 251.873 -7.41504e-01 -2.26499e+00 0.00000e+00 0.00000e+00 2.05508e+01 251.873 2.51950e+01 71.873  0.7517 
1 1 1 5  2  36 o 12 4.46160e+01 2.24894e+01 9.81312e+00 5.435   6.04065e-01  5.74713e-02  0.00000e+00 0.00000e+00 1.32817e+01 5.435   3.46861e+00 5.435   0.2902 
1 1 1 5  2  37 o 14 5.41675e+01 2.67384e+01 2.06663e+01 27.633  1.15640e+00  6.05391e-01  0.00000e+00 0.00000e+00 3.28826e+01 27.633  1.22163e+01 27.633  0.5442 
1 1 1 5  2  38 o 19 4.07228e+01 2.08241e+01 1.48717e+01 0.756   1.06390e+00  1.40381e-02  0.00000e+00 0.00000e+00 2.04566e+01 0.756   5.58496e+00 0.756   0.4686 
1 1 1 5  2  39 o 9  5.82965e+01 2.88175e+01 7.84869e+00 47.928  3.38303e-01  3.74780e-01  0.00000e+00 0.00000e+00 1.90812e+01 47.928  1.12325e+01 47.928  0.2447 
1 1 1 5  3  0  o 14 9.31051e+02 4.13265e+01 6.79479e+02 270.000 -4.02002e-16 -6.56520e+00 0.00000e+00 0.00000e+00 5.21300e+02 270.000 1.58179e+02 90.000  1.0000 
1 1 1 5  3  1  o 18 2.49116e+02 2.01334e+01 2.96822e+02 207.956 -1.35144e+00 -7.17242e-01 0.00000e+00 0.00000e+00 1.02890e+02 27.956  3.99712e+02 27.956  0.6035 
1 1 1 5  3  2  o 1  1.31881e+03 5.57996e+01 7.26620e+02 123.807 -1.03750e+01 1.54941e+01  0.00000e+00 0.00000e+00 9.29678e+02 123.807 2.03057e+02 123.807 0.9728 
1 1 1 5  3  3  o 6  2.03326e+02 1.36710e+01 9.62729e+01 149.129 -3.25106e-01 1.94348e-01  0.00000e+00 0.00000e+00 4.73695e+01 329.129 1.43642e+02 329.129 0.1861 
1 1 1 5  3  4  o 1  1.18287e+03 2.88674e+01 4.45880e+02 322.177 1.20110e+01  -9.32432e+00 0.00000e+00 0.00000e+00 1.03459e+03 322.177 5.88706e+02 322.177 0.9665 
1 1 1 5  3  5  o 8  4.41785e+02 1.42445e+01 2.55078e+02 324.884 2.51149e+00  -1.76616e+00 0.00000e+00 0.00000e+00 2.12254e+02 324.884 4.28237e+01 144.884 0.8151 
1 1 1 5  3  6  o 1  6.73036e+02 1.58726e+01 6.30420e+02 321.313 8.27730e+00  -6.62838e+00 0.00000e+00 0.00000e+00 2.03132e+02 321.313 4.27288e+02 141.313 0.9516 
1 1 1 5  3  7  o 3  5.73552e+02 1.65444e+01 2.38501e+02 233.828 -1.85618e+00 -2.53875e+00 0.00000e+00 0.00000e+00 3.75722e+02 233.828 1.37222e+02 233.828 0.8202 
1 1 1 5  3  8  o 8  1.67513e+03 3.99944e+01 1.11295e+03 138.435 -3.16258e+01 2.80444e+01  0.00000e+00 0.00000e+00 1.05651e+03 138.435 5.64355e+01 318.435 0.9881 
1 1 1 5  3  9  o 14 1.13240e+03 2.41184e+01 6.18446e+02 22.861  2.50597e+01  1.05657e+01  0.00000e+00 0.00000e+00 8.44487e+02 22.861  2.26040e+02 22.861  0.9814 
1 1 1 5  3  10 o 4  7.42859e+02 3.46646e+01 4.73526e+02 275.126 1.54519e+00  -1.72252e+01 0.00000e+00 0.00000e+00 4.80169e+02 275.126 6.64274e+00 275.126 0.9706 
1 1 1 5  3  11 o 15 5.22767e+02 1.37354e+01 2.56935e+02 200.845 -6.98499e+00 -2.65958e+00 0.00000e+00 0.00000e+00 3.89844e+02 200.845 1.32909e+02 200.845 0.9305 
1 1 1 5  3  12 o 17 3.63269e+02 1.17486e+01 7.93467e+01 138.959 -1.35389e+00 1.17863e+00  0.00000e+00 0.00000e+00 2.41829e+02 138.959 1.62483e+02 138.959 0.6611 
1 1 1 5  3  13 o 3  6.97936e+02 1.92885e+01 5.11194e+02 169.922 -2.33967e+01 4.15816e+00  0.00000e+00 0.00000e+00 4.08148e+02 169.922 1.03046e+02 349.922 0.9787 
1 1 1 5  3  14 f 0  2.16047e+02 1.11990e+01 3.39033e+02 95.325  -6.28464e-01 6.74219e+00  0.00000e+00 0.00000e+00 6.88527e+01 275.325 4.07886e+02 275.325 0.9229 
1 1 1 5  3  15 o 3  1.82762e+02 1.20218e+01 1.93586e+02 347.538 3.05379e+00  -6.74895e-01 0.00000e+00 0.00000e+00 1.07273e+01 347.538 1.82858e+02 167.538 0.8190 
1 1 1 5  3  16 o 19 2.02892e+02 1.21890e+01 1.41301e+02 300.276 1.50257e+00  -2.57377e+00 0.00000e+00 0.00000e+00 8.43730e+01 300.276 5.69282e+01 120.276 0.8085 
1 1 1 5  3  17 o 1  1.55153e+02 1.41555e+01 5.41400e+01 307.940 7.74770e-01  -9.93818e-01 0.00000e+00 0.00000e+00 6.01499e+01 307.940 6.00990e+00 307.940 0.5310 
1 1 1 5  3  18 o 3  3.40564e+02 1.33910e+01 1.56224e+02 12.815  8.26470e+00  1.87994e+00  0.00000e+00 0.00000e+00 2.91329e+02 12.815  1.35105e+02 12.815  0.9390 
1 1 1 5  3  19 o 4  2.52993e+02 1.67266e+01 2.69681e+02 288.436 3.38101e+00  -1.01424e+01 0.00000e+00 0.00000e+00 7.05553e+01 288.436 1.99126e+02 108.436 0.9520 
1 1 1 5  3  20 o 7  3.04562e+02 3.35653e+01 6.64287e+01 188.012 -3.28733e+00 -4.62683e-01 0.00000e+00 0.00000e+00 2.94672e+02 188.012 2.28243e+02 188.012 0.8311 
1 1 1 5  3  21 o 3  1.00097e+02 2.98824e+01 1.25145e+02 119.596 -1.11895e+00 1.97000e+00  0.00000e+00 0.00000e+00 1.88233e+01 299.596 1.43969e+02 299.596 0.7369 
1 1 1 5  3  22 o 1  1.92746e+02 2.16177e+01 1.61389e+02 148.305 -5.74044e+00 3.54472e+00  0.00000e+00 0.00000e+00 9.77250e+01 148.305 6.36642e+01 328.305 0.9226 
1 1 1 5  3  23 o 19 1.76429e+02 2.17178e+01 1.00127e+02 168.393 -3.79842e+00 7.80203e-01  0.00000e+00 0.00000e+00 1.23134e+02 168.393 2.30069e+01 168.393 0.8587 
1 1 1 5  3  24 o 4  4.31892e+02 1.89930e+01 2.73396e+02 319.706 1.61466e+01  -1.36904e+01 0.00000e+00 0.00000e+00 3.55295e+02 319.706 8.18989e+01 319.706 0.9761 
1 1 1 5  3  25 o 9  3.06862e+02 2.38418e+01 1.85691e+02 59.633  5.74646e+00  9.80738e+00  0.00000e+00 0.00000e+00 2.56757e+02 59.633  7.10656e+01 59.633  0.9549 
1 1 1 5  3  26 o 7  1.00277e+02 3.40883e+01 1.57321e+02 67.295  1.27929e+00  3.05752e+00  0.00000e+00 0.00000e+00 2.99071e+01 247.295 1.87228e+02 247.295 0.8308 
1 1 1 5  3  27 o 7  2.00617e+02 2.35499e+01 5.29626e+01 266.013 -2.42682e-01 -3.48158e+00 0.00000e+00 0.00000e+00 2.08421e+02 266.013 1.55458e+02 266.013 0.8406 
1 1 1 5  3  28 o 2  1.11519e+02 3.22471e+01 4.71992e+01 18.391  1.53549e+00  5.10512e-01  0.00000e+00 0.00000e+00 6.21699e+01 18.391  1.49707e+01 18.391  0.6240 
1 1 1 5  3  29 o 3  1.51994e+02 2.71680e+01 7.13679e+01 273.179 2.49529e-01  -4.49311e+00 0.00000e+00 0.00000e+00 1.41971e+02 273.179 7.06034e+01 273.179 0.8803 
1 1 1 5  3  30 o 14 1.12019e+02 2.84501e+01 7.00087e+01 219.399 -2.83963e+00 -2.33239e+00 0.00000e+00 0.00000e+00 8.40308e+01 219.399 1.40221e+01 219.399 0.8497 
1 1 1 5  3  31 o 5  6.84472e+01 2.84605e+01 8.81814e+01 100.132 -5.08134e-01 2.84334e+00  0.00000e+00 0.00000e+00 1.96205e+00 100.132 8.62194e+01 280.132 0.8014 
1 1 1 5  3  32 o 12 7.04034e+01 3.19667e+01 3.97544e+01 135.707 -1.10269e+00 1.07581e+00  0.00000e+00 0.00000e+00 3.14823e+01 135.707 8.27207e+00 315.707 0.6060 
1 1 1 5  3  33 o 4  8.27701e+01 3.29278e+01 4.79107e+01 141.486 -1.97701e+00 1.57340e+00  0.00000e+00 0.00000e+00 5.99635e+01 141.486 1.20528e+01 141.486 0.7679 
1 1 1 5  3  34 f 0  7.82238e+01 3.58969e+01 2.40457e+01 44.735  8.49159e-01  8.41333e-01  0.00000e+00 0.00000e+00 4.50020e+01 44.735  2.09563e+01 44.735  0.5113 
1 1 1 5  3  35 o 6  7.09782e+01 3.19750e+01 5.02600e+01 329.095 2.33367e+00  -1.39696e+00 0.00000e+00 0.00000e+00 4.78504e+01 329.095 2.40957e+00 149.095 0.7869 
1 1 1 5  3  36 o 14 5.06243e+01 2.51379e+01 1.81107e+01 352.405 1.08745e+00  -1.45003e-01 0.00000e+00 0.00000e+00 2.53186e+01 352.405 7.20792e+00 352.405 0.4797 
1 1 1 5  3  37 o 6  5.71568e+01 2.80376e+01 1.78770e+01 217.229 -8.80231e-01 -6.68837e-01 0.00000e+00 0.00000e+00 3.23587e+01 217.229 1.44818e+01 217.229 0.4825 
1 1 1 5  3  38 f 0  5.03521e+01 2.52811e+01 1.38109e+01 87.810  3.54721e-02  9.27375e-01  0.00000e+00 0.00000e+00 2.54745e+01 87.810  1.16636e+01 87.810  0.4203 
1 1 1 5  4  0  o 4  1.07580e+03 4.65792e+01 8.37706e+02 90.000  5.32987e-16  8.70434e+00  0.00000e+00 0.00000e+00 5.54955e+02 90.000  2.82751e+02 270.000 1.0000 
1 1 1 5  4  1  o 15 5.85588e+02 2.90291e+01 2.45467e+02 334.266 2.48794e+00  -1.19921e+00 0.00000e+00 0.00000e+00 3.54094e+02 334.266 1.08627e+02 334.266 0.7907 
1 1 1 5  4  2  o 19 9.88445e+02 4.31760e+01 7.94740e+02 231.648 -9.02524e+00 -1.14067e+01 0.00000e+00 0.00000e+00 4.41278e+02 231.648 3.53462e+02 51.648  0.9650 
1 1 1 5  4  3  o 1  1.21085e+03 3.64221e+01 6.21806e+02 218.089 -1.68175e+01 -1.31813e+01 0.00000e+00 0.00000e+00 9.12028e+02 218.089 2.90221e+02 218.089 0.9763 
1 1 1 5  4  4  o 11 7.45932e+02 1.97747e+01 3.00764e+02 134.152 -4.27999e+00 4.40864e+00  0.00000e+00 0.00000e+00 5.85921e+02 134.152 2.85157e+02 134.152 0.9145 
1 1 1 5  4  5  o 4  7.36732e+02 1.96432e+01 4.47616e+02 31.125  7.25478e+00  4.38073e+00  0.00000e+00 0.00000e+00 4.53596e+02 31.125  5.97988e+00 31.125  0.9390 
1 1 1 5  4  6  o 5  5.19912e+02 1.35289e+01 4.03731e+02 53.027  3.00204e+00  3.98773e+00  0.00000e+00 0.00000e+00 2.02901e+02 53.027  2.00829e+02 233.027 0.8932 
1 1 1 5  4  7  o 17 1.84392e+03 4.36349e+01 1.39659e+03 343.493 5.79903e+01  -1.71855e+01 0.00000e+00 0.00000e+00 1.00004e+03 343.493 3.96542e+02 163.493 0.9917 
1 1 1 5  4  8  o 1  1.30417e+03 3.16176e+01 6.78403e+02 269.328 -2.27616e-01 -1.94204e+01 0.00000e+00 0.00000e+00 9.92577e+02 269.328 3.14174e+02 269.328 0.9739 
1 1 1 5  4  9  o 8  1.44063e+03 2.99863e+01 9.64382e+02 174.068 -5.13086e+01 5.33141e+00  0.00000e+00 0.00000e+00 9.20498e+02 174.068 4.38845e+01 354.068 0.9903 
1 1 1 5  4  10 o 16 1.24443e+03 3.73470e+01 9.09523e+02 60.419  2.64320e+01  4.65639e+01  0.00000e+00 0.00000e+00 7.27073e+02 60.419  1.82451e+02 240.419 0.9906 
1 1 1 5  4  11 o 8  2.85383e+02 1.08797e+01 1.11001e+02 140.171 -1.31735e+00 1.09869e+00  0.00000e+00 0.00000e+00 1.34687e+02 140.171 2.36859e+01 140.171 0.6450 
1 1 1 5  4  12 o 2  8.05280e+02 1.83562e+01 5.50057e+02 136.730 -2.27893e+01 2.14529e+01  0.00000e+00 0.00000e+00 5.13541e+02 136.730 3.65158e+01 316.730 0.9839 
1 1 1 5  4  13 o 12 5.36463e+02 1.40989e+01 4.43649e+02 334.691 1.95023e+01  -9.22236e+00 0.00000e+00 0.00000e+00 2.64054e+02 334.691 1.79595e+02 154.691 0.9765 
1 1 1 5  4  14 o 2  4.08920e+02 1.25693e+01 1.51969e+02 186.224 -5.58052e+00 -6.08564e-01 0.00000e+00 0.00000e+00 3.51878e+02 186.224 1.99909e+02 186.224 0.9059 
1 1 1 5  4  15 f 0  4.87311e+02 1.37561e+01 2.90301e+02 140.917 -1.27845e+01 1.03835e+01  0.00000e+00 0.00000e+00 3.56768e+02 140.917 6.64678e+01 140.917 0.9691 
1 1 1 5  4  16 o 19 4.30153e+02 1.53018e+01 3.61157e+02 320.561 1.21908e+01  -1.00277e+01 0.00000e+00 0.00000e+00 2.13689e+02 320.561 1.47468e+02 140.561 0.9678 
1 1 1 5  4  17 o 1  2.33585e+02 1.27043e+01 1.04534e+02 285.867 9.90719e-01  -3.48555e+00 0.00000e+00 0.00000e+00 1.71048e+02 285.867 6.65138e+01 285.867 0.8473 
1 1 1 5  4  18 o 9  3.86058e+02 1.36575e+01 2.42977e+02 151.476 -1.07546e+01 5.84500e+00  0.00000e+00 0.00000e+00 2.76687e+02 151.476 3.37102e+01 151.476 0.9582 
1 1 1 5  4  19 o 8  4.94102e+02 2.22294e+01 2.20229e+02 65.693  8.55226e+00  1.89348e+01  0.00000e+00 0.00000e+00 4.63290e+02 65.693  2.43061e+02 65.693  0.9756 
1 1 1 5  4  20 o 8  2.72524e+02 3.49750e+01 2.80547e+02 167.322 -1.31838e+01 2.96582e+00  0.00000e+00 0.00000e+00 9.49583e+01 167.322 1.85589e+02 347.322 0.9623 
1 1 1 5  4  21 o 18 1.31584e+02 2.26469e+01 1.50928e+02 282.130 8.37492e-01  -3.89656e+00 0.00000e+00 0.00000e+00 1.33601e+01 282.130 1.37567e+02 102.130 0.8630 
1 1 1 5  4  22 o 5  5.32699e+02 2.39734e+01 2.93510e+02 347.177 3.22475e+01  -7.33984e+00 0.00000e+00 0.00000e+00 4.73733e+02 347.177 1.80223e+02 347.177 0.9848 
1 1 1 5  4  23 o 6  3.18250e+02 1.70761e+01 1.55900e+02 200.169 -1.04506e+01 -3.83857e+00 0.00000e+00 0.00000e+00 2.93210e+02 200.169 1.37310e+02 200.169 0.9540 
1 1 1 5  4  24 o 13 2.87954e+02 1.81974e+01 1.58979e+02 325.896 8.36803e+00  -5.66640e+00 0.00000e+00 0.00000e+00 2.50145e+02 325.896 9.11664e+01 325.896 0.9492 
1 1 1 5  4  25 o 7  3.56738e+02 1.99505e+01 1.07180e+02 168.544 -7.62629e+00 1.54543e+00  0.00000e+00 0.00000e+00 3.97423e+02 168.544 2.90243e+02 168.544 0.9333 
1 1 1 5  4  26 o 11 2.87825e+02 2.00068e+01 1.60309e+02 125.890 -7.49064e+00 1.03517e+01  0.00000e+00 0.00000e+00 2.63883e+02 125.890 1.03574e+02 125.890 0.9600 
1 1 1 5  4  28 o 4  1.30739e+02 3.04159e+01 6.44937e+01 272.137 9.89911e-02  -2.65321e+00 0.00000e+00 0.00000e+00 9.65533e+01 272.137 3.20596e+01 272.137 0.7809 
1 1 1 5  4  29 o 12 1.80843e+02 2.36713e+01 7.75588e+01 222.362 -4.55107e+00 -4.15022e+00 0.00000e+00 0.00000e+00 1.87186e+02 222.362 1.09627e+02 222.362 0.9148 
1 1 1 5  4  30 o 3  1.35774e+02 2.46616e+01 3.99832e+01 3.511   2.73955e+00  1.68063e-01  0.00000e+00 0.00000e+00 1.34067e+02 3.511   9.40841e+01 3.511   0.7892 
1 1 1 5  4  31 o 13 1.00727e+02 3.60463e+01 9.49500e+01 85.319  3.12212e-01  3.81337e+00  0.00000e+00 0.00000e+00 4.73568e+01 85.319  4.75932e+01 265.319 0.8565 
1 1 1 5  4  32 o 8  8.48471e+01 3.13696e+01 5.90050e+01 61.553  1.38287e+00  2.55260e+00  0.00000e+00 0.00000e+00 5.51180e+01 61.553  3.88701e+00 241.553 0.8026 
1 1 1 5  4  33 o 15 5.89634e+01 2.73187e+01 6.99093e+01 157.886 -2.96881e+00 1.20637e+00  0.00000e+00 0.00000e+00 1.28675e+01 157.886 5.70418e+01 337.886 0.8240 
1 1 1 5  4  34 o 19 6.16043e+01 3.02030e+01 6.32229e+01 251.427 -9.90543e-01 -2.94801e+00 0.00000e+00 0.00000e+00 2.40687e+01 251.427 3.91541e+01 71.427  0.8178 
1 1 1 5  4  35 o 16 5.95160e+01 2.83728e+01 6.02321e+01 338.933 2.97652e+00  -1.14659e+00 0.00000e+00 0.00000e+00 2.61359e+01 338.933 3.40962e+01 158.933 0.8231 
1 1 1 5  4  36 o 14 6.25426e+01 2.96991e+01 1.99844e+01 71.522  3.68732e-01  1.10346e+00  0.00000e+00 0.00000e+00 3.62926e+01 71.522  1.63083e+01 71.522  0.5013 
1 1 1 5  4  37 f 0  5.54891e+01 2.72038e+01 2.42980e+00 82.267  2.04992e-02  1.50964e-01  0.00000e+00 0.00000e+00 5.27576e+00 82.267  2.84595e+00 82.267  0.0760 
1 1 1 5  4  38 o 13 5.69882e+01 2.80802e+01 3.43498e+01 157.981 -2.03734e+00 8.23912e-01  0.00000e+00 0.00000e+00 4.29173e+01 157.981 8.56753e+00 157.981 0.7277 
1 1 1 5  5  0  o 9  4.34170e+02 2.46402e+01 5.35125e+02 90.000  2.04014e-16  3.33181e+00  0.00000e+00 0.00000e+00 2.81849e+01 90.000  5.06940e+02 270.000 0.9975 
1 1 1 5  5  1  o 6  1.83632e+02 1.93218e+01 2.14375e+02 245.217 -4.69054e-01 -1.01592e+00 0.00000e+00 0.00000e+00 9.80293e+01 65.217  3.12404e+02 65.217  0.4870 
1 1 1 5  5  2  o 4  7.53094e+02 3.46712e+01 4.43283e+02 165.154 -8.83477e+00 2.34182e+00  0.00000e+00 0.00000e+00 4.81990e+02 165.154 3.87069e+01 165.154 0.9436 
1 1 1 5  5  3  o 8  1.72900e+02 1.34186e+01 1.08512e+02 157.498 -4.65996e-01 1.93043e-01  0.00000e+00 0.00000e+00 5.33977e+01 337.498 1.61910e+02 337.498 0.2445 
1 1 1 5  5  4  o 4  8.46414e+02 2.17881e+01 5.33900e+02 304.556 6.47533e+00  -9.40213e+00 0.00000e+00 0.00000e+00 5.21946e+02 304.556 1.19541e+01 124.556 0.9551 
1 1 1 5  5  5  o 6  7.84610e+02 2.05909e+01 3.83130e+02 3.928   7.14872e+00  4.90812e-01  0.00000e+00 0.00000e+00 5.69282e+02 3.928   1.86152e+02 3.928   0.9273 
1 1 1 5  5  6  o 7  1.68337e+03 4.01211e+01 1.02891e+03 214.793 -3.41376e+01 -2.37205e+01 0.00000e+00 0.00000e+00 1.15397e+03 214.793 1.25057e+02 214.793 0.9879 
1 1 1 5  5  7  f 0  1.17759e+03 2.88597e+01 9.31864e+02 155.580 -2.25788e+01 1.02516e+01  0.00000e+00 0.00000e+00 5.87346e+02 155.580 3.44518e+02 335.580 0.9796 
1 1 1 5  5  8  o 10 1.67597e+03 3.45217e+01 1.20094e+03 10.552  7.54139e+01  1.40475e+01  0.00000e+00 0.00000e+00 1.00007e+03 10.552  2.00874e+02 190.552 0.9935 
1 1 1 5  5  9  o 19 1.71693e+03 3.53366e+01 1.16328e+03 323.295 7.90799e+01  -5.89540e+01 0.00000e+00 0.00000e+00 1.10453e+03 323.295 5.87520e+01 143.295 0.9949 
1 1 1 5  5  10 o 6  9.34299e+02 2.37866e+01 6.23734e+02 193.947 -3.14719e+01 -7.81588e+00 0.00000e+00 0.00000e+00 6.03228e+02 193.947 2.05058e+01 13.947  0.9845 
1 1 1 5  5  11 o 18 9.82413e+01 1.38777e+01 5.84461e+01 147.543 -3.07195e-01 1.95382e-01  0.00000e+00 0.00000e+00 3.48526e+01 327.543 9.32988e+01 327.543 0.1791 
1 1 1 5  5  12 o 3  9.01125e+02 2.00695e+01 7.12066e+02 143.669 -3.52487e+01 2.59221e+01  0.00000e+00 0.00000e+00 4.89454e+02 143.669 2.22613e+02 323.669 0.9885 
1 1 1 5  5  13 o 7  7.62375e+02 2.04399e+01 5.52926e+02 11.306  3.59212e+01  7.18138e+00  0.00000e+00 0.00000e+00 4.67690e+02 11.306  8.52362e+01 191.306 0.9863 
1 1 1 5  5  14 o 11 7.13793e+02 1.70393e+01 5.61928e+02 9.447   3.57720e+01  5.95212e+00  0.00000e+00 0.00000e+00 4.00042e+02 9.447   1.61886e+02 189.447 0.9861 
1 1 1 5  5  15 o 16 2.86424e+02 1.18321e+01 1.73353e+02 167.623 -5.53768e+00 1.21521e+00  0.00000e+00 0.00000e+00 1.84253e+02 167.623 1.08993e+01 167.623 0.9069 
1 1 1 5  5  16 o 17 3.24111e+02 1.23408e+01 1.80221e+02 255.380 -1.90204e+00 -7.29166e+00 0.00000e+00 0.00000e+00 2.38484e+02 255.380 5.82626e+01 255.380 0.9311 
1 1 1 5  5  17 o 15 3.43792e+02 1.30481e+01 2.43766e+02 191.256 -1.35800e+01 -2.70266e+00 0.00000e+00 0.00000e+00 2.19523e+02 191.256 2.42433e+01 11.256  0.9632 
1 1 1 5  5  18 o 10 2.28065e+02 1.64526e+01 1.45715e+02 143.526 -3.40357e+00 2.51611e+00  0.00000e+00 0.00000e+00 1.34963e+02 143.526 1.07525e+01 323.526 0.8719 
1 1 1 5  5  19 o 18 1.99355e+02 1.80020e+01 6.77892e+01 62.998  1.18172e+00  2.31901e+00  0.00000e+00 0.00000e+00 1.52537e+02 62.998  8.47481e+01 62.998  0.7757 
1 1 1 5  5  20 o 3  2.37381e+02 3.71734e+01 1.40820e+02 197.228 -5.46596e+00 -1.69494e+00 0.00000e+00 0.00000e+00 1.69244e+02 197.228 2.84248e+01 197.228 0.9078 
1 1 1 5  5  21 o 1  2.99656e+02 1.72753e+01 1.43066e+02 107.956 -2.70545e+00 8.34821e+00  0.00000e+00 0.00000e+00 2.66936e+02 107.956 1.23870e+02 107.956 0.9412 
1 1 1 5  5  22 o 17 8.33993e+01 3.15489e+01 4.28631e+01 294.517 2.89743e-01  -6.35293e-01 0.00000e+00 0.00000e+00 2.48516e+00 114.517 4.53483e+01 114.517 0.3294 
1 1 1 5  5  23 o 5  2.46024e+02 1.91159e+01 1.37076e+02 342.272 5.39510e+00  -1.72471e+00 0.00000e+00 0.00000e+00 1.94529e+02 342.272 5.74529e+01 342.272 0.9068 
1 1 1 5  5  24 o 15 1.52081e+02 2.76074e+01 1.34567e+02 45.585  2.92743e+00  2.98786e+00  0.00000e+00 0.00000e+00 6.44899e+01 45.585  7.00769e+01 225.585 0.8702 
1 1 1 5  5  25 o 14 3.04598e+02 4.88380e+01 1.42345e+02 265.284 -5.58854e-01 -6.77427e+00 0.00000e+00 0.00000e+00 2.85874e+02 265.284 1.43529e+02 265.284 0.9232 
1 1 1 5  5  26 o 18 3.37669e+02 3.19149e+01 1.78908e+02 295.760 6.38482e+00  -1.32311e+01 0.00000e+00 0.00000e+00 3.23901e+02 295.760 1.44993e+02 295.760 0.9653 
1 1 1 5  5  27 o 15 6.16469e+01 2.80044e+01 3.99771e+01 106.445 -2.01479e-01 6.82594e-01  0.00000e+00 0.00000e+00 7.68579e+00 286.445 4.76629e+01 286.445 0.3351 
1 1 1 5  5  28 o 15 1.72718e+02 2.96396e+01 9.16149e+01 180.714 -6.09960e+00 -7.59866e-02 0.00000e+00 0.00000e+00 1.58586e+02 180.714 6.69713e+01 180.714 0.9139 
1 1 1 5  5  29 o 5  7.18424e+01 2.91367e+01 5.92373e+01 181.865 -1.65355e+00 -5.38562e-02 0.00000e+00 0.00000e+00 1.37817e+01 181.865 4.54556e+01 1.865   0.6321 
1 1 1 5  5  30 o 10 1.40066e+02 2.52676e+01 8.96577e+01 71.807  2.15797e+00  6.56612e+00  0.00000e+00 0.00000e+00 1.21700e+02 71.807  3.20424e+01 71.807  0.9245 
1 1 1 5  5  31 o 1  1.17879e+02 3.59658e+01 6.49356e+01 277.852 4.33094e-01  -3.14053e+00 0.00000e+00 0.00000e+00 9.56325e+01 277.852 3.06969e+01 277.852 0.8218 
1 1 1 5  5  32 o 4  6.40590e+01 2.77760e+01 3.46661e+01 162.911 -1.36757e+00 4.20427e-01  0.00000e+00 0.00000e+00 2.77440e+01 162.911 6.92210e+00 342.911 0.5785 
1 1 1 5  5  33 o 7  5.98231e+01 2.76547e+01 4.19237e+01 50.380  1.27025e+00  1.53439e+00  0.00000e+00 0.00000e+00 2.93977e+01 50.380  1.25260e+01 230.380 0.6964 
1 1 1 5  5  34 o 5  7.94622e+01 3.38790e+01 6.28730e+01 337.118 3.10432e+00  -1.31017e+00 0.00000e+00 0.00000e+00 5.25036e+01 337.118 1.03693e+01 157.118 0.8340 
1 1 1 5  5  35 o 7  6.20456e+01 2.91822e+01 1.29969e+01 130.444 -4.47418e-01 5.24900e-01  0.00000e+00 0.00000e+00 2.28201e+01 130.444 9.82324e+00 130.444 0.3259 
1 1 1 5  5  36 o 12 5.66968e+01 2.75151e+01 2.62702e+01 144.486 -1.25535e+00 8.95905e-01  0.00000e+00 0.00000e+00 3.57387e+01 144.486 9.46854e+00 144.486 0.6064 
1 1 1 5  5  37 o 2  5.40671e+01 2.67359e+01 1.62504e+01 239.760 -5.06614e-01 -8.69049e-01 0.00000e+00 0.00000e+00 2.82960e+01 239.760 1.20456e+01 239.760 0.4485 
1 1 1 5  5  38 o 12 4.21084e+01 2.15228e+01 1.99440e+01 237.023 -7.92818e-01 -1.22190e+00 0.00000e+00 0.00000e+00 2.61902e+01 237.023 6.24623e+00 237.023 0.5852 
1 1 1 5  6  0  f 0  9.89691e+02 3.04752e+01 4.78125e+02 90.000  3.78672e-16  6.18418e+00  0.00000e+00 0.00000e+00 8.16783e+02 90.000  3.38657e+02 90.000  1.0000 
1 1 1 5  6  1  o 7  2.13194e+02 1.37904e+01 3.26269e+02 265.157 -1.53163e-01 -1.80759e+00 0.00000e+00 0.00000e+00 1.40793e+02 85.157  4.67063e+02 85.157  0.6648 
1 1 1 5  6  2  o 17 7.35794e+02 3.40888e+01 4.57736e+02 258.450 -1.68124e+00 -8.22688e+00 0.00000e+00 0.00000e+00 4.46606e+02 258.450 1.11298e+01 78.450  0.9384 
1 1 1 5  6  3  o 1  8.75649e+02 2.74981e+01 6.99997e+02 101.537 -2.97735e+00 1.45853e+01  0.00000e+00 0.00000e+00 4.09046e+02 101.537 2.90952e+02 281.537 0.9658 
1 1 1 5  6  4  o 5  8.59888e+02 2.20988e+01 3.19243e+02 345.198 6.19304e+00  -1.63653e+00 0.00000e+00 0.00000e+00 7.18023e+02 345.198 3.98780e+02 345.198 0.9182 
1 1 1 5  6  5  o 7  8.63916e+02 2.22003e+01 7.72449e+02 314.056 1.12561e+01  -1.16334e+01 0.00000e+00 0.00000e+00 3.29339e+02 314.056 4.43110e+02 134.056 0.9686 
1 1 1 5  6  6  o 11 1.32080e+03 3.92809e+01 8.06892e+02 73.840  6.66096e+00  2.29878e+01  0.00000e+00 0.00000e+00 9.00186e+02 73.840  9.32937e+01 73.840  0.9789 
1 1 1 5  6  7  o 13 7.09642e+02 1.90902e+01 4.73425e+02 246.868 -5.21019e+00 -1.21963e+01 0.00000e+00 0.00000e+00 4.30455e+02 246.868 4.29702e+01 66.868  0.9615 
1 1 1 5  6  8  o 18 4.69841e+02 1.28898e+01 2.69244e+02 188.282 -6.55338e+00 -9.53894e-01 0.00000e+00 0.00000e+00 3.06183e+02 188.282 3.69393e+01 188.282 0.9211 
1 1 1 5  6  9  o 14 5.27988e+02 1.37316e+01 3.99379e+02 18.524  1.16102e+01  3.89008e+00  0.00000e+00 0.00000e+00 2.76266e+02 18.524  1.23113e+02 198.524 0.9583 
1 1 1 5  6  10 o 4  8.24741e+02 1.86487e+01 6.87683e+02 194.438 -2.94096e+01 -7.57192e+00 0.00000e+00 0.00000e+00 4.00597e+02 194.438 2.87087e+02 14.438  0.9834 
1 1 1 5  6  11 o 12 7.88851e+02 2.09500e+01 3.89173e+02 90.729  -2.75820e-01 2.16837e+01  0.00000e+00 0.00000e+00 6.50112e+02 90.729  2.60939e+02 90.729  0.9767 
1 1 1 5  6  12 o 13 5.55212e+02 1.43742e+01 4.10017e+02 338.495 1.93968e+01  -7.64241e+00 0.00000e+00 0.00000e+00 3.24997e+02 338.495 8.50194e+01 158.495 0.9757 
1 1 1 5  6  13 o 5  3.41712e+02 1.17486e+01 8.79933e+01 223.892 -1.99114e+00 -1.91560e+00 0.00000e+00 0.00000e+00 2.80973e+02 223.892 1.92979e+02 223.892 0.7908 
1 1 1 5  6  14 o 6  5.32130e+02 1.42396e+01 3.72171e+02 211.762 -1.48473e+01 -9.19202e+00 0.00000e+00 0.00000e+00 3.38086e+02 211.762 3.40852e+01 31.762  0.9709 
1 1 1 5  6  15 o 8  2.96057e+02 1.19514e+01 3.17499e+02 309.168 6.21243e+00  -7.62584e+00 0.00000e+00 0.00000e+00 7.10432e+01 309.168 2.46455e+02 129.168 0.9477 
1 1 1 5  6  16 o 11 3.86062e+02 1.45580e+01 3.40926e+02 44.304  1.17973e+01  1.15141e+01  0.00000e+00 0.00000e+00 1.81279e+02 44.304  1.59647e+02 224.304 0.9692 
1 1 1 5  6  17 o 19 4.25112e+02 1.36963e+01 2.66605e+02 112.183 -6.90398e+00 1.69322e+01  0.00000e+00 0.00000e+00 3.15069e+02 112.183 4.84634e+01 112.183 0.9723 
1 1 1 5  6  18 o 14 2.00011e+02 1.69844e+01 6.68835e+01 183.468 -2.12429e+00 -1.28755e-01 0.00000e+00 0.00000e+00 1.36938e+02 183.468 7.00541e+01 183.468 0.7177 
1 1 1 5  6  19 o 14 3.54664e+02 1.65632e+01 3.29650e+02 165.519 -2.10110e+01 5.42630e+00  0.00000e+00 0.00000e+00 1.66770e+02 165.519 1.62879e+02 345.519 0.9767 
1 1 1 5  6  20 o 8  9.62493e+01 2.60772e+01 6.76692e+01 3.021   1.23248e+00  6.50372e-02  0.00000e+00 0.00000e+00 5.21823e+00 3.021   6.24509e+01 183.021 0.5232 
1 1 1 5  6  21 f 0  2.74855e+02 1.81521e+01 1.21966e+02 5.053   7.95890e+00  7.03705e-01  0.00000e+00 0.00000e+00 2.53894e+02 5.053   1.31929e+02 5.053   0.9352 
1 1 1 5  6  22 o 2  1.97058e+02 3.82726e+01 1.54466e+02 253.040 -1.60620e+00 -5.26679e+00 0.00000e+00 0.00000e+00 1.08853e+02 253.040 4.56135e+01 73.040  0.9039 
1 1 1 5  6  23 o 3  3.48244e+02 1.73033e+01 1.84466e+02 247.457 -4.12348e+00 -9.93390e+00 0.00000e+00 0.00000e+00 3.11375e+02 247.457 1.26909e+02 247.457 0.9523 
1 1 1 5  6  24 o 10 1.44214e+02 2.90730e+01 9.27780e+01 89.784  9.37910e-03  2.48716e+00  0.00000e+00 0.00000e+00 7.38305e+01 89.784  1.89475e+01 269.784 0.7636 
1 1 1 5  6  25 o 11 1.88331e+02 2.70969e+01 1.27296e+02 198.036 -4.41160e+00 -1.43645e+00 0.00000e+00 0.00000e+00 1.27804e+02 198.036 5.08448e-01 198.036 0.8843 
1 1 1 5  6  26 o 10 2.12643e+02 2.88015e+01 1.49595e+02 333.755 7.84725e+00  -3.86894e+00 0.00000e+00 0.00000e+00 1.60870e+02 333.755 1.12746e+01 333.755 0.9410 
1 1 1 5  6  27 o 10 1.21200e+02 3.20473e+01 1.71666e+01 214.339 -5.21541e-01 -3.56294e-01 0.00000e+00 0.00000e+00 4.02072e+01 214.339 2.30406e+01 214.339 0.3010 
1 1 1 5  6  28 o 18 1.85964e+02 2.85088e+01 1.11403e+02 138.952 -6.51813e+00 5.67570e+00  0.00000e+00 0.00000e+00 1.67382e+02 138.952 5.59788e+01 138.952 0.9402 
1 1 1 5  6  29 o 13 1.88452e+02 2.78280e+01 1.12098e+02 330.584 7.28337e+00  -4.10673e+00 0.00000e+00 0.00000e+00 1.73870e+02 330.584 6.17718e+01 330.584 0.9381 
1 1 1 5  6  30 o 7  1.00517e+02 3.08594e+01 4.54372e+01 152.754 -1.94857e+00 1.00343e+00  0.00000e+00 0.00000e+00 7.45165e+01 152.754 2.90793e+01 152.754 0.7269 
1 1 1 5  6  31 f 0  1.82052e+02 2.32011e+01 9.15026e+01 107.893 -3.42225e+00 1.06000e+01  0.00000e+00 0.00000e+00 1.98055e+02 107.893 1.06552e+02 107.893 0.9540 
1 1 1 5  6  32 o 11 9.71831e+01 3.21633e+01 6.78439e+01 220.208 -2.95874e+00 -2.50102e+00 0.00000e+00 0.00000e+00 7.34824e+01 220.208 5.63842e+00 220.208 0.8585 
1 1 1 5  6  33 o 2  5.69858e+01 2.66677e+01 8.69254e+01 303.573 2.24811e+00  -3.38709e+00 0.00000e+00 0.00000e+00 1.95134e+00 123.573 8.88767e+01 123.573 0.8660 
1 1 1 5  6  34 o 8  6.69112e+01 3.02851e+01 7.65503e+01 353.245 4.05818e+00  -4.80708e-01 0.00000e+00 0.00000e+00 2.50159e+01 353.245 5.15344e+01 173.245 0.8668 
1 1 1 5  6  35 o 5  6.73388e+01 3.27383e+01 5.93829e+01 124.817 -1.69996e+00 2.44440e+00  0.00000e+00 0.00000e+00 3.76105e+01 124.817 2.17724e+01 304.817 0.8083 
1 1 1 5  6  36 o 15 6.63713e+01 3.09450e+01 5.71884e+01 151.584 -2.88805e+00 1.56261e+00  0.00000e+00 0.00000e+00 4.26251e+01 151.584 1.45634e+01 331.584 0.8290 
1 1 1 5  6  37 o 3  7.03660e+01 3.29559e+01 1.93179e+01 210.151 -9.63027e-01 -5.59392e-01 0.00000e+00 0.00000e+00 4.37757e+01 210.151 2.44578e+01 210.151 0.4852 
1 1 1 5  6  38 o 3  6.37257e+01 3.08502e+01 2.17492e+01 310.178 8.60499e-01  -1.01904e+00 0.00000e+00 0.00000e+00 4.45264e+01 310.178 2.27772e+01 310.178 0.5523 
1 1 1 5  7  0  o 19 3.77707e+02 2.31936e+01 1.73096e+02 270.000 -4.73121e-17 -7.72664e-01 0.00000e+00 0.00000e+00 1.49606e+02 270.000 2.34905e+01 90.000  0.6485 
1 1 1 5  7  1  o 19 7.02202e+02 2.31864e+01 3.27710e+02 287.456 1.61480e+00  -5.13519e+00 0.00000e+00 0.00000e+00 5.06593e+02 287.456 1.78883e+02 287.456 0.9016 
1 1 1 5  7  2  o 8  1.57515e+02 1.94727e+01 1.70939e+02 162.157 -5.90115e-01 1.89954e-01  0.00000e+00 0.00000e+00 1.09455e+02 342.157 2.80394e+02 342.157 0.2960 
1 1 1 5  7  3  o 3  6.21418e+02 2.13374e+01 3.94918e+02 133.468 -4.13507e+00 4.36230e+00  0.00000e+00 0.00000e+00 3.53884e+02 133.468 4.10345e+01 313.468 0.9125 
1 1 1 5  7  4  o 17 3.75797e+02 1.32361e+01 3.48803e+02 109.569 -1.03783e+00 2.91949e+00  0.00000e+00 0.00000e+00 5.73454e+01 109.569 2.91458e+02 289.569 0.8170 
1 1 1 5  7  5  f 0  5.07283e+02 1.53994e+01 5.75548e+02 286.017 1.81170e+00  -6.31121e+00 0.00000e+00 0.00000e+00 4.34530e+01 286.017 5.32095e+02 106.017 0.9203 
1 1 1 5  7  6  o 13 8.35426e+01 1.48506e+01 2.35175e+02 205.511 -6.97954e-01 -3.33076e-01 0.00000e+00 0.00000e+00 1.95146e+02 25.511  4.30321e+02 25.511  0.3604 
1 1 1 5  7  7  f 0  5.16576e+02 1.34801e+01 3.61657e+02 33.537  8.17404e+00  5.41790e+00  0.00000e+00 0.00000e+00 2.91260e+02 33.537  7.03965e+01 213.537 0.9476 
1 1 1 5  7  8  o 15 1.29379e+03 2.72079e+01 8.39879e+02 243.872 -2.30945e+01 -4.70831e+01 0.00000e+00 0.00000e+00 8.75842e+02 243.872 3.59628e+01 243.872 0.9904 
1 1 1 5  7  9  o 7  7.38399e+02 1.71654e+01 5.58768e+02 113.869 -9.12320e+00 2.06178e+01  0.00000e+00 0.00000e+00 4.11878e+02 113.869 1.46890e+02 293.869 0.9776 
1 1 1 5  7  10 o 6  1.10881e+03 2.38083e+01 6.56070e+02 9.277   4.40129e+01  7.18954e+00  0.00000e+00 0.00000e+00 8.25206e+02 9.277   1.69136e+02 9.277   0.9887 
1 1 1 5  7  11 o 8  2.50582e+02 1.25563e+01 2.86540e+02 355.841 4.89247e+00  -3.55790e-01 0.00000e+00 0.00000e+00 1.67808e+01 355.841 2.69759e+02 175.841 0.8911 
1 1 1 5  7  12 o 17 4.10835e+01 1.52511e+01 3.36261e+01 224.969 -9.21604e-02 -9.20616e-02 0.00000e+00 0.00000e+00 2.99779e+01 44.969  6.36040e+01 44.969  0.0650 
1 1 1 5  7  13 o 18 4.51363e+02 1.30525e+01 2.61122e+02 22.167  9.98153e+00  4.06659e+00  0.00000e+00 0.00000e+00 3.29914e+02 22.167  6.87929e+01 22.167  0.9524 
1 1 1 5  7  14 o 5  4.79816e+02 1.35519e+01 2.93214e+02 164.886 -1.55940e+01 4.21157e+00  0.00000e+00 0.00000e+00 3.50078e+02 164.886 5.68636e+01 164.886 0.9685 
1 1 1 5  7  15 o 15 1.70832e+02 1.24922e+01 1.88674e+02 262.813 -5.26814e-01 -4.17792e+00 0.00000e+00 0.00000e+00 1.88489e+01 262.813 1.69826e+02 82.813  0.8712 
1 1 1 5  7  16 o 15 2.98365e+02 1.25955e+01 1.71779e+02 70.360  2.55114e+00  7.14882e+00  0.00000e+00 0.00000e+00 2.18846e+02 70.360  4.70668e+01 70.360  0.9316 
1 1 1 5  7  17 o 19 2.36397e+02 1.34162e+01 1.21846e+02 168.119 -3.68853e+00 7.76017e-01  0.00000e+00 0.00000e+00 1.64253e+02 168.119 4.24064e+01 168.119 0.8540 
1 1 1 5  7  18 o 10 2.47217e+02 1.64483e+01 9.20033e+01 172.135 -4.46172e+00 6.16333e-01  0.00000e+00 0.00000e+00 2.19183e+02 172.135 1.27180e+02 172.135 0.8805 
1 1 1 5  7  19 o 8  1.79000e+02 1.84352e+01 1.51142e+02 50.292  3.46943e+00  4.17769e+00  0.00000e+00 0.00000e+00 8.19816e+01 50.292  6.91604e+01 230.292 0.9025 
1 1 1 5  7  20 o 12 2.76292e+02 1.54353e+01 1.66370e+02 29.806  8.43316e+00  4.83095e+00  0.00000e+00 0.00000e+00 2.14967e+02 29.806  4.85971e+01 29.806  0.9471 
1 1 1 5  7  21 o 16 2.31779e+02 1.91588e+01 1.93024e+02 231.254 -6.20017e+00 -7.72643e+00 0.00000e+00 0.00000e+00 1.30554e+02 231.254 6.24698e+01 51.254  0.9481 
1 1 1 5  7  22 o 9  1.01944e+02 2.97329e+01 5.79340e+01 184.095 -1.21948e+00 -8.73091e-02 0.00000e+00 0.00000e+00 2.09330e+01 184.095 3.70009e+01 4.095   0.5197 
1 1 1 5  7  23 o 7  1.44067e+02 3.36303e+01 3.87184e+01 77.376  1.99736e-01  8.91791e-01  0.00000e+00 0.00000e+00 5.13038e+01 77.376  1.25854e+01 77.376  0.4150 
1 1 1 5  7  24 o 7  2.21345e+02 2.17189e+01 7.83746e+01 154.512 -3.20509e+00 1.52789e+00  0.00000e+00 0.00000e+00 2.06134e+02 154.512 1.27760e+02 154.512 0.8437 
1 1 1 5  7  25 o 6  3.05359e+02 2.04489e+01 1.93784e+02 346.116 1.38775e+01  -3.43022e+00 0.00000e+00 0.00000e+00 2.60422e+02 346.116 6.66376e+01 346.116 0.9644 
1 1 1 5  7  26 o 19 1.40333e+02 3.25109e+01 4.30822e+01 208.172 -1.56732e+00 -8.39400e-01 0.00000e+00 0.00000e+00 1.01126e+02 208.172 5.80435e+01 208.172 0.6577 
1 1 1 5  7  27 o 17 1.94979e+02 2.98758e+01 9.00282e+01 182.220 -5.45796e+00 -2.11543e-01 0.00000e+00 0.00000e+00 1.88786e+02 182.220 9.87579e+01 182.220 0.9031 
1 1 1 5  7  28 o 14 7.36071e+01 2.97120e+01 3.17378e+01 343.703 9.07655e-01  -2.65361e-01 0.00000e+00 0.00000e+00 1.87004e+01 343.703 1.30374e+01 163.703 0.4268 
1 1 1 5  7  29 o 6  1.04977e+02 2.91418e+01 9.54227e+01 219.940 -3.51914e+00 -2.94669e+00 0.00000e+00 0.00000e+00 5.55403e+01 219.940 3.98824e+01 39.941  0.8829 
1 1 1 5  7  30 f 0  1.41380e+02 3.54797e+01 4.42682e+01 258.316 -5.54993e-01 -2.68367e+00 0.00000e+00 0.00000e+00 1.40097e+02 258.316 9.58286e+01 258.316 0.7888 
1 1 1 5  7  31 o 14 1.41018e+02 2.77314e+01 9.65381e+01 51.222  5.02366e+00  6.25317e+00  0.00000e+00 0.00000e+00 1.24914e+02 51.222  2.83756e+01 51.222  0.9354 
1 1 1 5  7  32 o 1  9.13321e+01 3.19069e+01 3.23593e+01 41.991  1.39361e+00  1.25443e+00  0.00000e+00 0.00000e+00 7.29737e+01 41.991  4.06144e+01 41.991  0.6761 
1 1 1 5  7  33 o 11 6.45737e+01 2.89033e+01 4.83070e+00 95.187  -2.28689e-02 2.51915e-01  0.00000e+00 0.00000e+00 9.21779e+00 95.187  4.38709e+00 95.187  0.1255 
1 1 1 5  7  34 o 15 5.78776e+01 2.75159e+01 4.64174e+01 144.215 -1.94751e+00 1.40384e+00  0.00000e+00 0.00000e+00 3.05126e+01 144.215 1.59048e+01 324.215 0.7538 
1 1 1 5  7  35 o 13 7.23951e+01 3.44632e+01 2.13344e+01 184.979 -1.10564e+00 -9.63212e-02 0.00000e+00 0.00000e+00 4.15334e+01 184.979 2.01990e+01 184.979 0.4840 
1 1 1 5  7  36 o 1  6.95887e+01 3.21005e+01 2.17911e+01 290.419 4.43241e-01  -1.19062e+00 0.00000e+00 0.00000e+00 4.61008e+01 290.419 2.43097e+01 290.419 0.5341 
1 1 1 5  7  37 o 15 8.63788e+01 3.76773e+01 1.94273e+01 230.897 -7.13923e-01 -8.78398e-01 0.00000e+00 0.00000e+00 5.95203e+01 230.897 4.00930e+01 230.897 0.4912 
1 1 1 5  7  38 o 5  4.44572e+01 2.26496e+01 2.52037e+01 79.330  3.41389e-01  1.81203e+00  0.00000e+00 0.00000e+00 3.13128e+01 79.330  6.10912e+00 79.330  0.6704 
1 1 1 5  8  0  o 2  4.08051e+02 2.40159e+01 4.24623e+02 270.000 -1.24736e-16 -2.03709e+00 0.00000e+00 0.00000e+00 9.91802e+01 270.000 3.25443e+02 90.000  0.9666 
1 1 1 5  8  1  o 5  4.60751e+02 1.78236e+01 2.88573e+02 177.442 -3.10469e+00 1.38711e-01  0.00000e+00 0.00000e+00 2.11885e+02 177.442 7.66880e+01 357.442 0.8176 
1 1 1 5  8  2  o 12 8.31563e+02 2.64714e+01 5.82398e+02 65.592  4.57513e+00  1.00821e+01  0.00000e+00 0.00000e+00 4.71932e+02 65.592  1.10465e+02 245.592 0.9537 
1 1 1 5  8  3  o 8  1.14410e+03 3.47618e+01 7.15843e+02 314.812 1.27560e+01  -1.28398e+01 0.00000e+00 0.00000e+00 7.64385e+02 314.812 4.85418e+01 314.812 0.9720 
1 1 1 5  8  4  o 1  3.62178e+02 1.30700e+01 3.24305e+02 235.929 -2.63825e+00 -3.90088e+00 0.00000e+00 0.00000e+00 1.03671e+02 235.929 2.20633e+02 55.929  0.8862 
1 1 1 5  8  5  o 10 1.19729e+03 2.94208e+01 9.44651e+02 60.928  2.07193e+01  3.72676e+01  0.00000e+00 0.00000e+00 6.36637e+02 60.928  3.08013e+02 240.928 0.9882 
1 1 1 5  8  6  o 18 3.96558e+01 1.43323e+01 1.04912e+02 277.496 2.80240e-02  -2.12964e-01 0.00000e+00 0.00000e+00 9.92366e+01 97.496  2.04149e+02 97.496  0.1068 
1 1 1 5  8  7  o 15 6.16199e+02 1.74793e+01 4.33268e+02 154.140 -1.39652e+01 6.76904e+00  0.00000e+00 0.00000e+00 3.68117e+02 154.140 6.51507e+01 334.140 0.9672 
1 1 1 5  8  8  o 4  1.29816e+02 1.00593e+01 3.53487e+01 355.590 2.52440e-01  -1.94700e-02 0.00000e+00 0.00000e+00 1.33437e+01 175.590 4.86924e+01 175.590 0.1256 
1 1 1 5  8  9  o 1  6.94089e+02 1.64735e+01 5.19945e+02 252.607 -6.76006e+00 -2.15809e+01 0.00000e+00 0.00000e+00 3.99845e+02 252.607 1.20100e+02 72.607  0.9776 
1 1 1 5  8  10 o 15 4.94498e+02 1.33348e+01 3.55568e+02 64.403  5.26694e+00  1.09944e+01  0.00000e+00 0.00000e+00 2.89697e+02 64.403  6.58715e+01 244.403 0.9581 
1 1 1 5  8  11 o 1  2.10025e+02 1.23390e+01 1.32309e+02 152.974 -2.22605e+00 1.13549e+00  0.00000e+00 0.00000e+00 8.76499e+01 152.974 4.46595e+01 332.974 0.7649 
1 1 1 5  8  12 o 3  8.66215e+02 2.26529e+01 7.15688e+02 276.871 6.56921e+00  -5.45203e+01 0.00000e+00 0.00000e+00 4.66351e+02 276.871 2.49337e+02 96.871  0.9909 
1 1 1 5  8  13 o 6  4.27111e+01 1.64650e+01 1.05389e+02 4.540   5.25752e-01  4.17500e-02  0.00000e+00 0.00000e+00 9.02981e+01 184.540 1.95687e+02 184.540 0.2549 
1 1 1 5  8  14 o 14 5.02400e+01 1.77410e+01 1.70429e+02 108.886 -2.86171e-01 8.36524e-01  0.00000e+00 0.00000e+00 1.42119e+02 288.886 3.12548e+02 288.886 0.4038 
1 1 1 5  8  15 o 11 3.21549e+02 1.23824e+01 1.28569e+02 48.871  4.15817e+00  4.76174e+00  0.00000e+00 0.00000e+00 2.85931e+02 48.871  1.57362e+02 48.871  0.9171 
1 1 1 5  8  16 o 10 3.22686e+02 1.28742e+01 1.96624e+02 189.276 -1.02086e+01 -1.66728e+00 0.00000e+00 0.00000e+00 2.37818e+02 189.276 4.11941e+01 189.276 0.9504 
1 1 1 5  8  17 o 1  2.66693e+02 1.54993e+01 4.95298e+01 283.714 5.06535e-01  -2.07567e+00 0.00000e+00 0.00000e+00 2.24377e+02 283.714 1.74848e+02 283.714 0.7190 
1 1 1 5  8  18 o 8  6.24262e+01 2.32217e+01 4.28504e+01 271.699 1.44088e-02  -4.85662e-01 0.00000e+00 0.00000e+00 2.16149e+01 91.699  6.44652e+01 91.699  0.2360 
1 1 1 5  8  19 o 15 5.98553e+01 2.39846e+01 5.42295e+01 55.092  3.62482e-01  5.19444e-01  0.00000e+00 0.00000e+00 2.79504e+01 235.092 8.21799e+01 235.092 0.3018 
1 1 1 5  8  20 o 15 1.26398e+02 2.51163e+01 7.79481e+01 303.069 1.23712e+00  -1.89997e+00 0.00000e+00 0.00000e+00 5.89234e+01 303.069 1.90247e+01 123.069 0.7371 
1 1 1 5  8  21 o 18 3.17545e+02 1.64245e+01 1.59412e+02 211.980 -9.42122e+00 -5.88256e+00 0.00000e+00 0.00000e+00 2.90176e+02 211.980 1.30764e+02 211.980 0.9539 
1 1 1 5  8  22 o 6  2.20212e+02 2.17271e+01 8.72029e+01 128.044 -1.97808e+00 2.52785e+00  0.00000e+00 0.00000e+00 1.85191e+02 128.044 9.79882e+01 128.044 0.8244 
1 1 1 5  8  23 o 3  3.39422e+02 3.08159e+01 2.07228e+02 58.015  7.46651e+00  1.19558e+01  0.00000e+00 0.00000e+00 2.89261e+02 58.015  8.20326e+01 58.015  0.9638 
1 1 1 5  8  24 o 1  1.74209e+02 2.54641e+01 8.75171e+01 229.749 -1.97018e+00 -2.32720e+00 0.00000e+00 0.00000e+00 1.30137e+02 229.749 4.26204e+01 229.749 0.8136 
1 1 1 5  8  25 o 3  1.81127e+02 2.52594e+01 4.22646e+01 186.737 -2.01446e+00 -2.37975e-01 0.00000e+00 0.00000e+00 1.55541e+02 186.737 1.13277e+02 186.737 0.7024 
1 1 1 5  8  26 o 15 1.71214e+02 2.82611e+01 9.10866e+01 59.690  2.29202e+00  3.92083e+00  0.00000e+00 0.00000e+00 1.46620e+02 59.690  5.55339e+01 59.690  0.8815 
1 1 1 5  8  27 o 4  1.28267e+02 2.99744e+01 8.87289e+01 232.426 -2.21352e+00 -2.87699e+00 0.00000e+00 0.00000e+00 8.48032e+01 232.426 3.92572e+00 52.426  0.8476 
1 1 1 5  8  28 o 5  8.27853e+01 3.14449e+01 4.55981e+01 233.976 -8.51988e-01 -1.17164e+00 0.00000e+00 0.00000e+00 3.25371e+01 233.976 1.30610e+01 53.976  0.5832 
1 1 1 5  8  29 o 18 1.04721e+02 2.89729e+01 6.72175e+01 157.428 -3.01962e+00 1.25519e+00  0.00000e+00 0.00000e+00 7.51673e+01 157.428 7.94982e+00 157.428 0.8281 
1 1 1 5  8  30 f 0  9.69438e+01 3.47699e+01 7.34179e+01 147.992 -2.49976e+00 1.56249e+00  0.00000e+00 0.00000e+00 5.68028e+01 147.992 1.66151e+01 327.992 0.8061 
1 1 1 5  8  31 f 0  9.33589e+01 3.12410e+01 5.91165e+01 299.592 1.53381e+00  -2.70085e+00 0.00000e+00 0.00000e+00 7.00443e+01 299.592 1.09278e+01 299.592 0.8175 
1 1 1 5  8  32 o 9  7.67566e+01 3.10446e+01 7.40484e+01 329.370 3.17660e+00  -1.88092e+00 0.00000e+00 0.00000e+00 3.81988e+01 329.370 3.58497e+01 149.370 0.8505 
1 1 1 5  8  33 o 14 5.99181e+01 2.77580e+01 5.51719e+01 101.344 -5.76523e-01 2.87371e+00  0.00000e+00 0.00000e+00 2.91055e+01 101.344 2.60664e+01 281.344 0.8047 
1 1 1 5  8  34 o 4  6.27863e+01 2.90434e+01 5.73937e+01 131.576 -2.03679e+00 2.29605e+00  0.00000e+00 0.00000e+00 3.35642e+01 131.576 2.38295e+01 311.576 0.8150 
1 1 1 5  8  35 o 18 1.00313e+02 3.77553e+01 1.09277e+01 166.955 -6.86483e-01 1.59052e-01  0.00000e+00 0.00000e+00 4.93359e+01 166.955 3.84082e+01 166.955 0.3321 
1 1 1 5  8  36 o 14 6.36560e+01 3.01369e+01 2.62652e+01 263.570 -1.71932e-01 -1.52556e+00 0.00000e+00 0.00000e+00 4.46200e+01 263.570 1.83548e+01 263.570 0.6047 
1 1 1 5  8  37 o 16 5.84502e+01 2.85157e+01 3.23595e+01 343.176 1.95156e+00  -5.90085e-01 0.00000e+00 0.00000e+00 4.48276e+01 343.176 1.24681e+01 343.176 0.7040 
1 1 1 5  8  38 f 0  5.58707e+01 2.77141e+01 1.72273e+01 147.384 -9.48711e-01 6.07088e-01  0.00000e+00 0.00000e+00 3.50347e+01 147.384 1.78074e+01 147.384 0.4894 
1 1 1 5  9  0  o 9  4.02000e+01 2.12631e+01 4.23398e+01 270.000 -2.05794e-18 -3.36088e-02 0.00000e+00 0.00000e+00 4.05298e+01 90.000  8.28696e+01 90.000  0.0336 
1 1 1 5  9  1  o 1  7.18623e+02 1.93515e+01 3.84504e+02 65.473  4.49024e+00  9.84067e+00  0.00000e+00 0.00000e+00 5.33151e+02 65.473  1.48648e+02 65.473  0.9526 
1 1 1 5  9  2  o 6  1.42079e+02 1.09700e+01 1.66810e+02 255.681 -2.27671e-01 -8.91949e-01 0.00000e+00 0.00000e+00 8.72279e+01 75.681  2.54038e+02 75.681  0.4175 
1 1 1 5  9  3  o 14 5.28221e+02 1.93342e+01 4.42320e+02 23.457  8.07830e+00  3.50530e+00  0.00000e+00 0.00000e+00 2.25607e+02 23.457  2.16713e+02 203.457 0.9414 
1 1 1 5  9  4  o 8  6.49864e+02 2.20733e+01 4.14230e+02 285.633 3.73089e+00  -1.33325e+01 0.00000e+00 0.00000e+00 4.28027e+02 285.633 1.37975e+01 285.633 0.9632 
1 1 1 5  9  5  o 19 1.15417e+03 3.49023e+01 7.47988e+02 135.160 -2.95610e+01 2.93962e+01  0.00000e+00 0.00000e+00 7.89800e+02 135.160 4.18114e+01 135.160 0.9879 
1 1 1 5  9  6  o 14 6.73577e+02 2.25893e+01 4.98695e+02 20.885  1.76940e+01  6.75141e+00  0.00000e+00 0.00000e+00 3.87864e+02 20.885  1.10831e+02 200.885 0.9732 
1 1 1 5  9  7  o 7  5.46259e+02 2.00389e+01 4.85458e+02 229.803 -1.12019e+01 -1.32572e+01 0.00000e+00 0.00000e+00 2.34049e+02 229.803 2.51409e+02 49.803  0.9708 
1 1 1 5  9  8  o 1  8.91248e+02 1.97558e+01 5.54183e+02 119.653 -1.51590e+01 2.66267e+01  0.00000e+00 0.00000e+00 6.39707e+02 119.653 8.55241e+01 119.653 0.9835 
1 1 1 5  9  9  o 9  7.95389e+02 1.81288e+01 5.09119e+02 11.812  2.73450e+01  5.71868e+00  0.00000e+00 0.00000e+00 5.59188e+02 11.812  5.00697e+01 11.812  0.9819 
1 1 1 5  9  10 o 1  6.89495e+02 1.63763e+01 4.22333e+02 259.540 -4.75941e+00 -2.57799e+01 0.00000e+00 0.00000e+00 5.07058e+02 259.540 8.47253e+01 259.540 0.9807 
1 1 1 5  9  11 o 4  4.49608e+02 1.28515e+01 3.92771e+02 182.485 -1.61835e+01 -7.02262e-01 0.00000e+00 0.00000e+00 2.08962e+02 182.485 1.83809e+02 2.485   0.9686 
1 1 1 5  9  12 o 9  3.53320e+02 1.38872e+01 2.83906e+02 64.384  3.86882e+00  8.06905e+00  0.00000e+00 0.00000e+00 1.78808e+02 64.384  1.05098e+02 244.384 0.9423 
1 1 1 5  9  13 o 11 3.89015e+02 1.24232e+01 2.17383e+02 0.865   9.02262e+00  1.36214e-01  0.00000e+00 0.00000e+00 2.95570e+02 0.865   7.81870e+01 0.865   0.9428 
1 1 1 5  9  14 o 19 5.43960e+01 1.86272e+01 1.85816e+02 291.525 4.71755e-01  -1.19606e+00 0.00000e+00 0.00000e+00 1.44568e+02 111.525 3.30384e+02 111.525 0.5385 
1 1 1 5  9  15 o 13 2.28345e+02 1.27152e+01 1.72802e+02 96.238  -7.17672e-01 6.56597e+00  0.00000e+00 0.00000e+00 1.25447e+02 96.238  4.73544e+01 276.238 0.9208 
1 1 1 5  9  16 o 5  3.22593e+02 1.79542e+01 2.20943e+02 146.345 -7.66546e+00 5.10348e+00  0.00000e+00 0.00000e+00 2.14410e+02 146.345 6.53308e+00 326.345 0.9440 
1 1 1 5  9  17 o 5  1.54780e+02 1.82626e+01 1.11185e+02 95.247  -3.10131e-01 3.37722e+00  0.00000e+00 0.00000e+00 7.51663e+01 95.247  3.60190e+01 275.247 0.8352 
1 1 1 5  9  18 o 1  1.85926e+02 1.63845e+01 1.53936e+02 281.824 1.19818e+00  -5.72365e+00 0.00000e+00 0.00000e+00 9.20965e+01 281.824 6.18394e+01 101.824 0.9099 
1 1 1 5  9  19 o 1  1.04545e+02 2.45749e+01 2.73815e+01 109.700 -1.94923e-01 5.44407e-01  0.00000e+00 0.00000e+00 1.52315e+01 109.700 1.21500e+01 289.700 0.2777 
1 1 1 5  9  20 o 18 2.18187e+02 1.90402e+01 2.30324e+02 139.838 -8.61241e+00 7.26829e+00  0.00000e+00 0.00000e+00 7.84184e+01 139.838 1.51905e+02 319.838 0.9545 
1 1 1 5  9  21 o 12 9.36570e+01 2.96246e+01 7.14626e+01 9.593   1.38420e+00  2.33941e-01  0.00000e+00 0.00000e+00 8.70046e+00 9.593   6.27622e+01 189.593 0.5714 
1 1 1 5  9  22 o 9  3.62721e+02 1.99960e+01 2.40226e+02 15.392  1.53625e+01  4.22930e+00  0.00000e+00 0.00000e+00 2.91466e+02 15.392  5.12400e+01 15.392  0.9681 
1 1 1 5  9  23 o 5  2.47511e+02 2.04496e+01 1.28392e+02 134.662 -4.43928e+00 4.49198e+00  0.00000e+00 0.00000e+00 2.19193e+02 134.662 9.08008e+01 134.662 0.9170 
1 1 1 5  9  24 o 13 1.61006e+02 3.60117e+01 1.29750e+02 273.165 2.42785e-01  -4.39067e+00 0.00000e+00 0.00000e+00 8.91282e+01 273.165 4.06217e+01 93.165  0.8772 
1 1 1 5  9  25 o 18 2.45932e+02 2.40778e+01 1.65771e+02 253.910 -3.30689e+00 -1.14648e+01 0.00000e+00 0.00000e+00 2.03546e+02 253.910 3.77747e+01 253.910 0.9571 
1 1 1 5  9  26 f 0  1.83082e+02 2.67135e+01 7.04909e+01 125.824 -2.49753e+00 3.45990e+00  0.00000e+00 0.00000e+00 1.83541e+02 125.824 1.13050e+02 125.824 0.8731 
1 1 1 5  9  27 o 19 1.84534e+02 2.32695e+01 1.34773e+02 340.047 1.00727e+01  -3.65674e+00 0.00000e+00 0.00000e+00 1.48219e+02 340.047 1.34463e+01 340.047 0.9521 
1 1 1 5  9  28 o 13 1.40659e+02 2.76200e+01 5.28689e+01 206.778 -2.65952e+00 -1.34216e+00 0.00000e+00 0.00000e+00 1.32838e+02 206.778 7.99694e+01 206.778 0.8084 
1 1 1 5  9  29 o 13 8.52613e+01 3.43095e+01 8.65241e+01 105.029 -8.47312e-01 3.15575e+00  0.00000e+00 0.00000e+00 3.04352e+01 105.029 5.60888e+01 285.029 0.8280 
1 1 1 5  9  30 o 5  9.02161e+01 3.01487e+01 1.11054e+02 64.872  2.03450e+00  4.33767e+00  0.00000e+00 0.00000e+00 2.37104e+01 64.872  8.73433e+01 244.872 0.8883 
1 1 1 5  9  31 o 5  6.53651e+01 2.82845e+01 5.06879e+01 202.467 -1.94510e+00 -8.04368e-01 0.00000e+00 0.00000e+00 2.90408e+01 202.467 2.16471e+01 22.467  0.7143 
1 1 1 5  9  32 f 0  5.62553e+01 2.59970e+01 3.18461e+01 133.398 -1.00109e+00 1.05868e+00  0.00000e+00 0.00000e+00 2.52855e+01 133.398 6.56062e+00 313.398 0.5853 
1 1 1 5  9  33 o 3  6.42615e+01 2.91892e+01 4.08818e+01 55.679  1.20630e+00  1.76697e+00  0.00000e+00 0.00000e+00 4.06542e+01 55.679  2.27577e-01 235.679 0.7194 
1 1 1 5  9  34 o 6  5.17199e+01 2.52733e+01 4.49659e+01 217.001 -1.89237e+00 -1.42607e+00 0.00000e+00 0.00000e+00 2.46170e+01 217.001 2.03489e+01 37.001  0.7500 
1 1 1 5  9  35 o 14 6.14141e+01 2.91960e+01 2.34135e+01 254.061 -3.73733e-01 -1.30864e+00 0.00000e+00 0.00000e+00 3.93419e+01 254.061 1.59284e+01 254.061 0.5598 
1 1 1 5  9  36 o 1  6.17872e+01 3.08577e+01 1.95693e+01 353.244 1.10156e+00  -1.30489e-01 0.00000e+00 0.00000e+00 3.59743e+01 353.244 1.64050e+01 353.244 0.4838 
1 1 1 5  9  37 o 1  5.27990e+01 2.62392e+01 1.51021e+01 92.008  -3.46994e-02 9.89536e-01  0.00000e+00 0.00000e+00 2.91579e+01 92.008  1.40558e+01 92.008  0.4429 
1 1 1 5  10 0  o 19 8.77610e+02 3.92854e+01 5.19754e+02 270.000 -6.96421e-16 -1.13734e+01 0.00000e+00 0.00000e+00 6.68375e+02 270.000 1.48621e+02 270.000 1.0000 
1 1 1 5  10 1  o 15 2.54123e+02 1.43917e+01 1.74098e+02 166.899 -2.18116e+00 5.07608e-01  0.00000e+00 0.00000e+00 7.82915e+01 166.899 9.58069e+01 346.899 0.7334 
1 1 1 5  10 2  o 9  1.39825e+03 3.37020e+01 8.62134e+02 336.147 5.34162e+01  -2.36180e+01 0.00000e+00 0.00000e+00 1.01647e+03 336.147 1.54334e+02 336.147 0.9914 
1 1 1 5  10 3  o 4  7.89483e+02 2.08142e+01 5.18129e+02 262.898 -2.93236e+00 -2.35348e+01 0.00000e+00 0.00000e+00 5.30286e+02 262.898 1.21572e+01 262.898 0.9787 
1 1 1 5  10 4  o 16 1.05777e+03 3.23716e+01 5.91865e+02 53.220  2.06456e+01  2.76179e+01  0.00000e+00 0.00000e+00 8.24957e+02 53.220  2.33092e+02 53.220  0.9854 
1 1 1 5  10 5  o 6  5.35082e+02 1.94585e+01 2.83253e+02 312.972 5.63676e+00  -6.05066e+00 0.00000e+00 0.00000e+00 4.00121e+02 312.972 1.16868e+02 312.972 0.9374 
1 1 1 5  10 6  o 4  5.05842e+02 1.54859e+01 3.22973e+02 129.781 -6.69983e+00 8.04670e+00  0.00000e+00 0.00000e+00 3.34215e+02 129.781 1.12420e+01 129.781 0.9510 
1 1 1 5  10 7  o 6  9.47567e+02 2.41306e+01 6.33013e+02 31.432  3.62257e+01  2.21403e+01  0.00000e+00 0.00000e+00 6.50387e+02 31.432  1.73739e+01 31.432  0.9882 
1 1 1 5  10 8  o 15 4.83818e+02 1.31773e+01 3.39867e+02 288.191 3.52742e+00  -1.07344e+01 0.00000e+00 0.00000e+00 2.95619e+02 288.191 4.42478e+01 108.191 0.9547 
1 1 1 5  10 9  o 1  6.07436e+02 1.50606e+01 2.97903e+02 138.027 -1.20927e+01 1.08778e+01  0.00000e+00 0.00000e+00 5.15203e+02 138.027 2.17300e+02 138.027 0.9688 
1 1 1 5  10 10 o 5  2.37965e+02 1.08145e+01 1.39126e+02 138.170 -2.27451e+00 2.03578e+00  0.00000e+00 0.00000e+00 1.29744e+02 138.170 9.38154e+00 318.170 0.8138 
1 1 1 5  10 11 o 13 3.92727e+02 1.22552e+01 2.55046e+02 285.976 2.48422e+00  -8.67694e+00 0.00000e+00 0.00000e+00 2.61787e+02 285.976 6.74170e+00 285.976 0.9429 
1 1 1 5  10 12 o 19 3.36916e+02 1.36739e+01 2.32622e+02 112.270 -3.19919e+00 7.81208e+00  0.00000e+00 0.00000e+00 2.11402e+02 112.270 2.12201e+01 292.270 0.9388 
1 1 1 5  10 13 o 3  1.61969e+02 1.53971e+01 2.00329e+02 196.234 -4.06414e+00 -1.18337e+00 0.00000e+00 0.00000e+00 8.12390e-01 16.234  2.01141e+02 16.234  0.8719 
1 1 1 5  10 14 o 15 4.56153e+02 1.35982e+01 3.36904e+02 317.695 1.70296e+01  -1.54985e+01 0.00000e+00 0.00000e+00 2.97688e+02 317.695 3.92160e+01 137.695 0.9780 
1 1 1 5  10 15 o 17 3.46637e+02 1.48725e+01 2.06576e+02 39.208  7.38981e+00  6.02876e+00  0.00000e+00 0.00000e+00 2.63298e+02 39.208  5.67218e+01 39.208  0.9460 
1 1 1 5  10 16 o 10 3.03960e+02 1.31276e+01 1.28656e+02 291.662 2.33890e+00  -5.88888e+00 0.00000e+00 0.00000e+00 2.73988e+02 291.662 1.45332e+02 291.662 0.9173 
1 1 1 5  10 17 o 15 1.94527e+02 1.72133e+01 1.04736e+02 164.437 -3.67483e+00 1.02345e+00  0.00000e+00 0.00000e+00 1.37738e+02 164.437 3.30019e+01 164.437 0.8560 
1 1 1 5  10 18 o 3  1.27311e+02 2.04716e+01 1.33741e+02 30.856  2.92118e+00  1.74524e+00  0.00000e+00 0.00000e+00 2.25898e+01 30.856  1.11151e+02 210.856 0.8359 
1 1 1 5  10 19 o 16 9.27389e+01 2.76591e+01 6.42931e+01 78.102  2.77581e-01  1.31745e+00  0.00000e+00 0.00000e+00 1.21394e+01 78.102  5.21537e+01 258.102 0.5558 
1 1 1 5  10 20 o 11 2.80427e+02 4.32852e+01 2.24118e+02 216.944 -8.77399e+00 -6.59833e+00 0.00000e+00 0.00000e+00 1.76216e+02 216.944 4.79023e+01 36.944  0.9533 
1 1 1 5  10 21 o 4  1.35370e+02 2.53266e+01 1.79297e+02 30.336  3.45957e+00  2.02456e+00  0.00000e+00 0.00000e+00 2.36035e+00 210.336 1.81657e+02 210.336 0.8638 
1 1 1 5  10 22 o 19 2.73484e+02 1.85342e+01 1.50546e+02 30.418  7.92624e+00  4.65358e+00  0.00000e+00 0.00000e+00 2.44310e+02 30.418  9.37633e+01 30.418  0.9439 
1 1 1 5  10 23 o 14 2.03511e+02 2.23906e+01 6.89663e+01 207.626 -2.53253e+00 -1.32546e+00 0.00000e+00 0.00000e+00 1.82572e+02 207.626 1.13605e+02 207.626 0.7989 
1 1 1 5  10 24 o 3  3.63188e+02 4.80994e+01 2.19737e+02 116.561 -7.08193e+00 1.41665e+01  0.00000e+00 0.00000e+00 3.30571e+02 116.561 1.10834e+02 116.561 0.9679 
1 1 1 5  10 25 f 0  8.55432e+01 3.20899e+01 4.07121e+01 184.584 -1.02850e+00 -8.24568e-02 0.00000e+00 0.00000e+00 2.13217e+01 184.584 1.93904e+01 4.584   0.4575 
1 1 1 5  10 26 o 16 2.63172e+02 4.20677e+01 2.47508e+02 255.275 -4.35990e+00 -1.65891e+01 0.00000e+00 0.00000e+00 1.62493e+02 255.275 8.50147e+01 75.275  0.9704 
1 1 1 5  10 27 o 7  8.57818e+01 3.30940e+01 2.71108e+01 116.246 -3.90231e-01 7.91446e-01  0.00000e+00 0.00000e+00 2.91618e+01 116.246 2.05095e+00 116.246 0.4032 
1 1 1 5  10 28 o 11 1.47708e+02 2.80797e+01 8.14064e+01 169.386 -5.56305e+00 1.04250e+00  0.00000e+00 0.00000e+00 1.39549e+02 169.386 5.81425e+01 169.386 0.9067 
1 1 1 5  10 29 o 8  7.78826e+01 3.36277e+01 1.96975e+01 181.431 -7.05396e-01 -1.76159e-02 0.00000e+00 0.00000e+00 2.36473e+01 181.431 3.94972e+00 181.431 0.3325 
1 1 1 5  10 30 o 17 1.24703e+02 3.14003e+01 1.15244e+02 27.891  6.77433e+00  3.58543e+00  0.00000e+00 0.00000e+00 8.22495e+01 27.891  3.29944e+01 207.891 0.9323 
1 1 1 5  10 31 o 6  8.15256e+01 3.11602e+01 7.37628e+01 10.736  3.57081e+00  6.77004e-01  0.00000e+00 0.00000e+00 4.54743e+01 10.736  2.82885e+01 190.735 0.8478 
1 1 1 5  10 32 f 0  6.32467e+01 2.80243e+01 4.83372e+01 137.973 -1.90898e+00 1.72051e+00  0.00000e+00 0.00000e+00 3.72845e+01 137.973 1.10528e+01 317.973 0.7724 
1 1 1 5  10 33 o 7  6.61849e+01 2.98706e+01 3.77158e+01 111.608 -7.41717e-01 1.87256e+00  0.00000e+00 0.00000e+00 4.48372e+01 111.608 7.12146e+00 111.608 0.7001 
1 1 1 5  10 34 o 5  5.77072e+01 2.76324e+01 3.05523e+01 273.822 1.09362e-01  -1.63717e+00 0.00000e+00 0.00000e+00 3.52272e+01 273.822 4.67489e+00 273.822 0.6291 
1 1 1 5  10 35 o 2  6.65299e+01 3.26443e+01 1.33373e+01 272.997 3.66559e-02  -7.00178e-01 0.00000e+00 0.00000e+00 2.72241e+01 272.997 1.38868e+01 272.997 0.3307 
1 1 1 5  10 36 o 7  5.72929e+01 2.89739e+01 1.17475e+01 97.049  -8.72149e-02 7.05285e-01  0.00000e+00 0.00000e+00 2.42415e+01 97.049  1.24940e+01 97.049  0.3346 
1 1 1 5  10 37 o 1  5.23062e+01 2.60506e+01 2.03329e+01 201.904 -1.24976e+00 -5.02499e-01 0.00000e+00 0.00000e+00 3.52704e+01 201.904 1.49375e+01 201.904 0.5560 
1 1 1 5  11 0  o 16 2.66885e+01 1.66410e+01 7.62631e+01 270.000 -3.45856e-18 -5.64826e-02 0.00000e+00 0.00000e+00 7.42015e+01 90.000  1.50465e+02 90.000  0.0564 
1 1 1 5  11 1  o 14 1.04522e+02 1.45728e+01 5.91832e+01 244.725 -1.45623e-01 -3.08417e-01 0.00000e+00 0.00000e+00 3.51223e+01 64.725  9.43055e+01 64.725  0.1681 
1 1 1 5  11 2  o 16 3.66826e+02 1.31802e+01 2.31152e+02 204.446 -5.13184e+00 -2.33289e+00 0.00000e+00 0.00000e+00 2.24472e+02 204.446 6.67981e+00 24.446  0.9063 
1 1 1 5  11 3  o 15 5.45788e+02 1.61021e+01 3.77486e+02 226.234 -9.26534e+00 -9.67323e+00 0.00000e+00 0.00000e+00 3.42909e+02 226.234 3.45774e+01 46.234  0.9619 
1 1 1 5  11 4  o 8  5.83537e+01 1.73322e+01 7.56362e+01 300.058 1.39908e-01  -2.41765e-01 0.00000e+00 0.00000e+00 6.45411e+01 120.058 1.40177e+02 120.058 0.1383 
1 1 1 5  11 5  o 18 5.06071e+02 1.88855e+01 2.78812e+02 333.964 9.11162e+00  -4.45119e+00 0.00000e+00 0.00000e+00 3.83090e+02 333.964 1.04278e+02 333.964 0.9493 
1 1 1 5  11 6  o 12 2.05733e+02 1.17637e+01 1.76680e+02 313.356 1.74770e+00  -1.85097e+00 0.00000e+00 0.00000e+00 4.21430e+01 313.356 1.34537e+02 133.356 0.7699 
1 1 1 5  11 7  o 8  1.49555e+02 1.21716e+01 1.60387e+02 195.245 -2.15111e+00 -5.86250e-01 0.00000e+00 0.00000e+00 8.62740e+00 15.245  1.69014e+02 15.245  0.7321 
1 1 1 5  11 8  o 1  3.92660e+02 1.39511e+01 2.30519e+02 329.377 7.42540e+00  -4.39538e+00 0.00000e+00 0.00000e+00 2.83098e+02 329.377 5.25797e+01 329.377 0.9401 
1 1 1 5  11 9  o 4  2.86879e+02 1.10516e+01 8.30200e+01 147.860 -1.90774e+00 1.19858e+00  0.00000e+00 0.00000e+00 2.11710e+02 147.860 1.28690e+02 147.860 0.7352 
1 1 1 5  11 10 o 13 2.27389e+02 1.21121e+01 1.35416e+02 154.045 -2.48745e+00 1.21079e+00  0.00000e+00 0.00000e+00 1.17157e+02 154.045 1.82591e+01 334.045 0.7911 
1 1 1 5  11 11 o 9  4.49155e+02 1.29835e+01 3.43247e+02 71.697  5.23356e+00  1.58217e+01  0.00000e+00 0.00000e+00 2.71402e+02 71.697  7.18448e+01 251.697 0.9695 
1 1 1 5  11 12 o 7  2.73396e+02 1.36121e+01 1.74694e+02 352.485 6.24828e+00  -8.24297e-01 0.00000e+00 0.00000e+00 1.81158e+02 352.485 6.46463e+00 352.485 0.9168 
1 1 1 5  11 13 o 5  4.61760e+02 1.56787e+01 9.12734e+01 78.876  1.22313e+00  6.22086e+00  0.00000e+00 0.00000e+00 5.13898e+02 78.876  4.22625e+02 78.876  0.9173 
1 1 1 5  11 14 f 0  3.05051e+02 1.24401e+01 2.49365e+02 179.402 -1.24498e+01 1.29899e-01  0.00000e+00 0.00000e+00 1.71422e+02 179.402 7.79431e+01 359.402 0.9590 
1 1 1 5  11 15 o 14 3.62384e+02 1.51312e+01 1.36364e+02 185.315 -8.05097e+00 -7.48972e-01 0.00000e+00 0.00000e+00 3.55095e+02 185.315 2.18731e+02 185.315 0.9360 
1 1 1 5  11 16 o 4  1.13584e+02 2.14230e+01 9.62169e+01 130.456 -1.35672e+00 1.59097e+00  0.00000e+00 0.00000e+00 2.19107e+01 130.456 7.43062e+01 310.456 0.7122 
1 1 1 5  11 17 o 12 2.48406e+02 2.36043e+01 1.44407e+02 264.032 -7.25258e-01 -6.93719e+00 0.00000e+00 0.00000e+00 1.94045e+02 264.032 4.96377e+01 264.032 0.9253 
1 1 1 5  11 18 o 19 1.31940e+02 1.95017e+01 1.90223e+02 336.516 4.79244e+00  -2.08219e+00 0.00000e+00 0.00000e+00 1.41328e+01 156.516 2.04355e+02 156.516 0.8984 
1 1 1 5  11 19 o 13 1.59493e+02 2.16888e+01 1.24419e+02 157.890 -4.04879e+00 1.64490e+00  0.00000e+00 0.00000e+00 8.51847e+01 157.890 3.92341e+01 337.890 0.8764 
1 1 1 5  11 20 o 13 1.51332e+02 2.37693e+01 1.22910e+02 344.074 3.95440e+00  -1.12837e+00 0.00000e+00 0.00000e+00 7.59435e+01 344.074 4.69665e+01 164.074 0.8677 
1 1 1 5  11 21 o 10 4.56618e+02 2.78808e+01 2.86523e+02 32.442  1.92765e+01  1.22533e+01  0.00000e+00 0.00000e+00 3.96683e+02 32.442  1.10160e+02 32.442  0.9779 
1 1 1 5  11 22 o 5  3.02165e+02 3.37498e+01 1.65004e+02 156.360 -8.22644e+00 3.60090e+00  0.00000e+00 0.00000e+00 2.75535e+02 156.360 1.10531e+02 156.360 0.9426 
1 1 1 5  11 23 o 12 1.28563e+02 3.09798e+01 1.56916e+02 237.274 -2.06962e+00 -3.22060e+00 0.00000e+00 0.00000e+00 1.53676e+01 237.274 1.41548e+02 57.274  0.8566 
1 1 1 5  11 24 o 17 2.02453e+02 3.04027e+01 1.31244e+02 316.791 5.29469e+00  -4.97363e+00 0.00000e+00 0.00000e+00 1.66301e+02 316.791 3.50572e+01 316.791 0.9284 
1 1 1 5  11 25 o 16 2.04043e+02 3.05000e+01 9.35602e+01 109.066 -1.75959e+00 5.09111e+00  0.00000e+00 0.00000e+00 2.01307e+02 109.066 1.07747e+02 109.066 0.9016 
1 1 1 5  11 26 o 13 1.48615e+02 2.71505e+01 1.44614e+02 45.508  6.13288e+00  6.24271e+00  0.00000e+00 0.00000e+00 8.24304e+01 45.508  6.21837e+01 225.508 0.9410 
1 1 1 5  11 27 o 9  1.77883e+02 2.70975e+01 9.49190e+01 135.845 -4.94718e+00 4.80338e+00  0.00000e+00 0.00000e+00 1.75621e+02 135.845 8.07020e+01 135.845 0.9243 
1 1 1 5  11 28 o 5  1.51663e+02 2.48020e+01 1.21397e+02 163.285 -9.93364e+00 2.98299e+00  0.00000e+00 0.00000e+00 1.19105e+02 163.285 2.29235e+00 343.285 0.9505 
1 1 1 5  11 29 o 18 1.01119e+02 3.59468e+01 5.04574e+01 313.689 1.41747e+00  -1.48388e+00 0.00000e+00 0.00000e+00 7.03954e+01 313.689 1.99381e+01 313.689 0.7061 
1 1 1 5  11 30 o 16 7.13739e+01 2.90296e+01 7.45423e+01 340.314 3.01040e+00  -1.07705e+00 0.00000e+00 0.00000e+00 2.64371e+01 340.314 4.81052e+01 160.314 0.8236 
1 1 1 5  11 31 o 12 6.95996e+01 2.92650e+01 2.28363e+01 45.246  8.11338e-01  8.18324e-01  0.00000e+00 0.00000e+00 3.76020e+01 45.246  1.47657e+01 45.246  0.4978 
1 1 1 5  11 32 f 0  5.59830e+01 2.72348e+01 3.15133e+01 79.973  2.77791e-01  1.57111e+00  0.00000e+00 0.00000e+00 2.98945e+01 79.973  1.61879e+00 259.973 0.6189 
1 1 1 5  11 33 o 7  6.24646e+01 2.89353e+01 3.14188e+01 231.360 -1.04510e+00 -1.30732e+00 0.00000e+00 0.00000e+00 4.01861e+01 231.360 8.76729e+00 231.360 0.6362 
1 1 1 5  11 34 o 12 5.77709e+01 2.76305e+01 2.39452e+01 244.790 -6.12512e-01 -1.30107e+00 0.00000e+00 0.00000e+00 3.75007e+01 244.790 1.35554e+01 244.790 0.5804 
1 1 1 5  11 35 o 16 4.92764e+01 2.43745e+01 1.80941e+01 23.775  1.01633e+00  4.47727e-01  0.00000e+00 0.00000e+00 2.63945e+01 23.775  8.30048e+00 23.775  0.4842 
1 1 1 5  11 36 o 5  5.84694e+01 2.84353e+01 2.07022e+01 170.484 -1.28370e+00 2.15177e-01  0.00000e+00 0.00000e+00 3.95805e+01 170.484 1.88784e+01 170.484 0.5431 
1 1 1 5  11 37 o 9  5.39998e+01 2.77542e+01 1.18985e+01 83.144  8.88531e-02  7.38974e-01  0.00000e+00 0.00000e+00 2.44941e+01 83.144  1.25956e+01 83.144  0.3486 
1 1 1 5  12 0  o 16 5.65496e+02 2.87534e+01 4.49140e+02 270.000 -5.57481e-16 -9.10436e+00 0.00000e+00 0.00000e+00 3.34613e+02 270.000 1.14527e+02 90.000  1.0000 
1 1 1 5  12 1  o 13 2.18626e+02 1.14909e+01 7.39283e+01 254.184 -3.19195e-01 -1.12684e+00 0.00000e+00 0.00000e+00 7.87529e+01 254.184 4.82458e+00 254.184 0.5038 
1 1 1 5  12 2  o 1  3.60263e+02 1.13454e+01 2.32362e+02 244.912 -2.54657e+00 -5.43941e+00 0.00000e+00 0.00000e+00 2.23694e+02 244.912 8.66769e+00 64.912  0.9125 
1 1 1 5  12 3  o 17 1.30673e+02 1.13066e+01 1.53379e+02 125.332 -8.18022e-01 1.15396e+00  0.00000e+00 0.00000e+00 4.91378e+01 305.332 2.02517e+02 305.332 0.5743 
1 1 1 5  12 4  o 2  7.83077e+02 2.55597e+01 5.24806e+02 73.728  1.06259e+01  3.64043e+01  0.00000e+00 0.00000e+00 5.50428e+02 73.728  2.56215e+01 73.728  0.9867 
1 1 1 5  12 5  o 3  8.80912e+02 2.79498e+01 6.15166e+02 305.980 2.83676e+01  -3.90729e+01 0.00000e+00 0.00000e+00 6.00672e+02 305.980 1.44934e+01 125.980 0.9896 
1 1 1 5  12 6  o 13 4.60835e+02 1.48336e+01 3.22996e+02 179.806 -1.43046e+01 4.84420e-02  0.00000e+00 0.00000e+00 2.98573e+02 179.806 2.44236e+01 359.806 0.9644 
1 1 1 5  12 7  o 17 1.19851e+02 1.35440e+01 1.74443e+02 262.692 -2.46923e-01 -1.92552e+00 0.00000e+00 0.00000e+00 5.87570e+01 82.692  2.33200e+02 82.692  0.6879 
1 1 1 5  12 8  o 3  1.44716e+02 1.29173e+01 1.14558e+01 230.998 -9.64709e-02 -1.19124e-01 0.00000e+00 0.00000e+00 4.12107e+00 230.998 7.33476e+00 50.998  0.0764 
1 1 1 5  12 9  o 9  4.81926e+02 1.33090e+01 2.96649e+02 98.883  -2.62886e+00 1.68195e+01  0.00000e+00 0.00000e+00 3.64729e+02 98.883  6.80797e+01 98.883  0.9702 
1 1 1 5  12 10 o 19 3.55490e+02 1.33556e+01 2.98827e+02 347.636 1.11252e+01  -2.43863e+00 0.00000e+00 0.00000e+00 1.83731e+02 347.636 1.15097e+02 167.636 0.9550 
1 1 1 5  12 11 o 7  4.80151e+02 1.35100e+01 3.01699e+02 258.463 -3.81603e+00 -1.86939e+01 0.00000e+00 0.00000e+00 3.66159e+02 258.463 6.44593e+01 258.463 0.9734 
1 1 1 5  12 12 o 11 6.15496e+02 1.78664e+01 2.54236e+02 30.088  2.02531e+01  1.17345e+01  0.00000e+00 0.00000e+00 6.11254e+02 30.088  3.57017e+02 30.088  0.9784 
1 1 1 5  12 13 o 6  1.66710e+02 1.51666e+01 1.24152e+02 40.965  2.55134e+00  2.21514e+00  0.00000e+00 0.00000e+00 7.70599e+01 40.965  4.70922e+01 220.965 0.8345 
1 1 1 5  12 14 o 5  3.39262e+02 1.49015e+01 1.68175e+02 355.994 9.41039e+00  -6.58994e-01 0.00000e+00 0.00000e+00 2.98884e+02 355.994 1.30708e+02 355.994 0.9454 
1 1 1 5  12 15 o 6  1.19712e+02 1.68548e+01 8.31891e+01 133.046 -1.34950e+00 1.44483e+00  0.00000e+00 0.00000e+00 3.86725e+01 133.046 4.45166e+01 313.046 0.6940 
1 1 1 5  12 16 o 14 2.14678e+02 1.68151e+01 1.53245e+02 126.445 -4.01352e+00 5.43489e+00  0.00000e+00 0.00000e+00 1.39599e+02 126.445 1.36461e+01 306.445 0.9227 
1 1 1 5  12 17 o 18 1.39435e+02 1.88768e+01 2.67088e+01 347.493 7.72251e-01  -1.71305e-01 0.00000e+00 0.00000e+00 4.96781e+01 347.493 2.29693e+01 347.493 0.3675 
1 1 1 5  12 18 o 1  2.60077e+02 1.51959e+01 1.28214e+02 249.467 -2.87801e+00 -7.68409e+00 0.00000e+00 0.00000e+00 2.38257e+02 249.467 1.10043e+02 249.467 0.9369 
1 1 1 5  12 19 o 4  5.07652e+01 2.27143e+01 7.22045e+01 316.715 5.64182e-01  -5.31388e-01 0.00000e+00 0.00000e+00 4.43798e+01 136.715 1.16584e+02 136.715 0.3611 
1 1 1 5  12 20 o 17 5.98806e+01 2.56848e+01 9.56447e+01 34.779  7.74073e-01  5.37567e-01  0.00000e+00 0.00000e+00 5.65729e+01 214.779 1.52218e+02 214.779 0.4256 
1 1 1 5  12 21 o 1  2.26636e+02 2.01395e+01 1.51218e+02 126.887 -4.55148e+00 6.06496e+00  0.00000e+00 0.00000e+00 1.75797e+02 126.887 2.45793e+01 126.887 0.9315 
1 1 1 5  12 22 o 12 1.63064e+02 2.56216e+01 1.06335e+02 218.096 -2.76772e+00 -2.16984e+00 0.00000e+00 0.00000e+00 1.08655e+02 218.096 2.32024e+00 218.096 0.8420 
1 1 1 5  12 23 o 13 2.37766e+02 2.09117e+01 1.32856e+02 17.683  8.47685e+00  2.70261e+00  0.00000e+00 0.00000e+00 2.21866e+02 17.683  8.90098e+01 17.683  0.9420 
1 1 1 5  12 24 o 5  6.14845e+01 2.79187e+01 2.10343e+01 143.329 -3.28248e-01 2.44413e-01  0.00000e+00 0.00000e+00 1.28199e+00 323.329 2.23163e+01 323.329 0.2005 
1 1 1 5  12 25 o 8  8.02735e+01 3.31852e+01 8.65197e+01 283.414 4.96561e-01  -2.08216e+00 0.00000e+00 0.00000e+00 7.20108e+00 283.414 7.93186e+01 103.414 0.7196 
1 1 1 5  12 26 o 15 1.76300e+02 3.96234e+01 1.75529e+02 57.667  5.49234e+00  8.67693e+00  0.00000e+00 0.00000e+00 9.97390e+01 57.667  7.57896e+01 237.667 0.9500 
1 1 1 5  12 27 o 10 8.33548e+01 3.00487e+01 3.58955e+01 155.338 -1.23233e+00 5.65819e-01  0.00000e+00 0.00000e+00 4.16438e+01 155.338 5.74822e+00 155.338 0.5585 
1 1 1 5  12 28 o 7  1.21382e+02 4.15015e+01 6.70590e+01 334.340 2.75319e+00  -1.32267e+00 0.00000e+00 0.00000e+00 9.98014e+01 334.340 3.27425e+01 334.340 0.8139 
1 1 1 5  12 29 o 3  1.39597e+02 2.84919e+01 8.57029e+01 30.274  6.01571e+00  3.51163e+00  0.00000e+00 0.00000e+00 1.35576e+02 30.274  4.98735e+01 30.274  0.9251 
1 1 1 5  12 30 o 7  7.55666e+01 3.30373e+01 3.61456e+01 173.897 -1.54880e+00 1.65598e-01  0.00000e+00 0.00000e+00 4.40256e+01 173.897 7.87999e+00 173.897 0.6101 
1 1 1 5  12 31 o 8  5.29162e+01 2.49445e+01 2.79263e+01 245.147 -5.45256e-01 -1.17720e+00 0.00000e+00 0.00000e+00 2.27152e+01 245.147 5.21113e+00 65.147  0.5419 
1 1 1 5  12 32 o 6  7.42244e+01 3.09195e+01 3.12488e+01 170.083 -1.71986e+00 3.00680e-01  0.00000e+00 0.00000e+00 5.54951e+01 170.083 2.42462e+01 170.083 0.6513 
1 1 1 5  12 33 o 10 6.93270e+01 3.07152e+01 1.41946e+01 184.769 -7.92860e-01 -6.61533e-02 0.00000e+00 0.00000e+00 3.25065e+01 184.769 1.83119e+01 184.769 0.3693 
1 1 1 5  12 34 o 16 8.70331e+01 3.55561e+01 1.50509e+01 146.237 -7.52424e-01 5.03006e-01  0.00000e+00 0.00000e+00 5.14253e+01 146.237 3.63744e+01 146.237 0.4117 
1 1 1 5  12 35 o 11 5.60235e+01 2.73100e+01 9.31243e+00 102.087 -1.20551e-01 5.62935e-01  0.00000e+00 0.00000e+00 1.99324e+01 102.087 1.06200e+01 102.087 0.2765 
1 1 1 5  12 36 o 11 4.90706e+01 2.45525e+01 3.56498e+01 306.224 1.41493e+00  -1.93156e+00 0.00000e+00 0.00000e+00 3.53573e+01 306.224 2.92557e-01 126.224 0.7530 
1 1 1 5  13 0  o 9  5.02828e+01 2.52834e+01 9.60004e+01 90.000  1.34820e-17  2.20178e-01  0.00000e+00 0.00000e+00 8.06968e+01 270.000 1.76697e+02 270.000 0.2167 
1 1 1 5  13 1  f 0  4.47217e+02 1.44369e+01 3.22464e+02 242.258 -6.14936e+00 -1.16921e+01 0.00000e+00 0.00000e+00 2.81567e+02 242.258 4.08969e+01 62.258  0.9614 
1 1 1 5  13 2  o 8  3.38041e+02 1.11052e+01 3.10594e+02 343.107 9.17142e+00  -2.78519e+00 0.00000e+00 0.00000e+00 1.39160e+02 343.107 1.71433e+02 163.107 0.9463 
1 1 1 5  13 3  o 3  6.10490e+01 1.49253e+01 4.47770e+01 324.865 2.14949e-01  -1.51263e-01 0.00000e+00 0.00000e+00 3.35791e+01 144.865 7.83561e+01 144.865 0.1303 
1 1 1 5  13 4  o 12 2.88900e+02 1.50521e+01 2.63858e+02 208.814 -6.29392e+00 -3.46216e+00 0.00000e+00 0.00000e+00 1.14030e+02 208.814 1.49828e+02 28.814  0.9275 
1 1 1 5  13 5  o 7  1.94715e+02 1.53411e+01 1.57632e+02 55.717  1.58834e+00  2.32992e+00  0.00000e+00 0.00000e+00 6.13663e+01 55.717  9.62661e+01 235.717 0.7957 
1 1 1 5  13 6  o 5  3.00257e+02 1.29039e+01 2.25091e+02 246.781 -2.47319e+00 -5.76515e+00 0.00000e+00 0.00000e+00 1.64908e+02 246.781 6.01828e+01 66.781  0.9164 
1 1 1 5  13 7  o 18 3.63652e+02 1.37283e+01 1.24920e+02 64.759  2.33655e+00  4.95614e+00  0.00000e+00 0.00000e+00 3.42260e+02 64.759  2.17340e+02 64.759  0.9034 
1 1 1 5  13 8  o 6  3.56680e+02 1.64023e+01 1.95825e+02 304.861 4.61236e+00  -6.62118e+00 0.00000e+00 0.00000e+00 2.80624e+02 304.861 8.47986e+01 304.861 0.9358 
1 1 1 5  13 9  o 11 2.18625e+02 1.06468e+01 1.42081e+02 233.437 -1.96117e+00 -2.64428e+00 0.00000e+00 0.00000e+00 1.17879e+02 233.437 2.42024e+01 53.437  0.8295 
1 1 1 5  13 10 o 3  4.60751e+02 1.31627e+01 2.30663e+02 87.159  6.87079e-01  1.38437e+01  0.00000e+00 0.00000e+00 4.08605e+02 87.159  1.77942e+02 87.159  0.9632 
1 1 1 5  13 11 o 5  2.07642e+02 1.36778e+01 1.99595e+02 307.477 3.80452e+00  -4.96230e+00 0.00000e+00 0.00000e+00 7.58643e+01 307.477 1.23731e+02 127.477 0.9161 
1 1 1 5  13 12 o 6  3.27988e+02 1.42485e+01 1.71596e+02 225.425 -5.37044e+00 -5.45075e+00 0.00000e+00 0.00000e+00 2.73710e+02 225.425 1.02115e+02 225.425 0.9322 
1 1 1 5  13 13 f 0  3.53861e+02 1.48522e+01 2.22646e+02 172.966 -1.29647e+01 1.59962e+00  0.00000e+00 0.00000e+00 2.75746e+02 172.966 5.30996e+01 172.966 0.9609 
1 1 1 5  13 14 o 11 1.15102e+02 1.87052e+01 9.10778e+01 168.959 -2.03495e+00 3.97079e-01  0.00000e+00 0.00000e+00 2.94293e+01 168.959 6.16485e+01 348.959 0.7095 
1 1 1 5  13 16 o 14 3.06251e+02 1.64588e+01 2.15291e+02 298.648 6.45386e+00  -1.18135e+01 0.00000e+00 0.00000e+00 2.26155e+02 298.648 1.08640e+01 298.648 0.9621 
1 1 1 5  13 17 o 12 1.86792e+02 1.64491e+01 9.43683e+01 184.515 -4.34997e+00 -3.43477e-01 0.00000e+00 0.00000e+00 1.52884e+02 184.515 5.85160e+01 184.515 0.8762 
1 1 1 5  13 18 o 18 2.88517e+02 3.81422e+01 2.67485e+02 80.631  2.33632e+00  1.41604e+01  0.00000e+00 0.00000e+00 1.56644e+02 80.631  1.10841e+02 260.631 0.9645 
1 1 1 5  13 19 o 1  1.47921e+02 2.11039e+01 9.65386e+01 116.795 -1.10674e+00 2.19140e+00  0.00000e+00 0.00000e+00 7.64137e+01 116.795 2.01249e+01 296.795 0.7600 
1 1 1 5  13 20 o 17 1.17665e+02 2.73088e+01 1.58148e+02 316.039 2.84605e+00  -2.74467e+00 0.00000e+00 0.00000e+00 6.17870e-01 136.039 1.58766e+02 136.039 0.8617 
1 1 1 5  13 21 o 14 2.63125e+02 3.90235e+01 1.59548e+02 180.704 -7.48817e+00 -9.20030e-02 0.00000e+00 0.00000e+00 2.24840e+02 180.704 6.52921e+01 180.704 0.9306 
1 1 1 5  13 22 o 15 2.34043e+02 2.45260e+01 1.42021e+02 311.202 5.24376e+00  -5.98946e+00 0.00000e+00 0.00000e+00 2.05201e+02 311.202 6.31794e+01 311.202 0.9349 
1 1 1 5  13 23 o 7  1.70934e+02 3.51316e+01 1.23300e+02 355.239 5.38154e+00  -4.48240e-01 0.00000e+00 0.00000e+00 1.24136e+02 355.239 8.35884e-01 355.239 0.9019 
1 1 1 5  13 24 o 11 6.39515e+01 2.80532e+01 5.28097e+01 1.669   1.10789e+00  3.22863e-02  0.00000e+00 0.00000e+00 2.59385e+00 181.669 5.54035e+01 181.669 0.4835 
1 1 1 5  13 25 o 6  1.09170e+02 3.53805e+01 8.06917e+01 24.841  2.78465e+00  1.28912e+00  0.00000e+00 0.00000e+00 6.55966e+01 24.841  1.50951e+01 204.841 0.8149 
1 1 1 5  13 26 o 11 8.80877e+01 3.14853e+01 8.70778e+01 188.023 -2.86455e+00 -4.03782e-01 0.00000e+00 0.00000e+00 3.05535e+01 188.023 5.65243e+01 8.023   0.8017 
1 1 1 5  13 27 o 1  1.60263e+02 2.89787e+01 1.13828e+02 213.259 -7.79716e+00 -5.11388e+00 0.00000e+00 0.00000e+00 1.41753e+02 213.259 2.79252e+01 213.259 0.9448 
1 1 1 5  13 28 o 5  1.71726e+02 3.97723e+01 1.18529e+02 7.822   7.38883e+00  1.01497e+00  0.00000e+00 0.00000e+00 1.54915e+02 7.822   3.63858e+01 7.822   0.9303 
1 1 1 5  13 29 o 14 1.29654e+02 3.02694e+01 1.51527e+02 17.430  1.08784e+01  3.41528e+00  0.00000e+00 0.00000e+00 6.34904e+01 17.430  8.80365e+01 197.430 0.9551 
1 1 1 5  13 30 o 14 1.06652e+02 3.28142e+01 8.45581e+01 167.072 -5.35615e+00 1.22944e+00  0.00000e+00 0.00000e+00 8.53111e+01 167.072 7.53039e-01 167.072 0.9037 
1 1 1 5  13 31 o 17 5.35206e+01 2.52286e+01 4.53164e+01 160.052 -2.13861e+00 7.76194e-01  0.00000e+00 0.00000e+00 2.53894e+01 160.052 1.99270e+01 340.052 0.7382 
1 1 1 5  13 32 o 15 7.79506e+01 3.21605e+01 8.39314e+00 220.155 -3.69759e-01 -3.11975e-01 0.00000e+00 0.00000e+00 2.49284e+01 220.155 1.65353e+01 220.155 0.2351 
1 1 1 5  13 33 o 2  5.87321e+01 2.76604e+01 2.80213e+01 173.830 -1.59777e+00 1.72738e-01  0.00000e+00 0.00000e+00 3.94514e+01 173.830 1.14301e+01 173.830 0.6215 
1 1 1 5  13 34 o 1  5.15917e+01 2.53082e+01 1.11260e+01 13.330  6.33714e-01  1.50155e-01  0.00000e+00 0.00000e+00 1.88924e+01 13.330  7.76640e+00 13.330  0.3095 
1 1 1 5  13 35 o 13 5.96505e+01 2.86852e+01 4.94162e+00 317.452 2.30063e-01  -2.11172e-01 0.00000e+00 0.00000e+00 1.26617e+01 317.452 7.72006e+00 317.452 0.1543 
1 1 1 5  13 36 o 7  6.09282e+01 2.92282e+01 7.02990e+00 349.796 4.44029e-01  -7.99263e-02 0.00000e+00 0.00000e+00 1.90783e+01 349.796 1.20484e+01 349.796 0.2200 
1 1 1 5  14 0  o 1  3.51694e+01 2.14841e+01 1.60603e-01 90.000  -2.32632e-11 2.66100e-04  0.00000e+00 0.00000e+00 1.47268e-01 270.000 3.07871e-01 270.000 0.0003 
1 1 1 5  14 1  o 13 2.80169e+02 1.22721e+01 2.21836e+02 293.815 2.37110e+00  -5.37218e+00 0.00000e+00 0.00000e+00 1.41675e+02 293.815 8.01617e+01 113.815 0.9103 
1 1 1 5  14 2  o 2  8.66372e+01 1.38407e+01 4.62670e+00 19.455  3.53313e-02  1.24805e-02  0.00000e+00 0.00000e+00 2.31187e+00 199.455 6.93857e+00 199.455 0.0187 
1 1 1 5  14 3  f 0  6.50740e+02 1.81968e+01 2.50641e+02 189.091 -1.47255e+01 -2.35638e+00 0.00000e+00 0.00000e+00 6.46997e+02 189.091 3.96356e+02 189.091 0.9659 
1 1 1 5  14 4  o 2  2.35635e+02 1.44807e+01 3.80686e+02 286.726 3.14266e+00  -1.04579e+01 0.00000e+00 0.00000e+00 5.93953e+01 106.726 4.40081e+02 106.726 0.9531 
1 1 1 5  14 5  o 11 2.05014e+02 1.23786e+01 1.03660e+02 346.937 2.47681e+00  -5.74682e-01 0.00000e+00 0.00000e+00 1.22570e+02 346.937 1.89099e+01 346.937 0.7696 
1 1 1 5  14 6  o 6  5.05695e+02 1.58483e+01 5.10167e+02 82.574  3.63303e+00  2.78731e+01  0.00000e+00 0.00000e+00 2.03925e+02 82.574  3.06241e+02 262.574 0.9820 
1 1 1 5  14 7  o 5  2.02886e+02 1.24890e+01 1.39255e+02 224.084 -2.16207e+00 -2.09405e+00 0.00000e+00 0.00000e+00 9.80340e+01 224.084 4.12205e+01 44.084  0.8107 
1 1 1 5  14 8  o 14 3.48771e+02 1.38055e+01 1.42883e+02 154.937 -5.97643e+00 2.79491e+00  0.00000e+00 0.00000e+00 3.22145e+02 154.937 1.79262e+02 154.937 0.9207 
1 1 1 5  14 9  o 19 5.69298e+02 1.72120e+01 3.35402e+02 320.776 2.25833e+01  -1.84341e+01 0.00000e+00 0.00000e+00 4.78215e+02 320.776 1.42813e+02 320.776 0.9827 
1 1 1 5  14 10 o 15 1.55003e+02 1.33519e+01 9.73503e+01 50.626  1.61894e+00  1.97276e+00  0.00000e+00 0.00000e+00 7.71828e+01 50.626  2.01675e+01 230.626 0.7705 
1 1 1 5  14 11 f 0  3.60246e+02 1.24067e+01 2.17780e+02 131.590 -7.05462e+00 7.94861e+00  0.00000e+00 0.00000e+00 2.85897e+02 131.590 6.81165e+01 131.590 0.9517 
1 1 1 5  14 12 o 5  2.46595e+02 1.21029e+01 1.77356e+02 282.479 1.57452e+00  -7.11471e+00 0.00000e+00 0.00000e+00 1.61001e+02 282.479 1.63554e+01 102.479 0.9286 
1 1 1 5  14 13 o 11 4.55469e+01 1.80860e+01 4.49086e+01 323.790 3.27330e-01  -2.39653e-01 0.00000e+00 0.00000e+00 3.14459e+01 143.790 7.63545e+01 143.790 0.1988 
1 1 1 5  14 14 o 19 1.77421e+02 1.86691e+01 6.46402e+01 61.944  1.10941e+00  2.08155e+00  0.00000e+00 0.00000e+00 1.34235e+02 61.944  6.95944e+01 61.944  0.7487 
1 1 1 5  14 15 o 16 1.41041e+02 1.95900e+01 6.55552e+01 7.937   1.84835e+00  2.57684e-01  0.00000e+00 0.00000e+00 7.79214e+01 7.937   1.23662e+01 7.937   0.6745 
1 1 1 5  14 16 o 9  2.05340e+02 2.84522e+01 1.24597e+02 120.823 -2.96862e+00 4.97539e+00  0.00000e+00 0.00000e+00 1.59115e+02 120.823 3.45182e+01 120.823 0.9090 
1 1 1 5  14 17 o 17 7.81082e+01 2.47906e+01 9.03901e+01 158.493 -1.40017e+00 5.51735e-01  0.00000e+00 0.00000e+00 1.88796e+01 338.493 1.09270e+02 338.493 0.5974 
1 1 1 5  14 18 o 19 1.39964e+02 2.19394e+01 9.92274e+01 119.538 -1.54110e+00 2.71973e+00  0.00000e+00 0.00000e+00 7.79936e+01 119.538 2.12338e+01 299.538 0.8189 
1 1 1 5  14 19 f 0  2.35741e+02 2.17320e+01 2.37076e+02 273.148 5.63676e-01  -1.02502e+01 0.00000e+00 0.00000e+00 1.12444e+02 273.148 1.24632e+02 93.148  0.9500 
1 1 1 5  14 20 o 2  5.94772e+01 2.50989e+01 2.50421e+01 328.292 2.48723e-01  -1.53664e-01 0.00000e+00 0.00000e+00 1.14827e+01 148.292 3.65248e+01 148.292 0.1446 
1 1 1 5  14 21 o 11 1.98800e+02 2.12858e+01 1.20257e+02 44.898  3.53426e+00  3.52173e+00  0.00000e+00 0.00000e+00 1.62506e+02 44.898  4.22494e+01 44.898  0.8931 
1 1 1 5  14 22 f 0  1.96650e+02 2.35587e+01 2.13192e+02 72.673  3.77636e+00  1.21045e+01  0.00000e+00 0.00000e+00 9.06416e+01 72.673  1.22551e+02 252.673 0.9597 
1 1 1 5  14 23 o 5  1.96322e+02 4.17138e+01 2.02224e+02 188.229 -9.48153e+00 -1.37116e+00 0.00000e+00 0.00000e+00 1.00266e+02 188.229 1.01958e+02 8.229   0.9463 
1 1 1 5  14 24 o 12 7.92772e+01 3.26579e+01 1.03911e+02 307.661 1.56355e+00  -2.02585e+00 0.00000e+00 0.00000e+00 3.16546e+00 127.661 1.07077e+02 127.661 0.7713 
1 1 1 5  14 25 o 10 1.01577e+02 3.55340e+01 1.39587e+02 334.066 4.56405e+00  -2.21948e+00 0.00000e+00 0.00000e+00 1.20839e+01 334.066 1.27503e+02 154.067 0.8951 
1 1 1 5  14 26 o 1  1.14160e+02 2.91018e+01 2.31702e+01 247.483 -4.69390e-01 -1.13228e+00 0.00000e+00 0.00000e+00 7.72693e+01 247.483 5.40991e+01 247.483 0.5207 
1 1 1 5  14 27 o 5  6.59470e+01 2.82468e+01 3.55740e+01 347.649 1.21784e+00  -2.66676e-01 0.00000e+00 0.00000e+00 2.39429e+01 347.649 1.16311e+01 167.649 0.5270 
1 1 1 5  14 28 o 6  5.74636e+01 2.59045e+01 1.74664e+01 292.828 2.44378e-01  -5.80556e-01 0.00000e+00 0.00000e+00 1.24970e+01 292.828 4.96941e+00 112.828 0.3003 
1 1 1 5  14 29 o 11 9.60950e+01 3.18233e+01 8.50346e+01 99.861  -8.29687e-01 4.77293e+00  0.00000e+00 0.00000e+00 6.55615e+01 99.861  1.94731e+01 279.861 0.8896 
1 1 1 5  14 30 o 18 9.83556e+01 3.23914e+01 3.33047e+01 337.727 1.99439e+00  -8.16861e-01 0.00000e+00 0.00000e+00 9.36070e+01 337.727 6.03023e+01 337.727 0.7217 
1 1 1 5  14 31 o 1  8.26584e+01 3.23567e+01 9.60580e+00 37.101  4.47621e-01  3.38542e-01  0.00000e+00 0.00000e+00 3.09332e+01 37.101  2.13274e+01 37.101  0.2701 
1 1 1 5  14 32 o 17 5.41966e+01 2.59024e+01 3.08498e+01 121.943 -8.70432e-01 1.39607e+00  0.00000e+00 0.00000e+00 3.21400e+01 121.943 1.29018e+00 121.943 0.6300 
1 1 1 5  14 33 o 3  5.94860e+01 2.82359e+01 1.70470e+01 100.856 -1.87577e-01 9.78133e-01  0.00000e+00 0.00000e+00 3.25879e+01 100.856 1.55408e+01 100.856 0.4450 
1 1 1 5  14 34 o 19 5.17901e+01 2.53935e+01 2.34809e+01 337.288 1.37786e+00  -5.76706e-01 0.00000e+00 0.00000e+00 3.52466e+01 337.288 1.17657e+01 337.288 0.5946 
1 1 1 5  14 35 o 8  6.08425e+01 2.91569e+01 3.70607e+01 310.692 1.50945e+00  -1.75541e+00 0.00000e+00 0.00000e+00 5.07046e+01 310.692 1.36440e+01 310.692 0.7433 
1 1 1 5  14 36 o 8  4.59713e+01 2.31274e+01 1.49035e+01 114.913 -4.47324e-01 9.63126e-01  0.00000e+00 0.00000e+00 2.75949e+01 114.913 1.26914e+01 114.913 0.4679 
1 1 1 5  15 0  o 17 1.97119e+02 1.45799e+01 2.43883e+01 270.000 -1.64335e-17 -2.68379e-01 0.00000e+00 0.00000e+00 5.03817e+01 270.000 2.59935e+01 270.000 0.2621 
1 1 1 5  15 1  o 10 3.18976e+02 1.28367e+01 2.63992e+02 84.766  8.51670e-01  9.29671e+00  0.00000e+00 0.00000e+00 1.72244e+02 84.766  9.17479e+01 264.766 0.9448 
1 1 1 5  15 2  o 8  5.81339e+02 1.69204e+01 3.98245e+02 217.288 -2.00828e+01 -1.52921e+01 0.00000e+00 0.00000e+00 4.27019e+02 217.288 2.87737e+01 217.288 0.9800 
1 1 1 5  15 3  o 3  3.13078e+02 1.55534e+01 2.99660e+02 264.338 -1.00110e+00 -1.00977e+01 0.00000e+00 0.00000e+00 1.31440e+02 264.338 1.68221e+02 84.338  0.9494 
1 1 1 5  15 4  f 0  5.02713e+02 1.90708e+01 4.91241e+02 31.272  2.22610e+01  1.35200e+01  0.00000e+00 0.00000e+00 2.25025e+02 31.272  2.66216e+02 211.272 0.9806 
1 1 1 5  15 5  o 16 1.47521e+02 1.25882e+01 1.36622e+01 192.568 -2.66216e-01 -5.93528e-02 0.00000e+00 0.00000e+00 1.53665e+01 192.568 1.70428e+00 192.568 0.1351 
1 1 1 5  15 6  o 8  8.14507e+01 2.26083e+01 5.48773e+01 185.117 -5.69137e-01 -5.09619e-02 0.00000e+00 0.00000e+00 2.22097e+01 5.117   7.70870e+01 5.117   0.2746 
1 1 1 5  15 7  o 15 1.58255e+02 1.34856e+01 2.46786e+02 353.409 6.02285e+00  -6.95887e-01 0.00000e+00 0.00000e+00 3.50206e+01 173.409 2.81806e+02 173.409 0.9133 
1 1 1 5  15 8  o 11 5.19141e+02 1.64677e+01 3.30455e+02 242.769 -1.32770e+01 -2.57998e+01 0.00000e+00 0.00000e+00 4.19754e+02 242.769 8.92999e+01 242.769 0.9826 
1 1 1 5  15 9  o 13 4.40688e+01 1.79183e+01 1.18929e+02 125.243 -4.10498e-01 5.81000e-01  0.00000e+00 0.00000e+00 9.71278e+01 305.243 2.16056e+02 305.243 0.3349 
1 1 1 5  15 10 o 17 1.34468e+02 1.24430e+01 2.55732e+01 148.014 -4.97782e-01 3.10875e-01  0.00000e+00 0.00000e+00 3.06017e+01 148.014 5.02846e+00 148.014 0.2815 
1 1 1 5  15 11 o 14 3.46213e+02 1.23907e+01 1.23196e+02 178.189 -8.94477e+00 2.82868e-01  0.00000e+00 0.00000e+00 3.63564e+02 178.189 2.40368e+02 178.189 0.9424 
1 1 1 5  15 12 o 6  5.68619e+01 1.85415e+01 1.60271e+02 40.849  1.32007e+00  1.14143e+00  0.00000e+00 0.00000e+00 1.04708e+02 220.849 2.64979e+02 220.849 0.6512 
1 1 1 5  15 13 o 19 1.82676e+02 2.98506e+01 1.39761e+02 263.100 -5.80240e-01 -4.79473e+00 0.00000e+00 0.00000e+00 1.05559e+02 263.100 3.42024e+01 83.100  0.8893 
1 1 1 5  15 14 o 16 1.99665e+02 4.09459e+01 1.90002e+02 270.412 4.84322e-02  -6.73520e+00 0.00000e+00 0.00000e+00 9.00350e+01 270.412 9.99670e+01 90.412  0.9225 
1 1 1 5  15 15 o 15 1.22841e+02 3.53339e+01 1.29298e+02 28.463  2.94446e+00  1.59625e+00  0.00000e+00 0.00000e+00 2.73928e+01 28.463  1.01906e+02 208.463 0.8328 
1 1 1 5  15 17 o 9  2.90192e+02 3.79171e+01 1.96014e+02 27.670  9.77502e+00  5.12537e+00  0.00000e+00 0.00000e+00 2.34701e+02 27.670  3.86871e+01 27.670  0.9536 
1 1 1 5  15 19 o 2  1.31740e+02 5.12304e+01 1.39351e+02 216.177 -2.23840e+00 -1.63685e+00 0.00000e+00 0.00000e+00 2.59662e+01 216.177 1.13385e+02 36.177  0.7917 
1 1 1 5  15 20 o 14 7.46810e+01 2.73973e+01 3.48234e+01 2.030   5.22991e-01  1.85359e-02  0.00000e+00 0.00000e+00 4.56806e+00 182.030 3.93915e+01 182.030 0.2531 
1 1 1 5  15 21 o 17 2.04830e+02 4.16423e+01 2.11505e+02 16.759  9.09969e+00  2.74024e+00  0.00000e+00 0.00000e+00 1.01828e+02 16.759  1.09677e+02 196.759 0.9458 
1 1 1 5  15 22 o 9  2.37936e+02 2.34758e+01 1.92755e+02 356.867 1.55798e+01  -8.52795e-01 0.00000e+00 0.00000e+00 1.83585e+02 356.867 9.16996e+00 176.867 0.9674 
1 1 1 5  15 23 o 19 1.48390e+02 2.74697e+01 1.35056e+02 264.967 -6.01195e-01 -6.82582e+00 0.00000e+00 0.00000e+00 9.16397e+01 264.967 4.34161e+01 84.967  0.9238 
1 1 1 5  15 24 o 6  1.24134e+02 4.00785e+01 2.17136e+02 173.607 -8.85227e+00 9.91871e-01  0.00000e+00 0.00000e+00 2.14482e+01 353.607 2.38585e+02 353.607 0.9421 
1 1 1 5  15 25 o 9  7.90591e+01 2.96359e+01 5.16836e+01 187.795 -1.87369e+00 -2.56486e-01 0.00000e+00 0.00000e+00 3.92697e+01 187.795 1.24140e+01 7.795   0.6791 
1 1 1 5  15 26 o 19 7.86523e+01 3.22782e+01 1.07044e+02 325.044 3.23480e+00  -2.26134e+00 0.00000e+00 0.00000e+00 9.22870e+00 325.044 9.78158e+01 145.044 0.8614 
1 1 1 5  15 27 o 18 1.77672e+02 3.06052e+01 1.17268e+02 48.260  6.62947e+00  7.43026e+00  0.00000e+00 0.00000e+00 1.75783e+02 48.260  5.85152e+01 48.260  0.9484 
1 1 1 5  15 28 f 0  7.83964e+01 2.94104e+01 7.44050e+01 347.682 3.52126e+00  -7.68947e-01 0.00000e+00 0.00000e+00 4.26050e+01 347.682 3.18000e+01 167.682 0.8464 
1 1 1 5  15 29 o 4  1.12485e+02 3.42639e+01 1.06888e+02 198.626 -6.83651e+00 -2.30419e+00 0.00000e+00 0.00000e+00 7.98295e+01 198.626 2.70581e+01 18.626  0.9279 
1 1 1 5  15 30 o 5  6.54117e+01 2.87079e+01 3.67620e+01 106.650 -5.81548e-01 1.94461e+00  0.00000e+00 0.00000e+00 4.66888e+01 106.650 9.92680e+00 106.650 0.7026 
1 1 1 5  15 31 o 2  5.73580e+01 2.66518e+01 3.41506e+01 333.757 1.65505e+00  -8.15922e-01 0.00000e+00 0.00000e+00 3.67814e+01 333.757 2.63078e+00 333.757 0.6707 
1 1 1 5  15 32 o 17 6.06324e+01 2.82281e+01 3.04651e+01 296.324 7.73471e-01  -1.56332e+00 0.00000e+00 0.00000e+00 4.34811e+01 296.324 1.30161e+01 296.324 0.6510 
1 1 1 5  15 33 o 12 5.03382e+01 2.47228e+01 2.55680e+01 329.913 1.29891e+00  -7.52563e-01 0.00000e+00 0.00000e+00 3.16092e+01 329.913 6.04116e+00 329.913 0.5964 
1 1 1 5  15 34 o 10 4.52621e+01 2.27019e+01 6.55698e+00 313.591 3.13043e-01  -3.28826e-01 0.00000e+00 0.00000e+00 1.28483e+01 313.591 6.29134e+00 313.591 0.2213 
1 1 1 5  15 35 o 4  4.52790e+01 2.28150e+01 1.02957e+01 139.659 -5.47052e-01 4.64611e-01  0.00000e+00 0.00000e+00 1.98298e+01 139.659 9.53412e+00 139.659 0.3376 
1 1 1 5  16 0  f 0  4.30884e+02 1.76943e+01 2.67079e+02 270.000 6.70357e-07  -7.66799e+00 0.00000e+00 0.00000e+00 3.66854e+02 270.000 9.97743e+01 270.000 1.0000 
1 1 1 5  16 1  o 4  3.93458e+02 1.39213e+01 2.82507e+02 162.584 -1.40529e+01 4.40825e+00  0.00000e+00 0.00000e+00 2.76493e+02 162.584 6.01385e+00 342.584 0.9654 
1 1 1 5  16 2  o 15 3.99210e+01 1.57730e+01 2.66343e+01 172.141 -1.66537e-01 2.29874e-02  0.00000e+00 0.00000e+00 2.17097e+01 352.141 4.83440e+01 352.141 0.0838 
1 1 1 5  16 3  o 19 2.67934e+02 1.51307e+01 2.32438e+02 314.968 6.90424e+00  -6.91183e+00 0.00000e+00 0.00000e+00 1.41850e+02 314.968 9.05874e+01 134.968 0.9473 
1 1 1 5  16 4  o 19 2.15591e+02 1.27988e+01 2.27242e+02 106.461 -2.16338e+00 7.32178e+00  0.00000e+00 0.00000e+00 6.95706e+01 106.461 1.57671e+02 286.461 0.9320 
1 1 1 5  16 5  o 17 2.60196e+02 1.29608e+01 5.39822e+01 296.655 1.09435e+00  -2.18017e+00 0.00000e+00 0.00000e+00 2.38117e+02 296.655 1.84134e+02 296.655 0.7582 
1 1 1 5  16 6  o 11 3.36493e+02 1.18494e+01 2.91991e+02 236.358 -9.28884e+00 -1.39587e+01 0.00000e+00 0.00000e+00 1.92449e+02 236.358 9.95420e+01 56.358  0.9697 
1 1 1 5  16 7  o 15 5.09963e+01 1.82119e+01 9.00907e+01 38.999  4.84266e-01  3.92138e-01  0.00000e+00 0.00000e+00 6.75033e+01 218.999 1.57594e+02 218.999 0.2974 
1 1 1 5  16 8  o 10 4.37765e+02 1.53694e+01 2.74933e+02 72.719  6.08541e+00  1.95609e+01  0.00000e+00 0.00000e+00 3.63421e+02 72.719  8.84879e+01 72.719  0.9753 
1 1 1 5  16 9  o 5  1.77546e+02 1.53204e+01 1.53825e+02 209.816 -3.91912e+00 -2.24594e+00 0.00000e+00 0.00000e+00 8.10072e+01 209.816 7.28175e+01 29.816  0.8808 
1 1 1 5  16 10 o 10 3.25750e+01 1.40687e+01 1.20208e+02 262.115 -1.10079e-01 -7.94879e-01 0.00000e+00 0.00000e+00 1.01922e+02 82.116  2.22130e+02 82.116  0.3721 
1 1 1 5  16 11 o 4  1.24308e+02 1.41651e+01 4.09866e+01 267.589 -4.61360e-02 -1.09560e+00 0.00000e+00 0.00000e+00 4.94362e+01 267.589 8.44968e+00 267.589 0.4796 
1 1 1 5  16 12 o 14 2.95049e+02 1.28913e+01 1.91460e+02 61.208  5.85569e+00  1.06550e+01  0.00000e+00 0.00000e+00 2.39750e+02 61.208  4.82900e+01 61.208  0.9579 
1 1 1 5  16 13 o 14 9.00698e+01 2.04485e+01 1.31830e+02 298.285 1.19734e+00  -2.22509e+00 0.00000e+00 0.00000e+00 2.56445e+01 118.285 1.57474e+02 118.285 0.7679 
1 1 1 5  16 14 o 9  1.71135e+02 4.62201e+01 1.51277e+02 137.091 -3.48428e+00 3.23882e+00  0.00000e+00 0.00000e+00 8.34812e+01 137.091 6.77955e+01 317.091 0.8874 
1 1 1 5  16 15 o 8  1.28027e+02 2.09319e+01 1.23137e+02 95.849  -3.54888e-01 3.46436e+00  0.00000e+00 0.00000e+00 4.43577e+01 95.849  7.87793e+01 275.849 0.8402 
1 1 1 5  16 16 o 10 2.25148e+02 4.08446e+01 2.22359e+02 252.576 -2.81470e+00 -8.96834e+00 0.00000e+00 0.00000e+00 1.11617e+02 252.576 1.10742e+02 72.576  0.9452 
1 1 1 5  16 17 o 6  1.12203e+02 2.40688e+01 6.20036e+01 273.437 7.65958e-02  -1.27536e+00 0.00000e+00 0.00000e+00 3.31990e+01 273.437 2.88046e+01 93.437  0.5362 
1 1 1 5  16 18 o 5  2.11324e+02 2.08241e+01 1.34348e+02 9.300   5.78108e+00  9.46699e-01  0.00000e+00 0.00000e+00 1.72698e+02 9.300   3.83497e+01 9.300   0.9101 
1 1 1 5  16 19 o 11 7.77605e+01 2.71962e+01 4.20237e+01 59.682  3.35379e-01  5.73514e-01  0.00000e+00 0.00000e+00 2.53754e+00 239.682 4.45613e+01 239.682 0.3151 
1 1 1 5  16 20 o 1  1.89737e+02 2.40712e+01 1.33442e+02 125.692 -4.11503e+00 5.72829e+00  0.00000e+00 0.00000e+00 1.52522e+02 125.692 1.90799e+01 125.692 0.9261 
1 1 1 5  16 21 o 10 1.52660e+02 4.46170e+01 1.34944e+02 187.739 -4.98819e+00 -6.77856e-01 0.00000e+00 0.00000e+00 8.95090e+01 187.739 4.54348e+01 7.739   0.8942 
1 1 1 5  16 22 o 10 1.03316e+02 3.05724e+01 5.55294e+01 239.294 -9.30191e-01 -1.56627e+00 0.00000e+00 0.00000e+00 5.88812e+01 239.294 3.35178e+00 239.294 0.6662 
1 1 1 5  16 23 o 7  1.49015e+02 2.53236e+01 1.26000e+02 1.185   7.99635e+00  1.65343e-01  0.00000e+00 0.00000e+00 1.08295e+02 1.185   1.77045e+01 181.185 0.9352 
1 1 1 5  16 24 o 3  8.08801e+01 3.01962e+01 6.20957e+01 323.484 1.57446e+00  -1.16572e+00 0.00000e+00 0.00000e+00 3.29739e+01 323.484 2.91218e+01 143.484 0.6909 
1 1 1 5  16 25 o 14 8.51380e+01 2.96251e+01 9.96664e+01 172.823 -3.90298e+00 4.91480e-01  0.00000e+00 0.00000e+00 2.65810e+01 172.823 7.30854e+01 352.823 0.8609 
1 1 1 5  16 26 o 17 7.02240e+01 3.07081e+01 4.65420e+01 64.351  6.53892e-01  1.36181e+00  0.00000e+00 0.00000e+00 2.68171e+01 64.351  1.97249e+01 244.351 0.5988 
1 1 1 5  16 27 o 2  7.81454e+01 3.08564e+01 9.16517e+00 167.085 -4.00154e-01 9.17553e-02  0.00000e+00 0.00000e+00 1.86164e+01 167.085 9.45128e+00 167.085 0.2011 
1 1 1 5  16 28 o 3  8.24597e+01 3.09219e+01 8.95919e+01 36.276  3.89284e+00  2.85705e+00  0.00000e+00 0.00000e+00 4.18739e+01 36.276  4.77180e+01 216.276 0.8893 
1 1 1 5  16 29 o 1  7.72128e+01 3.19946e+01 6.83400e+01 310.454 2.27193e+00  -2.66441e+00 0.00000e+00 0.00000e+00 4.97922e+01 310.454 1.85478e+01 130.454 0.8412 
1 1 1 5  16 30 o 17 4.38212e+01 2.15912e+01 5.23590e+01 177.830 -2.57803e+00 9.77007e-02  0.00000e+00 0.00000e+00 1.02081e+01 177.830 4.21509e+01 357.830 0.7734 
1 1 1 5  16 31 o 8  5.58174e+01 2.62295e+01 2.19474e+01 145.880 -1.00274e+00 6.79408e-01  0.00000e+00 0.00000e+00 3.20730e+01 145.880 1.01255e+01 145.880 0.5162 
1 1 1 5  16 32 o 6  7.16778e+01 3.14304e+01 2.32530e+01 204.682 -1.25379e+00 -5.76197e-01 0.00000e+00 0.00000e+00 5.38839e+01 204.682 3.06310e+01 204.682 0.5650 
1 1 1 5  16 33 o 4  5.60141e+01 2.68515e+01 3.21750e+01 313.430 1.38515e+00  -1.46322e+00 0.00000e+00 0.00000e+00 4.37643e+01 313.430 1.15893e+01 313.430 0.7002 
1 1 1 5  16 34 o 9  4.29232e+01 2.17111e+01 2.41417e+01 315.123 1.20179e+00  -1.19663e+00 0.00000e+00 0.00000e+00 3.00357e+01 315.123 5.89401e+00 315.123 0.6410 
1 1 1 5  16 35 o 18 5.43932e+01 2.66052e+01 3.88745e+01 139.980 -1.96472e+00 1.64975e+00  0.00000e+00 0.00000e+00 4.52593e+01 139.980 6.38479e+00 139.980 0.7719 
1 1 1 5  17 0  o 11 3.56131e+01 2.04964e+01 7.96426e+01 270.000 -1.47452e-17 -2.40807e-01 0.00000e+00 0.00000e+00 6.70441e+01 90.000  1.46687e+02 90.000  0.2363 
1 1 1 5  17 1  o 14 1.50233e+02 1.32018e+01 5.88299e+01 189.718 -1.48319e+00 -2.54003e-01 0.00000e+00 0.00000e+00 7.55707e+01 189.718 1.67408e+01 189.718 0.5973 
1 1 1 5  17 2  o 10 2.79801e+02 1.55847e+01 2.72832e+02 57.569  6.87172e+00  1.08151e+01  0.00000e+00 0.00000e+00 1.29840e+02 57.569  1.42992e+02 237.569 0.9601 
1 1 1 5  17 3  o 1  3.10301e+02 1.58723e+01 2.44896e+02 86.436  6.53158e-01  1.04871e+01  0.00000e+00 0.00000e+00 1.98043e+02 86.436  4.68534e+01 266.436 0.9512 
1 1 1 5  17 4  o 1  4.16791e+02 1.46845e+01 2.00880e+02 276.286 1.25630e+00  -1.14052e+01 0.00000e+00 0.00000e+00 3.97765e+02 276.286 1.96885e+02 276.286 0.9554 
1 1 1 5  17 5  o 15 1.73775e+02 1.39967e+01 5.66878e+01 328.160 1.44515e+00  -8.97422e-01 0.00000e+00 0.00000e+00 1.11436e+02 328.160 5.47478e+01 328.160 0.6421 
1 1 1 5  17 6  o 19 3.75019e+02 1.37149e+01 2.48993e+02 270.867 2.39743e-01  -1.58364e+01 0.00000e+00 0.00000e+00 2.99473e+02 270.867 5.04795e+01 270.867 0.9679 
1 1 1 5  17 7  o 19 3.81649e+02 1.25129e+01 2.34741e+02 182.998 -1.89877e+01 -9.94368e-01 0.00000e+00 0.00000e+00 3.28401e+02 182.998 9.36597e+01 182.998 0.9733 
1 1 1 5  17 8  o 1  1.07045e+02 1.84536e+01 1.41018e+02 147.790 -2.50535e+00 1.57829e+00  0.00000e+00 0.00000e+00 9.55465e+00 327.790 1.50573e+02 327.790 0.8071 
1 1 1 5  17 9  o 5  3.43002e+02 1.50504e+01 2.45553e+02 356.811 1.63488e+01  -9.10960e-01 0.00000e+00 0.00000e+00 2.62372e+02 356.811 1.68182e+01 356.811 0.9690 
1 1 1 5  17 11 o 12 1.34454e+02 1.46945e+01 1.30574e+02 55.333  2.10327e+00  3.04124e+00  0.00000e+00 0.00000e+00 4.60206e+01 55.333  8.45533e+01 235.333 0.8508 
1 1 1 5  17 12 o 18 2.13936e+02 2.68364e+01 2.43395e+02 189.206 -1.20914e+01 -1.95959e+00 0.00000e+00 0.00000e+00 7.49268e+01 189.206 1.68469e+02 9.206   0.9583 
1 1 1 5  17 13 o 12 2.10715e+02 2.98044e+01 1.57443e+02 323.563 5.65148e+00  -4.17221e+00 0.00000e+00 0.00000e+00 1.47380e+02 323.563 1.00625e+01 143.563 0.9258 
1 1 1 5  17 14 o 17 2.11806e+02 2.79838e+01 1.53749e+02 7.153   6.71168e+00  8.42288e-01  0.00000e+00 0.00000e+00 1.53744e+02 7.153   4.54792e-03 187.153 0.9228 
1 1 1 5  17 15 o 9  3.25667e+02 1.65218e+01 1.55504e+02 43.667  6.60414e+00  6.30381e+00  0.00000e+00 0.00000e+00 3.31460e+02 43.667  1.75957e+02 43.667  0.9435 
1 1 1 5  17 16 o 6  1.17450e+02 2.48937e+01 1.17363e+02 318.442 1.88613e+00  -1.67209e+00 0.00000e+00 0.00000e+00 2.65603e+01 318.442 9.08027e+01 138.442 0.7672 
1 1 1 5  17 18 o 1  1.14488e+02 2.36232e+01 4.70344e+01 172.405 -1.12474e+00 1.49978e-01  0.00000e+00 0.00000e+00 4.45045e+01 172.405 2.52989e+00 352.405 0.4921 
1 1 1 5  17 19 o 3  1.30422e+02 4.34825e+01 1.69195e+02 44.104  3.41418e+00  3.30899e+00  0.00000e+00 0.00000e+00 2.06120e+01 44.104  1.48583e+02 224.104 0.8874 
1 1 1 5  17 20 o 13 5.09837e+01 2.30188e+01 3.09628e+01 319.071 4.15725e-01  -3.60479e-01 0.00000e+00 0.00000e+00 8.56767e+00 139.071 3.95305e+01 139.071 0.2652 
1 1 1 5  17 21 o 18 1.42672e+02 2.58406e+01 7.42459e+01 321.423 2.85219e+00  -2.27501e+00 0.00000e+00 0.00000e+00 1.28340e+02 321.423 5.40943e+01 321.423 0.8485 
1 1 1 5  17 22 o 14 1.06309e+02 3.02332e+01 9.43677e+01 210.941 -3.36326e+00 -2.01616e+00 0.00000e+00 0.00000e+00 6.03770e+01 210.941 3.39907e+01 30.941  0.8604 
1 1 1 5  17 23 f 0  7.62243e+01 2.92875e+01 1.08684e+02 184.249 -3.37443e+00 -2.50718e-01 0.00000e+00 0.00000e+00 1.91949e-01 184.249 1.08492e+02 4.249   0.8348 
1 1 1 5  17 24 o 18 7.14857e+01 2.82156e+01 9.91213e+01 8.810   3.38263e+00  5.24269e-01  0.00000e+00 0.00000e+00 4.47413e+00 8.810   9.46472e+01 188.810 0.8370 
1 1 1 5  17 25 o 11 1.46397e+02 2.80314e+01 1.15480e+02 349.347 8.91992e+00  -1.67782e+00 0.00000e+00 0.00000e+00 1.26570e+02 349.347 1.10896e+01 349.347 0.9432 
1 1 1 5  17 26 o 12 9.40705e+01 4.03241e+01 4.83663e+01 100.269 -3.33590e-01 1.84127e+00  0.00000e+00 0.00000e+00 6.44594e+01 100.269 1.60931e+01 100.269 0.6755 
1 1 1 5  17 27 o 14 7.00082e+01 2.84053e+01 5.35442e+01 311.858 1.66624e+00  -1.85977e+00 0.00000e+00 0.00000e+00 4.27914e+01 311.858 1.07528e+01 131.858 0.7647 
1 1 1 5  17 28 o 2  6.21659e+01 2.72527e+01 3.57299e+01 238.428 -9.02157e-01 -1.46802e+00 0.00000e+00 0.00000e+00 3.76201e+01 238.428 1.89020e+00 238.428 0.6466 
1 1 1 5  17 29 o 8  5.47382e+01 2.58008e+01 1.20038e+01 147.409 -5.28000e-01 3.37559e-01  0.00000e+00 0.00000e+00 1.82826e+01 147.409 6.27878e+00 147.409 0.2989 
1 1 1 5  17 30 o 6  6.80476e+01 2.97612e+01 4.47400e+01 276.072 2.60908e-01  -2.45257e+00 0.00000e+00 0.00000e+00 5.25919e+01 276.072 7.85186e+00 276.072 0.7613 
1 1 1 5  17 31 o 13 4.85798e+01 2.36688e+01 1.05797e+01 309.212 4.13224e-01  -5.06445e-01 0.00000e+00 0.00000e+00 1.82022e+01 309.212 7.62250e+00 309.212 0.3105 
1 1 1 5  17 32 o 1  8.49985e+01 3.48652e+01 3.91390e+01 139.572 -1.78756e+00 1.52286e+00  0.00000e+00 0.00000e+00 8.40173e+01 139.572 4.48783e+01 139.572 0.7474 
1 1 1 5  17 33 o 14 6.97180e+01 3.15433e+01 1.33085e+01 115.386 -3.51140e-01 7.39969e-01  0.00000e+00 0.00000e+00 3.87090e+01 115.386 2.54005e+01 115.386 0.3786 
1 1 1 5  17 34 o 6  4.44286e+01 2.23509e+01 1.27722e+01 135.122 -6.54162e-01 6.51382e-01  0.00000e+00 0.00000e+00 2.44916e+01 135.122 1.17194e+01 135.122 0.4185 
1 1 1 5  18 0  o 17 4.48260e+01 2.31397e+01 1.24964e+02 90.000  -4.11391e-08 4.70577e-01  0.00000e+00 0.00000e+00 9.49656e+01 270.000 2.19929e+02 270.000 0.4387 
1 1 1 5  18 1  o 15 2.36059e+02 1.08772e+01 1.60523e+02 335.679 5.90480e+00  -2.66873e+00 0.00000e+00 0.00000e+00 1.70592e+02 335.679 1.00689e+01 335.679 0.9192 
1 1 1 5  18 2  o 2  4.70569e+02 1.87423e+01 2.50257e+02 311.150 1.61890e+01  -1.85255e+01 0.00000e+00 0.00000e+00 4.53587e+02 311.150 2.03330e+02 311.150 0.9795 
1 1 1 5  18 3  o 3  3.07184e+02 1.36501e+01 1.02324e+02 92.268  -2.64727e-01 6.68363e+00  0.00000e+00 0.00000e+00 3.30677e+02 92.268  2.28353e+02 92.268  0.9219 
1 1 1 5  18 4  o 9  1.78332e+02 1.39232e+01 1.42662e+02 141.244 -4.16926e+00 3.34693e+00  0.00000e+00 0.00000e+00 1.03407e+02 141.244 3.92552e+01 321.244 0.9008 
1 1 1 5  18 5  o 10 6.23700e+02 1.83543e+01 3.83891e+02 198.705 -4.47599e+01 -1.51550e+01 0.00000e+00 0.00000e+00 5.63429e+02 198.705 1.79538e+02 198.705 0.9894 
1 1 1 5  18 6  o 14 4.40626e+02 1.83610e+01 2.63916e+02 40.154  1.72503e+01  1.45542e+01  0.00000e+00 0.00000e+00 3.99212e+02 40.154  1.35296e+02 40.154  0.9776 
1 1 1 5  18 7  o 10 1.74032e+02 1.51701e+01 1.08598e+02 28.710  3.57137e+00  1.95611e+00  0.00000e+00 0.00000e+00 1.24242e+02 28.710  1.56439e+01 28.710  0.8662 
1 1 1 5  18 8  o 8  4.67369e+02 1.93764e+01 2.65389e+02 219.780 -2.01705e+01 -1.67933e+01 0.00000e+00 0.00000e+00 4.45267e+02 219.780 1.79878e+02 219.780 0.9808 
1 1 1 5  18 9  o 1  1.12886e+02 2.02752e+01 8.37963e+01 33.425  1.72802e+00  1.14048e+00  0.00000e+00 0.00000e+00 4.08247e+01 33.425  4.29716e+01 213.425 0.7090 
1 1 1 5  18 10 o 3  1.70275e+02 2.10989e+01 1.42164e+02 30.482  4.42897e+00  2.60694e+00  0.00000e+00 0.00000e+00 9.66652e+01 30.482  4.54991e+01 210.482 0.8965 
1 1 1 5  18 11 o 19 8.89710e+01 1.80719e+01 3.95924e+01 178.124 -8.35818e-01 2.73769e-02  0.00000e+00 0.00000e+00 1.43366e+01 178.124 2.52558e+01 358.124 0.3854 
1 1 1 5  18 12 o 1  1.37371e+02 1.60038e+01 1.12297e+02 259.144 -6.74690e-01 -3.51813e+00 0.00000e+00 0.00000e+00 7.13978e+01 259.144 4.08996e+01 79.144  0.8453 
1 1 1 5  18 13 o 18 1.02262e+02 1.89720e+01 5.99602e+01 123.980 -8.16308e-01 1.21115e+00  0.00000e+00 0.00000e+00 3.54778e+01 123.980 2.44824e+01 303.980 0.5862 
1 1 1 5  18 14 o 19 3.31192e+02 2.87817e+01 2.16933e+02 242.272 -5.55536e+00 -1.05687e+01 0.00000e+00 0.00000e+00 2.91178e+02 242.272 7.42452e+01 242.272 0.9572 
1 1 1 5  18 15 o 17 1.46893e+02 1.98311e+01 1.21485e+02 284.485 1.03630e+00  -4.01147e+00 0.00000e+00 0.00000e+00 8.45748e+01 284.485 3.69106e+01 104.485 0.8688 
1 1 1 5  18 16 o 5  1.69592e+02 1.82832e+01 1.33034e+02 103.268 -1.09133e+00 4.62808e+00  0.00000e+00 0.00000e+00 1.11858e+02 103.268 2.11753e+01 283.268 0.8874 
1 1 1 5  18 17 o 1  9.12017e+01 2.54646e+01 7.09284e+01 325.560 1.10930e+00  -7.60690e-01 0.00000e+00 0.00000e+00 1.21934e+01 325.560 5.87350e+01 145.560 0.5554 
1 1 1 5  18 18 o 4  1.27887e+02 2.26993e+01 5.16454e+01 317.927 1.40076e+00  -1.26449e+00 0.00000e+00 0.00000e+00 9.19632e+01 317.927 4.03179e+01 317.927 0.6783 
1 1 1 5  18 19 o 8  1.32189e+02 2.37637e+01 9.95561e+01 154.221 -4.10913e+00 1.98455e+00  0.00000e+00 0.00000e+00 9.52977e+01 154.221 4.25836e+00 334.221 0.8822 
1 1 1 5  18 20 o 13 1.35563e+02 2.73204e+01 1.38336e+02 74.004  1.74972e+00  6.10378e+00  0.00000e+00 0.00000e+00 7.15420e+01 74.004  6.67945e+01 254.004 0.9175 
1 1 1 5  18 21 o 1  9.62529e+01 2.86789e+01 1.54124e+01 13.401  5.84739e-01  1.39318e-01  0.00000e+00 0.00000e+00 3.18105e+01 13.401  1.63981e+01 13.401  0.2877 
1 1 1 5  18 22 o 18 7.30717e+01 2.84205e+01 1.04101e+02 294.151 1.30176e+00  -2.90324e+00 0.00000e+00 0.00000e+00 5.01517e-01 114.151 1.04603e+02 114.151 0.8226 
1 1 1 5  18 23 o 17 6.24223e+01 2.57424e+01 7.35152e+01 210.774 -1.99500e+00 -1.18802e+00 0.00000e+00 0.00000e+00 7.46322e+00 210.774 6.60520e+01 30.774  0.7442 
1 1 1 5  18 24 o 7  4.07911e+01 1.98447e+01 7.37686e+01 166.150 -1.94048e+00 4.78418e-01  0.00000e+00 0.00000e+00 2.35753e+01 346.150 9.73439e+01 346.150 0.6975 
1 1 1 5  18 25 o 12 4.72763e+01 2.21904e+01 2.12204e+01 340.657 5.58813e-01  -1.96170e-01 0.00000e+00 0.00000e+00 2.74681e+00 340.657 1.84736e+01 160.657 0.2839 
1 1 1 5  18 26 o 11 6.73291e+01 2.87754e+01 2.95601e+01 343.089 1.19996e+00  -3.64816e-01 0.00000e+00 0.00000e+00 3.49047e+01 343.089 5.34463e+00 343.089 0.5292 
1 1 1 5  18 27 o 13 5.95532e+01 2.84875e+01 4.48431e+01 352.328 1.96586e+00  -2.64825e-01 0.00000e+00 0.00000e+00 3.10493e+01 352.328 1.37939e+01 172.328 0.6951 
1 1 1 5  18 28 o 4  5.21001e+01 2.41723e+01 2.23080e+01 315.927 8.61818e-01  -8.34374e-01 0.00000e+00 0.00000e+00 2.73448e+01 315.927 5.03683e+00 315.927 0.5126 
1 1 1 5  18 29 o 17 7.81207e+01 3.16793e+01 9.06247e+01 156.872 -4.75584e+00 2.03128e+00  0.00000e+00 0.00000e+00 4.15642e+01 156.872 4.90605e+01 336.872 0.8972 
1 1 1 5  18 30 o 9  4.99492e+01 2.42070e+01 3.73987e+01 199.951 -1.90119e+00 -6.90127e-01 0.00000e+00 0.00000e+00 2.96696e+01 199.951 7.72901e+00 19.951  0.7014 
1 1 1 5  18 31 f 0  6.39087e+01 2.91975e+01 3.14283e+01 24.384  1.66882e+00  7.56436e-01  0.00000e+00 0.00000e+00 5.15853e+01 24.384  2.01569e+01 24.384  0.6682 
1 1 1 5  18 32 o 3  5.42540e+01 2.61988e+01 1.22895e+01 28.642  6.65374e-01  3.63410e-01  0.00000e+00 0.00000e+00 2.56656e+01 28.642  1.33761e+01 28.642  0.3542 
1 1 1 5  18 33 o 3  4.52629e+01 2.26744e+01 8.97206e+00 318.509 4.60175e-01  -4.07003e-01 0.00000e+00 0.00000e+00 1.77023e+01 318.509 8.73028e+00 318.509 0.2935 
1 1 1 5  19 0  o 12 2.24439e+02 1.63917e+01 9.99791e+01 270.000 2.18681e-07  -2.50142e+00 0.00000e+00 0.00000e+00 2.44575e+02 270.000 1.44595e+02 270.000 0.9867 
1 1 1 5  19 1  o 17 3.10699e+02 1.16959e+01 8.09129e+01 255.462 -1.40423e+00 -5.41493e+00 0.00000e+00 0.00000e+00 3.56969e+02 255.462 2.76056e+02 255.462 0.9056 
1 1 1 5  19 2  o 14 4.35354e+01 1.85333e+01 7.99800e+01 279.886 1.27871e-01  -7.33703e-01 0.00000e+00 0.00000e+00 5.63328e+01 99.886  1.36313e+02 99.886  0.3487 
1 1 1 5  19 3  o 4  1.30601e+02 1.62739e+01 4.04367e+01 292.907 4.42260e-01  -1.04663e+00 0.00000e+00 0.00000e+00 5.98878e+01 292.907 1.94512e+01 292.907 0.4926 
1 1 1 5  19 4  o 8  1.42803e+02 1.56556e+01 5.03978e+01 299.983 7.68576e-01  -1.33210e+00 0.00000e+00 0.00000e+00 8.46557e+01 299.983 3.42579e+01 299.983 0.6054 
1 1 1 5  19 5  o 18 6.91965e+01 2.09422e+01 1.86675e+01 282.091 5.68218e-02  -2.65249e-01 0.00000e+00 0.00000e+00 4.10555e+00 102.091 2.27731e+01 102.091 0.1344 
1 1 1 5  19 6  o 14 3.33484e+02 1.48339e+01 1.73959e+02 124.934 -7.12631e+00 1.02024e+01  0.00000e+00 0.00000e+00 3.28158e+02 124.934 1.54199e+02 124.934 0.9589 
1 1 1 5  19 7  o 8  3.86865e+02 1.30269e+01 1.74170e+02 331.715 1.34627e+01  -7.24424e+00 0.00000e+00 0.00000e+00 4.14975e+02 331.715 2.40805e+02 331.715 0.9667 
1 1 1 5  19 8  o 15 2.04799e+02 4.31953e+01 2.03740e+02 333.059 7.26877e+00  -3.69419e+00 0.00000e+00 0.00000e+00 9.95395e+01 333.059 1.04201e+02 153.059 0.9365 
1 1 1 5  19 9  o 1  2.68170e+02 1.59077e+01 1.26965e+02 138.911 -6.20700e+00 5.41265e+00  0.00000e+00 0.00000e+00 2.72143e+02 138.911 1.45178e+02 138.911 0.9372 
1 1 1 5  19 10 o 16 4.44108e+02 2.09657e+01 2.44176e+02 201.618 -2.28555e+01 -9.05750e+00 0.00000e+00 0.00000e+00 4.49915e+02 201.618 2.05739e+02 201.618 0.9794 
1 1 1 5  19 11 o 13 8.73585e+01 2.56655e+01 9.97916e+01 193.732 -1.93322e+00 -4.72425e-01 0.00000e+00 0.00000e+00 2.23651e+00 13.732  1.02028e+02 13.732  0.6961 
1 1 1 5  19 12 o 4  2.22669e+02 2.57454e+01 2.02579e+02 27.979  6.88640e+00  3.65840e+00  0.00000e+00 0.00000e+00 1.32797e+02 27.979  6.97827e+01 207.979 0.9335 
1 1 1 5  19 13 o 1  2.12155e+02 2.75372e+01 1.29331e+02 108.845 -1.61673e+00 4.73687e+00  0.00000e+00 0.00000e+00 1.78457e+02 108.845 4.91257e+01 108.845 0.8935 
1 1 1 5  19 14 f 0  4.93822e+01 1.90451e+01 8.63074e+01 19.909  8.61376e-01  3.11973e-01  0.00000e+00 0.00000e+00 5.27334e+01 199.909 1.39041e+02 199.909 0.4159 
1 1 1 5  19 15 o 2  5.74831e+01 2.15697e+01 6.53786e+01 21.281  7.58916e-01  2.95601e-01  0.00000e+00 0.00000e+00 2.97087e+01 201.281 9.50873e+01 201.281 0.3768 
1 1 1 5  19 16 o 11 9.00821e+01 2.40988e+01 1.31493e+02 206.669 -2.65290e+00 -1.33248e+00 0.00000e+00 0.00000e+00 1.07416e+01 26.669  1.42234e+02 26.669  0.8076 
1 1 1 5  19 17 o 3  8.87797e+01 2.39192e+01 3.56107e+01 335.816 8.13536e-01  -3.65348e-01 0.00000e+00 0.00000e+00 2.48232e+01 335.816 1.07876e+01 155.816 0.4067 
1 1 1 5  19 18 o 8  1.23648e+02 2.27609e+01 1.17029e+02 287.712 1.55070e+00  -4.85550e+00 0.00000e+00 0.00000e+00 6.99415e+01 287.712 4.70874e+01 107.712 0.8956 
1 1 1 5  19 19 o 19 1.28748e+02 3.54006e+01 9.88920e+01 345.798 3.65485e+00  -9.24951e-01 0.00000e+00 0.00000e+00 8.85043e+01 345.798 1.03878e+01 165.798 0.8541 
1 1 1 5  19 20 o 8  1.16404e+02 2.55272e+01 1.18075e+02 107.809 -1.81682e+00 5.65559e+00  0.00000e+00 0.00000e+00 6.45201e+01 107.809 5.35545e+01 287.809 0.9114 
1 1 1 5  19 21 o 10 1.17672e+02 2.64321e+01 5.06518e+01 252.546 -7.81841e-01 -2.48660e+00 0.00000e+00 0.00000e+00 1.08163e+02 252.546 5.75114e+01 252.546 0.7761 
1 1 1 5  19 22 o 9  1.13579e+02 2.60716e+01 7.45326e+01 216.481 -3.43480e+00 -2.53982e+00 0.00000e+00 0.00000e+00 9.98176e+01 216.481 2.52850e+01 216.481 0.8732 
1 1 1 5  19 23 o 12 4.66514e+01 2.18784e+01 8.05669e+01 42.104  1.77554e+00  1.60453e+00  0.00000e+00 0.00000e+00 1.81207e+01 222.104 9.86876e+01 222.104 0.7529 
1 1 1 5  19 24 o 15 9.79098e+01 2.91876e+01 9.79500e+01 49.356  3.11528e+00  3.62908e+00  0.00000e+00 0.00000e+00 5.84946e+01 49.356  3.94554e+01 229.356 0.8881 
1 1 1 5  19 25 o 1  4.43263e+01 2.11673e+01 2.77579e+01 266.300 -6.42973e-02 -9.94152e-01 0.00000e+00 0.00000e+00 8.17702e+00 266.300 1.95809e+01 86.300  0.4451 
1 1 1 5  19 26 o 3  5.69058e+01 2.58167e+01 4.00062e+01 277.418 2.30582e-01  -1.77098e+00 0.00000e+00 0.00000e+00 2.92193e+01 277.418 1.07869e+01 97.418  0.6593 
1 1 1 5  19 27 o 17 6.10298e+01 2.92220e+01 1.39348e+01 177.119 -6.68719e-01 3.36519e-02  0.00000e+00 0.00000e+00 2.22793e+01 177.119 8.34456e+00 177.119 0.3173 
1 1 1 5  19 28 o 11 5.39099e+01 2.50127e+01 4.04797e+01 204.213 -1.97123e+00 -8.86433e-01 0.00000e+00 0.00000e+00 3.33798e+01 204.213 7.09986e+00 24.213  0.7226 
1 1 1 5  19 29 f 0  4.35318e+01 2.13978e+01 2.59586e+01 289.554 4.74088e-01  -1.33475e+00 0.00000e+00 0.00000e+00 2.21714e+01 289.554 3.78713e+00 109.554 0.5748 
1 1 1 5  19 30 o 9  6.49830e+01 2.95505e+01 5.06926e+01 31.501  2.52457e+00  1.54710e+00  0.00000e+00 0.00000e+00 5.16987e+01 31.501  1.00615e+00 31.501  0.8071 
1 1 1 5  19 31 f 0  4.79940e+01 2.35323e+01 3.83640e+01 112.470 -9.50854e-01 2.29893e+00  0.00000e+00 0.00000e+00 3.43021e+01 112.470 4.06196e+00 292.470 0.7637 
1 1 1 5  19 32 o 4  5.96802e+01 2.86544e+01 7.90618e+00 240.688 -2.35597e-01 -4.19619e-01 0.00000e+00 0.00000e+00 2.02142e+01 240.688 1.23080e+01 240.688 0.2339 
1 1 1 5  19 33 o 1  4.84452e+01 2.40168e+01 1.30760e+01 265.725 -6.71562e-02 -8.98447e-01 0.00000e+00 0.00000e+00 2.76154e+01 265.725 1.45394e+01 265.725 0.4102 
1 1 1 5  20 0  o 13 2.84099e+01 1.90446e+01 3.14389e+01 270.000 -6.28101e-18 -1.02577e-01 0.00000e+00 0.00000e+00 2.68255e+01 90.000  5.82644e+01 90.000  0.1022 
1 1 1 5  20 1  o 5  9.16928e+01 1.66397e+01 1.13712e+02 242.308 -1.09243e+00 -2.08145e+00 0.00000e+00 0.00000e+00 4.76462e+00 62.308  1.18477e+02 62.308  0.7477 
1 1 1 5  20 2  o 16 2.02659e+02 1.67339e+01 1.79040e+02 190.846 -7.99776e+00 -1.53225e+00 0.00000e+00 0.00000e+00 1.22747e+02 190.846 5.62926e+01 10.846  0.9364 
1 1 1 5  20 3  o 7  1.38326e+02 1.71169e+01 9.01515e+01 133.259 -1.90100e+00 2.02015e+00  0.00000e+00 0.00000e+00 8.42374e+01 133.259 5.91411e+00 313.259 0.7918 
1 1 1 5  20 4  o 8  7.62314e+01 2.19468e+01 5.53149e+01 356.234 1.05791e+00  -6.96356e-02 0.00000e+00 0.00000e+00 1.50782e+00 356.234 5.38071e+01 176.234 0.4673 
1 1 1 5  20 5  o 3  2.47804e+02 3.66605e+01 3.09020e+02 18.817  1.53870e+01  5.24315e+00  0.00000e+00 0.00000e+00 7.47550e+01 18.817  2.34265e+02 198.817 0.9687 
1 1 1 5  20 6  o 8  6.60206e+01 2.12218e+01 4.31642e+01 213.931 -5.55430e-01 -3.73670e-01 0.00000e+00 0.00000e+00 9.58515e+00 33.931  5.27494e+01 33.931  0.3173 
1 1 1 5  20 7  o 12 5.48365e+02 2.10160e+01 2.64312e+02 184.118 -3.34952e+01 -2.41169e+00 0.00000e+00 0.00000e+00 6.04441e+02 184.118 3.40129e+02 184.118 0.9850 
1 1 1 5  20 8  o 15 2.81725e+02 1.35815e+01 1.98712e+01 190.044 -1.30776e+00 -2.31621e-01 0.00000e+00 0.00000e+00 2.30602e+02 190.044 2.10731e+02 190.044 0.5507 
1 1 1 5  20 9  o 18 1.33586e+02 1.88950e+01 1.04453e+02 117.206 -1.54552e+00 3.00654e+00  0.00000e+00 0.00000e+00 7.63228e+01 117.206 2.81304e+01 297.206 0.8346 
1 1 1 5  20 10 o 11 7.84774e+01 2.42133e+01 5.73942e+01 220.383 -6.03663e-01 -5.13442e-01 0.00000e+00 0.00000e+00 1.03336e+01 40.383  6.77278e+01 40.383  0.3681 
1 1 1 5  20 11 o 13 2.37162e+02 2.08964e+01 1.58434e+02 266.253 -4.75734e-01 -7.26336e+00 0.00000e+00 0.00000e+00 2.02240e+02 266.253 4.38057e+01 266.253 0.9285 
1 1 1 5  20 12 o 17 2.76530e+02 2.13810e+01 1.48976e+02 37.994  7.51492e+00  5.86996e+00  0.00000e+00 0.00000e+00 2.81984e+02 37.994  1.33008e+02 37.994  0.9460 
1 1 1 5  20 13 o 17 1.71667e+02 2.78273e+01 1.19960e+02 313.508 2.96109e+00  -3.11943e+00 0.00000e+00 0.00000e+00 1.28823e+02 313.508 8.86325e+00 313.508 0.8742 
1 1 1 5  20 14 o 2  1.11659e+02 3.10393e+01 8.00223e+01 30.436  1.54642e+00  9.08594e-01  0.00000e+00 0.00000e+00 4.31324e+01 30.436  3.68899e+01 210.436 0.6608 
1 1 1 5  20 15 o 14 7.83004e+01 3.38792e+01 1.31473e+02 215.026 -1.88002e+00 -1.31768e+00 0.00000e+00 0.00000e+00 3.39395e+01 35.026  1.65413e+02 35.026  0.7408 
1 1 1 5  20 16 o 1  1.19799e+02 2.24893e+01 6.52190e+01 209.960 -2.13786e+00 -1.23229e+00 0.00000e+00 0.00000e+00 8.93566e+01 209.960 2.41376e+01 209.960 0.7614 
1 1 1 5  20 17 o 13 9.88253e+01 3.54674e+01 7.31127e+01 61.755  9.34183e-01  1.73900e+00  0.00000e+00 0.00000e+00 4.39903e+01 61.755  2.91224e+01 241.755 0.6935 
1 1 1 5  20 18 o 13 6.41891e+01 2.40153e+01 4.76106e+01 148.623 -9.32372e-01 5.68614e-01  0.00000e+00 0.00000e+00 5.28984e+00 148.623 4.23208e+01 328.623 0.4781 
1 1 1 5  20 19 o 8  1.47611e+02 2.08793e+01 7.44538e+01 118.566 -2.47530e+00 4.54635e+00  0.00000e+00 0.00000e+00 1.56024e+02 118.566 8.15704e+01 118.566 0.8973 
1 1 1 5  20 20 o 18 1.55488e+02 3.22079e+01 1.49018e+02 265.288 -7.38080e-01 -8.95362e+00 0.00000e+00 0.00000e+00 1.08525e+02 265.288 4.04933e+01 85.288  0.9426 
1 1 1 5  20 21 o 17 9.68458e+01 2.61228e+01 2.84722e+01 71.766  4.36053e-01  1.32363e+00  0.00000e+00 0.00000e+00 6.93179e+01 71.766  4.08457e+01 71.766  0.5687 
1 1 1 5  20 22 o 19 6.62040e+01 2.56269e+01 6.82283e+01 91.995  -9.12516e-02 2.61912e+00  0.00000e+00 0.00000e+00 2.41616e+01 91.995  4.40667e+01 271.995 0.7775 
1 1 1 5  20 23 o 10 4.78136e+01 2.20688e+01 2.85384e+01 214.514 -6.74150e-01 -4.63569e-01 0.00000e+00 0.00000e+00 4.29513e+00 214.514 2.42433e+01 34.514  0.3783 
1 1 1 5  20 24 f 0  1.49872e+02 2.47293e+01 1.10187e+02 313.715 7.92957e+00  -8.29339e+00 0.00000e+00 0.00000e+00 1.52842e+02 313.715 4.26557e+01 313.715 0.9554 
1 1 1 5  20 25 o 13 5.19835e+01 2.41507e+01 5.79960e+01 3.098   2.52092e+00  1.36453e-01  0.00000e+00 0.00000e+00 1.62208e+01 3.098   4.17752e+01 183.098 0.7676 
1 1 1 5  20 26 o 1  4.06172e+01 1.99193e+01 3.11671e+01 96.859  -1.62531e-01 1.35112e+00  0.00000e+00 0.00000e+00 1.16690e+01 96.859  1.94981e+01 276.859 0.5598 
1 1 1 5  20 27 o 9  6.54942e+01 2.82916e+01 4.76415e+01 160.210 -2.43344e+00 8.75627e-01  0.00000e+00 0.00000e+00 4.91505e+01 160.210 1.50901e+00 160.210 0.7741 
1 1 1 5  20 28 o 4  8.08518e+01 3.60036e+01 6.17102e+01 163.017 -2.92342e+00 8.92844e-01  0.00000e+00 0.00000e+00 6.57138e+01 163.017 4.00355e+00 163.017 0.8141 
1 1 1 5  20 29 o 19 4.47200e+01 2.19526e+01 4.15173e+01 255.815 -6.32742e-01 -2.50332e+00 0.00000e+00 0.00000e+00 2.64293e+01 255.815 1.50880e+01 75.815  0.7736 
1 1 1 5  20 30 o 2  5.25104e+01 2.50102e+01 1.49030e+01 45.271  6.43494e-01  6.49620e-01  0.00000e+00 0.00000e+00 2.85608e+01 45.271  1.36578e+01 45.271  0.4152 
1 1 1 5  20 31 o 14 5.22217e+01 2.53669e+01 1.49336e+01 75.473  2.44611e-01  9.43986e-01  0.00000e+00 0.00000e+00 3.13175e+01 75.473  1.63839e+01 75.473  0.4375 
1 1 1 5  20 32 o 5  4.79610e+01 2.37644e+01 2.94984e+01 277.475 2.58618e-01  -1.97106e+00 0.00000e+00 0.00000e+00 3.91352e+01 277.475 9.63674e+00 277.475 0.6958 
1 1 1 5  21 0  o 13 1.58107e+02 1.91623e+01 9.58980e+01 90.000  -1.63161e-07 1.86635e+00  0.00000e+00 0.00000e+00 1.48828e+02 90.000  5.29304e+01 90.000  0.9533 
1 1 1 5  21 1  o 5  3.04707e+02 1.35929e+01 1.54842e+02 227.959 -7.76709e+00 -8.61388e+00 0.00000e+00 0.00000e+00 3.18209e+02 227.959 1.63367e+02 227.959 0.9559 
1 1 1 5  21 2  o 9  2.17021e+02 1.40186e+01 1.15358e+02 343.032 5.85138e+00  -1.78535e+00 0.00000e+00 0.00000e+00 2.07102e+02 343.032 9.17432e+01 343.032 0.9142 
1 1 1 5  21 3  o 3  9.18380e+01 2.28914e+01 1.49418e+02 4.846   3.09751e+00  2.62623e-01  0.00000e+00 0.00000e+00 2.72034e+01 184.846 1.76622e+02 184.846 0.8177 
1 1 1 5  21 4  o 18 1.15892e+02 1.97890e+01 9.86944e+01 307.145 1.59084e+00  -2.10003e+00 0.00000e+00 0.00000e+00 4.84663e+01 307.145 5.02280e+01 127.145 0.7789 
1 1 1 5  21 5  o 1  1.75905e+02 1.60140e+01 6.35874e+01 305.704 1.64411e+00  -2.28770e+00 0.00000e+00 0.00000e+00 1.65067e+02 305.704 1.01479e+02 305.704 0.7955 
1 1 1 5  21 6  f 0  4.02462e+02 1.61797e+01 1.53039e+02 5.627   1.52302e+01  1.50051e+00  0.00000e+00 0.00000e+00 4.84495e+02 5.627   3.31455e+02 5.627   0.9668 
1 1 1 5  21 7  o 16 4.16591e+02 1.37875e+01 1.90769e+02 177.736 -1.50153e+01 5.93616e-01  0.00000e+00 0.00000e+00 4.70885e+02 177.736 2.80116e+02 177.736 0.9661 
1 1 1 5  21 8  o 18 2.18924e+02 1.29041e+01 1.12178e+02 253.271 -1.45946e+00 -4.85567e+00 0.00000e+00 0.00000e+00 2.11146e+02 253.271 9.89679e+01 253.271 0.8950 
1 1 1 5  21 9  o 12 9.10141e+01 1.64681e+01 8.03150e+01 283.452 3.38821e-01  -1.41648e+00 0.00000e+00 0.00000e+00 7.94973e+00 283.452 7.23653e+01 103.452 0.5852 
1 1 1 5  21 10 o 4  2.56424e+02 1.68517e+01 1.05015e+02 91.595  -1.80436e-01 6.47977e+00  0.00000e+00 0.00000e+00 2.87508e+02 91.595  1.82493e+02 91.595  0.9193 
1 1 1 5  21 11 o 10 1.61032e+02 2.07466e+01 1.17838e+02 85.684  3.03414e-01  4.02000e+00  0.00000e+00 0.00000e+00 1.15271e+02 85.684  2.56762e+00 265.684 0.8647 
1 1 1 5  21 12 o 1  3.13932e+02 2.16141e+01 1.23408e+02 202.226 -7.95006e+00 -3.24863e+00 0.00000e+00 0.00000e+00 3.73388e+02 202.226 2.49981e+02 202.226 0.9398 
1 1 1 5  21 13 o 14 1.21762e+02 3.26128e+01 1.37160e+02 9.747   3.77699e+00  6.48775e-01  0.00000e+00 0.00000e+00 3.96044e+01 9.747   9.75552e+01 189.747 0.8567 
1 1 1 5  21 14 o 11 1.02950e+02 2.00818e+01 7.69174e+01 165.159 -2.28546e+00 6.05613e-01  0.00000e+00 0.00000e+00 5.47027e+01 165.159 2.22146e+01 345.159 0.7494 
1 1 1 5  21 15 o 17 7.94141e+01 3.56465e+01 1.01541e+02 281.770 4.78994e-01  -2.29874e+00 0.00000e+00 0.00000e+00 4.63524e-01 281.770 1.01078e+02 101.770 0.7474 
1 1 1 5  21 16 o 10 1.45043e+02 5.49053e+01 1.18527e+02 279.521 5.46937e-01  -3.26087e+00 0.00000e+00 0.00000e+00 9.00646e+01 279.521 2.84621e+01 99.521  0.8303 
1 1 1 5  21 17 o 18 1.69839e+02 1.99406e+01 9.49215e+01 33.396  5.28879e+00  3.48678e+00  0.00000e+00 0.00000e+00 1.77161e+02 33.396  8.22396e+01 33.396  0.9173 
1 1 1 5  21 18 o 1  1.05659e+02 3.89927e+01 1.86308e+02 80.191  1.14372e+00  6.61547e+00  0.00000e+00 0.00000e+00 1.46254e+01 260.191 2.00934e+02 260.191 0.9222 
1 1 1 5  21 19 o 10 1.28163e+02 2.17925e+01 1.16224e+02 195.959 -6.72436e+00 -1.92295e+00 0.00000e+00 0.00000e+00 9.47258e+01 195.959 2.14978e+01 15.959  0.9255 
1 1 1 5  21 20 o 17 7.17165e+01 2.95458e+01 1.30912e+02 313.687 3.06751e+00  -3.21145e+00 0.00000e+00 0.00000e+00 1.77444e+01 133.687 1.48657e+02 133.687 0.8786 
1 1 1 5  21 21 o 9  8.02459e+01 2.63537e+01 3.03586e+01 111.965 -5.18955e-01 1.28671e+00  0.00000e+00 0.00000e+00 5.22179e+01 111.965 2.18593e+01 111.965 0.5670 
1 1 1 5  21 22 o 9  9.71248e+01 2.84144e+01 6.78549e+01 20.678  3.15284e+00  1.18997e+00  0.00000e+00 0.00000e+00 8.07480e+01 20.678  1.28931e+01 20.678  0.8340 
1 1 1 5  21 23 o 14 5.01002e+01 2.28774e+01 1.61045e+01 220.705 -4.51568e-01 -3.88483e-01 0.00000e+00 0.00000e+00 1.04228e+01 220.705 5.68173e+00 40.705  0.2854 
1 1 1 5  21 24 o 11 5.93439e+01 2.54862e+01 6.98268e+01 200.472 -3.09427e+00 -1.15518e+00 0.00000e+00 0.00000e+00 2.26664e+01 200.472 4.71604e+01 20.472  0.8301 
1 1 1 5  21 25 o 5  7.76203e+01 3.03766e+01 5.73131e+01 299.964 1.55694e+00  -2.70057e+00 0.00000e+00 0.00000e+00 6.34269e+01 299.964 6.11376e+00 299.964 0.8183 
1 1 1 5  21 26 o 11 5.52210e+01 2.50428e+01 5.46630e+01 87.751  1.13819e-01  2.89795e+00  0.00000e+00 0.00000e+00 3.06486e+01 87.751  2.40144e+01 267.751 0.8023 
1 1 1 5  21 27 o 7  4.94559e+01 2.34262e+01 1.07096e+01 188.308 -5.77066e-01 -8.42709e-02 0.00000e+00 0.00000e+00 1.63000e+01 188.308 5.59039e+00 188.308 0.2799 
1 1 1 5  21 28 o 12 6.43797e+01 3.07570e+01 2.80896e+01 290.251 5.07467e-01  -1.37549e+00 0.00000e+00 0.00000e+00 4.67694e+01 290.251 1.86798e+01 290.251 0.5876 
1 1 1 5  21 29 o 4  6.80114e+01 2.99877e+01 7.92925e+01 70.181  1.57096e+00  4.35885e+00  0.00000e+00 0.00000e+00 4.14103e+01 70.181  3.78822e+01 250.180 0.8841 
1 1 1 5  21 30 o 14 4.90721e+01 2.38933e+01 2.61688e+01 143.166 -1.32077e+00 9.89303e-01  0.00000e+00 0.00000e+00 3.69326e+01 143.166 1.07638e+01 143.166 0.6311 
1 1 1 5  21 31 o 2  4.75250e+01 2.34190e+01 3.26498e+01 221.113 -1.65003e+00 -1.44009e+00 0.00000e+00 0.00000e+00 3.88015e+01 221.113 6.15174e+00 221.113 0.7266 
1 1 1 5  22 0  o 19 4.28287e+02 1.94762e+01 2.34520e+02 270.000 -5.86882e-16 -9.58452e+00 0.00000e+00 0.00000e+00 4.77037e+02 270.000 2.42516e+02 270.000 1.0000 
1 1 1 5  22 1  o 10 1.08251e+02 1.71531e+01 9.54372e+01 161.575 -1.83807e+00 6.12327e-01  0.00000e+00 0.00000e+00 2.81888e+01 161.575 6.72485e+01 341.575 0.6872 
1 1 1 5  22 2  o 18 2.14009e+02 1.27351e+01 4.19537e+01 86.656  9.99476e-02  1.71045e+00  0.00000e+00 0.00000e+00 1.87478e+02 86.656  1.45524e+02 86.656  0.6446 
1 1 1 5  22 3  o 1  4.09244e+02 2.03987e+01 2.74602e+02 344.204 1.97304e+01  -5.58171e+00 0.00000e+00 0.00000e+00 3.90031e+02 344.204 1.15429e+02 344.204 0.9753 
1 1 1 5  22 4  o 5  1.02407e+02 2.23255e+01 8.42802e+01 166.435 -1.65126e+00 3.98412e-01  0.00000e+00 0.00000e+00 2.53128e+01 166.435 5.89673e+01 346.435 0.6415 
1 1 1 5  22 5  o 17 4.67791e+02 1.91859e+01 2.94662e+02 193.571 -2.66958e+01 -6.44387e+00 0.00000e+00 0.00000e+00 4.73069e+02 193.571 1.78406e+02 193.571 0.9816 
1 1 1 5  22 6  o 2  2.59578e+02 5.05740e+01 1.58726e+02 186.717 -6.86221e+00 -8.08186e-01 0.00000e+00 0.00000e+00 2.43617e+02 186.717 8.48909e+01 186.717 0.9245 
1 1 1 5  22 7  o 9  1.09700e+02 4.73328e+01 7.03761e+01 319.713 1.02323e+00  -8.67362e-01 0.00000e+00 0.00000e+00 3.19245e+01 319.713 3.84516e+01 139.713 0.5544 
1 1 1 5  22 8  o 6  6.24637e+02 1.82453e+01 2.28108e+02 70.612  1.03944e+01  2.95356e+01  0.00000e+00 0.00000e+00 8.09571e+02 70.612  5.81462e+02 70.612  0.9839 
1 1 1 5  22 9  o 9  1.56944e+02 2.11406e+01 1.23208e+02 291.301 1.56918e+00  -4.02447e+00 0.00000e+00 0.00000e+00 1.09595e+02 291.301 1.36134e+01 111.301 0.8748 
1 1 1 5  22 10 o 19 1.57558e+02 1.49124e+01 9.57752e+01 298.280 1.66815e+00  -3.10070e+00 0.00000e+00 0.00000e+00 1.30313e+02 298.280 3.45382e+01 298.280 0.8422 
1 1 1 5  22 11 o 5  2.35931e+02 5.82591e+01 1.99766e+02 117.972 -3.49086e+00 6.57320e+00  0.00000e+00 0.00000e+00 1.76134e+02 117.972 2.36326e+01 297.972 0.9302 
1 1 1 5  22 12 o 12 1.30102e+02 3.04861e+01 1.01121e+02 21.163  3.25583e+00  1.26043e+00  0.00000e+00 0.00000e+00 8.73071e+01 21.163  1.38138e+01 201.163 0.8406 
1 1 1 5  22 13 o 15 8.18069e+01 3.07842e+01 4.97242e+01 234.849 -6.64189e-01 -9.43243e-01 0.00000e+00 0.00000e+00 2.09338e+01 234.849 2.87904e+01 54.849  0.4982 
1 1 1 5  22 14 f 0  6.59080e+01 2.99712e+01 1.64980e+02 253.231 -9.43537e-01 -3.13123e+00 0.00000e+00 0.00000e+00 6.97038e+01 73.231  2.34683e+02 73.231  0.8281 
1 1 1 5  22 15 o 9  6.37094e+01 2.93170e+01 1.23505e+02 115.457 -1.12486e+00 2.36284e+00  0.00000e+00 0.00000e+00 3.64452e+01 295.457 1.59950e+02 295.457 0.7771 
1 1 1 5  22 16 o 10 1.19666e+02 2.04492e+01 5.35139e+01 129.961 -1.98771e+00 2.37210e+00  0.00000e+00 0.00000e+00 1.19696e+02 129.961 6.61825e+01 129.961 0.8168 
1 1 1 5  22 17 o 14 1.02431e+02 3.88019e+01 1.19821e+02 308.794 2.59450e+00  -3.22760e+00 0.00000e+00 0.00000e+00 3.91970e+01 308.794 8.06237e+01 128.794 0.8687 
1 1 1 5  22 18 o 18 7.20210e+01 2.42263e+01 2.49574e+01 192.854 -7.84935e-01 -1.79114e-01 0.00000e+00 0.00000e+00 2.34882e+01 192.854 1.46923e+00 12.854  0.3731 
1 1 1 5  22 19 o 9  8.41193e+01 2.62744e+01 6.57311e+01 228.271 -1.88456e+00 -2.11305e+00 0.00000e+00 0.00000e+00 5.62246e+01 228.271 9.50651e+00 48.271  0.7967 
1 1 1 5  22 20 o 19 8.66707e+01 2.63460e+01 8.62616e+01 107.504 -1.27962e+00 4.05758e+00  0.00000e+00 0.00000e+00 5.27310e+01 107.504 3.35306e+01 287.504 0.8726 
1 1 1 5  22 21 o 9  6.98769e+01 2.62735e+01 3.91356e+01 321.918 1.16508e+00  -9.12961e-01 0.00000e+00 0.00000e+00 3.75716e+01 321.918 1.56406e+00 141.918 0.5912 
1 1 1 5  22 22 o 15 6.25637e+01 2.61055e+01 7.20387e+01 300.687 1.59449e+00  -2.68682e+00 0.00000e+00 0.00000e+00 2.41153e+01 300.687 4.79233e+01 120.687 0.8188 
1 1 1 5  22 23 o 2  6.79243e+01 2.71918e+01 4.37878e+00 98.853  -3.41419e-02 2.19193e-01  0.00000e+00 0.00000e+00 9.83732e+00 98.853  5.45855e+00 98.853  0.1102 
1 1 1 5  22 24 o 8  5.40069e+01 2.47347e+01 8.88204e+00 44.246  3.03508e-01  2.95624e-01  0.00000e+00 0.00000e+00 1.26188e+01 44.246  3.73675e+00 44.246  0.2072 
1 1 1 5  22 25 o 4  5.46549e+01 2.46678e+01 5.26523e+01 116.877 -1.27047e+00 2.50668e+00  0.00000e+00 0.00000e+00 3.18512e+01 116.877 2.08012e+01 296.877 0.7949 
1 1 1 5  22 26 o 8  4.82366e+01 2.29028e+01 5.22809e+01 180.506 -2.80035e+00 -2.47239e-02 0.00000e+00 0.00000e+00 2.31848e+01 180.506 2.90961e+01 0.506   0.7941 
1 1 1 5  22 27 o 16 5.04517e+01 2.37470e+01 1.42235e+01 291.994 3.13631e-01  -7.76489e-01 0.00000e+00 0.00000e+00 2.46450e+01 291.994 1.04215e+01 291.994 0.3858 
1 1 1 5  22 28 o 3  6.90881e+01 3.26647e+01 4.39694e+01 334.097 2.04206e+00  -9.91706e-01 0.00000e+00 0.00000e+00 5.91891e+01 334.097 1.52197e+01 334.097 0.7375 
1 1 1 5  22 29 o 3  4.88454e+01 2.36462e+01 1.75466e+01 99.482  -1.83784e-01 1.10037e+00  0.00000e+00 0.00000e+00 3.11963e+01 99.482  1.36497e+01 99.482  0.4859 
1 1 1 5  22 30 o 7  5.06562e+01 2.45419e+01 2.01423e+01 74.356  3.58703e-01  1.28092e+00  0.00000e+00 0.00000e+00 3.80732e+01 74.356  1.79309e+01 74.356  0.5513 
1 1 1 5  22 31 o 11 5.57961e+01 2.67761e+01 1.37077e+01 249.968 -3.01925e-01 -8.28103e-01 0.00000e+00 0.00000e+00 3.38717e+01 249.968 2.01641e+01 249.968 0.4028 
1 1 1 5  23 1  o 16 1.79885e+02 3.59352e+01 1.27170e+02 104.347 -1.07470e+00 4.20180e+00  0.00000e+00 0.00000e+00 1.40855e+02 104.347 1.36853e+01 104.347 0.8753 
1 1 1 5  23 2  f 0  1.37628e+02 1.51471e+01 1.17731e+02 288.296 1.16031e+00  -3.50930e+00 0.00000e+00 0.00000e+00 8.17166e+01 288.296 3.60147e+01 108.296 0.8507 
1 1 1 5  23 3  o 19 3.97062e+01 1.85898e+01 7.83106e+01 143.034 -5.51542e-01 4.15106e-01  0.00000e+00 0.00000e+00 5.62259e+01 323.034 1.34536e+02 323.034 0.3261 
1 1 1 5  23 4  o 6  2.82271e+02 1.74852e+01 9.07483e+01 113.729 -2.29032e+00 5.21030e+00  0.00000e+00 0.00000e+00 3.46829e+02 113.729 2.56081e+02 113.729 0.9073 
1 1 1 5  23 5  o 5  1.48566e+02 1.91748e+01 6.84250e+01 39.586  1.80037e+00  1.48867e+00  0.00000e+00 0.00000e+00 1.21355e+02 39.586  5.29305e+01 39.586  0.7459 
1 1 1 5  23 6  o 3  2.21950e+02 5.58364e+01 1.98507e+02 254.050 -1.79180e+00 -6.26935e+00 0.00000e+00 0.00000e+00 1.52055e+02 254.050 4.64513e+01 74.050  0.9198 
1 1 1 5  23 7  o 7  1.01197e+02 2.26817e+01 8.89777e+01 27.403  1.77711e+00  9.21271e-01  0.00000e+00 0.00000e+00 3.27301e+01 27.403  5.62476e+01 207.403 0.6981 
1 1 1 5  23 8  o 3  2.76969e+02 1.46712e+01 6.93995e+01 190.472 -5.31121e+00 -9.81688e-01 0.00000e+00 0.00000e+00 3.62622e+02 190.472 2.93222e+02 190.472 0.9019 
1 1 1 5  23 9  o 5  6.55897e+01 1.88422e+01 9.18173e+00 326.196 1.55644e-01  -1.04210e-01 0.00000e+00 0.00000e+00 1.44094e+00 326.196 7.74079e+00 146.196 0.0932 
1 1 1 5  23 10 o 14 1.21106e+02 1.72122e+01 1.00102e+02 91.711  -1.25008e-01 4.18524e+00  0.00000e+00 0.00000e+00 8.38513e+01 91.711  1.62504e+01 271.711 0.8703 
1 1 1 5  23 11 o 12 2.12569e+02 1.92333e+01 1.31111e+02 291.257 3.86787e+00  -9.94268e+00 0.00000e+00 0.00000e+00 2.23901e+02 291.257 9.27898e+01 291.257 0.9519 
1 1 1 5  23 12 o 13 1.13767e+02 3.18110e+01 1.08740e+02 346.631 3.53385e+00  -8.39857e-01 0.00000e+00 0.00000e+00 6.14509e+01 346.631 4.72895e+01 166.631 0.8477 
1 1 1 5  23 13 o 7  1.09751e+02 3.43504e+01 4.77759e+01 233.364 -9.57644e-01 -1.28776e+00 0.00000e+00 0.00000e+00 7.32557e+01 233.364 2.54798e+01 233.364 0.6210 
1 1 1 5  23 14 o 5  1.10683e+02 3.51150e+01 1.18319e+02 23.359  3.68023e+00  1.58942e+00  0.00000e+00 0.00000e+00 5.26363e+01 23.359  6.56830e+01 203.359 0.8639 
1 1 1 5  23 15 o 19 5.71291e+01 2.14408e+01 4.37735e+01 165.940 -1.22794e+00 3.07519e-01  0.00000e+00 0.00000e+00 1.10392e+01 165.940 3.27343e+01 345.940 0.5327 
1 1 1 5  23 16 o 7  7.62759e+01 3.16357e+01 1.06787e+02 138.462 -2.36698e+00 2.09690e+00  0.00000e+00 0.00000e+00 6.92867e+00 138.462 9.98579e+01 318.462 0.8213 
1 1 1 5  23 17 f 0  1.10070e+02 3.74035e+01 8.70516e+01 79.654  6.59805e-01  3.61414e+00  0.00000e+00 0.00000e+00 8.41389e+01 79.654  2.91269e+00 259.654 0.8497 
1 1 1 5  23 18 o 17 1.29397e+02 3.72350e+01 1.11979e+02 257.658 -1.27458e+00 -5.82509e+00 0.00000e+00 0.00000e+00 1.05888e+02 257.658 6.09130e+00 77.658  0.9118 
1 1 1 5  23 19 o 12 9.47181e+01 2.44409e+01 7.63854e+01 336.086 3.65141e+00  -1.61918e+00 0.00000e+00 0.00000e+00 7.60295e+01 336.086 3.55978e-01 156.086 0.8633 
1 1 1 5  23 20 o 10 1.29575e+02 2.17987e+01 3.88957e+01 113.805 -1.47472e+00 3.34287e+00  0.00000e+00 0.00000e+00 1.68120e+02 113.805 1.29224e+02 113.805 0.8487 
1 1 1 5  23 21 o 14 5.22277e+01 2.30865e+01 2.80834e+01 200.416 -1.05370e+00 -3.92208e-01 0.00000e+00 0.00000e+00 2.04617e+01 200.416 7.62169e+00 20.416  0.4887 
1 1 1 5  23 22 o 2  9.17873e+01 2.81960e+01 3.78992e+01 268.794 -5.23711e-02 -2.48740e+00 0.00000e+00 0.00000e+00 9.68715e+01 268.794 5.89722e+01 268.794 0.7637 
1 1 1 5  23 23 o 4  6.74365e+01 2.69492e+01 4.36304e+01 191.407 -2.49112e+00 -5.02604e-01 0.00000e+00 0.00000e+00 5.72686e+01 191.407 1.36382e+01 191.407 0.7694 
1 1 1 5  23 24 o 7  5.63515e+01 2.57508e+01 6.55052e+01 30.261  2.95094e+00  1.72172e+00  0.00000e+00 0.00000e+00 2.72654e+01 30.261  3.82398e+01 210.261 0.8366 
1 1 1 5  23 25 o 15 7.19427e+01 2.88779e+01 5.88674e+01 71.650  1.10148e+00  3.32087e+00  0.00000e+00 0.00000e+00 6.16770e+01 71.650  2.80962e+00 71.650  0.8410 
1 1 1 5  23 26 o 4  5.49681e+01 2.51324e+01 3.91954e+01 255.663 -5.74947e-01 -2.24950e+00 0.00000e+00 0.00000e+00 4.33506e+01 255.663 4.15518e+00 255.663 0.7441 
1 1 1 5  23 27 o 1  4.25701e+01 2.09207e+01 2.82723e+01 261.513 -2.52828e-01 -1.69438e+00 0.00000e+00 0.00000e+00 2.78474e+01 261.513 4.24922e-01 81.513  0.6446 
1 1 1 5  23 28 o 1  4.74798e+01 2.30216e+01 6.22977e+01 76.107  9.58188e-01  3.87402e+00  0.00000e+00 0.00000e+00 2.26908e+01 76.107  3.96069e+01 256.107 0.8632 
1 1 1 5  23 29 o 13 4.89309e+01 2.47585e+01 3.68182e+00 166.422 -2.23863e-01 5.40655e-02  0.00000e+00 0.00000e+00 8.09376e+00 166.422 4.41194e+00 166.422 0.1144 
1 1 1 5  23 30 o 19 4.60674e+01 2.28291e+01 3.65982e+01 235.555 -1.43656e+00 -2.09448e+00 0.00000e+00 0.00000e+00 3.90723e+01 235.555 2.47409e+00 235.555 0.7693 
1 1 1 5  24 1  f 0  1.75888e+02 3.13676e+01 2.09388e+02 20.840  7.03748e+00  2.67895e+00  0.00000e+00 0.00000e+00 7.64235e+01 20.840  1.32964e+02 200.840 0.9310 
1 1 1 5  24 2  o 8  2.13230e+02 2.73796e+01 1.43683e+02 314.709 4.58770e+00  -4.63459e+00 0.00000e+00 0.00000e+00 1.98880e+02 314.709 5.51966e+01 314.709 0.9198 
1 1 1 5  24 3  o 4  4.91652e+02 2.05151e+01 2.30604e+02 179.893 -3.06438e+01 5.73152e-02  0.00000e+00 0.00000e+00 6.15095e+02 179.893 3.84491e+02 179.893 0.9835 
1 1 1 5  24 4  o 13 8.76514e+01 2.68529e+01 6.98777e+01 30.144  1.32923e+00  7.71879e-01  0.00000e+00 0.00000e+00 2.30542e+01 30.144  4.68235e+01 210.144 0.6052 
1 1 1 5  24 5  o 15 7.54078e+01 2.58043e+01 1.70698e+01 271.432 9.31481e-03  -3.72580e-01 0.00000e+00 0.00000e+00 7.18638e+00 271.432 9.88347e+00 91.432  0.1832 
1 1 1 5  24 6  o 10 1.04022e+02 2.53564e+01 6.32283e+01 349.168 1.86535e+00  -3.56924e-01 0.00000e+00 0.00000e+00 6.14169e+01 349.168 1.81141e+00 169.168 0.6805 
1 1 1 5  24 7  o 7  6.34275e+01 2.44296e+01 4.53011e+01 206.444 -8.19052e-01 -4.07374e-01 0.00000e+00 0.00000e+00 1.24271e+00 206.444 4.40584e+01 26.444  0.4154 
1 1 1 5  24 8  o 1  6.36529e+01 1.93025e+01 3.47049e+01 300.223 4.29845e-01  -7.37852e-01 0.00000e+00 0.00000e+00 9.57103e+00 300.223 2.51338e+01 120.224 0.3922 
1 1 1 5  24 9  o 13 1.30586e+02 1.54284e+01 1.10568e+02 101.809 -1.18188e+00 5.65294e+00  0.00000e+00 0.00000e+00 1.00769e+02 101.809 9.79861e+00 281.809 0.9087 
1 1 1 5  24 10 o 3  1.36615e+02 4.33596e+01 1.32904e+02 181.699 -4.33497e+00 -1.28561e-01 0.00000e+00 0.00000e+00 8.10893e+01 181.699 5.18142e+01 1.699   0.8753 
1 1 1 5  24 11 o 17 1.72313e+02 2.49180e+01 1.49719e+02 289.478 3.11320e+00  -8.80219e+00 0.00000e+00 0.00000e+00 1.43166e+02 289.478 6.55332e+00 109.478 0.9448 
1 1 1 5  24 12 o 5  1.42676e+02 2.75806e+01 1.23235e+02 240.879 -3.65326e+00 -6.55797e+00 0.00000e+00 0.00000e+00 1.17064e+02 240.879 6.17117e+00 60.879  0.9308 
1 1 1 5  24 13 o 11 7.06821e+01 3.01110e+01 1.72311e+01 72.088  1.58226e-01  4.89536e-01  0.00000e+00 0.00000e+00 1.48273e+01 72.088  2.40377e+00 252.088 0.2491 
1 1 1 5  24 14 o 12 7.82547e+01 3.26228e+01 1.05382e+02 95.929  -3.31149e-01 3.18892e+00  0.00000e+00 0.00000e+00 1.28551e+01 95.929  9.25264e+01 275.929 0.8241 
1 1 1 5  24 15 o 6  1.14965e+02 2.20719e+01 5.26308e+01 325.917 2.85641e+00  -1.93270e+00 0.00000e+00 0.00000e+00 1.25373e+02 325.917 7.27420e+01 325.917 0.8384 
1 1 1 5  24 16 o 3  1.07379e+02 2.26583e+01 6.78062e+01 298.803 1.97739e+00  -3.59636e+00 0.00000e+00 0.00000e+00 1.05557e+02 298.803 3.77510e+01 298.803 0.8674 
1 1 1 5  24 17 o 18 7.95500e+01 3.17498e+01 9.50997e+01 146.483 -3.09543e+00 2.05016e+00  0.00000e+00 0.00000e+00 3.20306e+01 146.483 6.30691e+01 326.483 0.8515 
1 1 1 5  24 18 o 7  5.59746e+01 2.26377e+01 2.95797e+01 206.085 -8.96766e-01 -4.39038e-01 0.00000e+00 0.00000e+00 1.76743e+01 206.085 1.19054e+01 26.085  0.4458 
1 1 1 5  24 19 o 15 8.58253e+01 2.47646e+01 5.27159e+01 320.484 2.45500e+00  -2.02489e+00 0.00000e+00 0.00000e+00 8.22186e+01 320.484 2.95027e+01 320.484 0.8226 
1 1 1 5  24 20 f 0  4.07442e+01 1.91458e+01 4.85658e+01 52.445  1.11947e+00  1.45605e+00  0.00000e+00 0.00000e+00 4.04832e+00 52.445  4.45175e+01 232.445 0.6690 
1 1 1 5  24 21 o 11 7.34735e+01 2.69584e+01 3.70864e+01 194.662 -2.06616e+00 -5.40599e-01 0.00000e+00 0.00000e+00 6.59149e+01 194.662 2.88285e+01 194.662 0.7188 
1 1 1 5  24 22 o 8  3.79297e+01 1.85111e+01 3.18394e+01 213.162 -1.28617e+00 -8.40434e-01 0.00000e+00 0.00000e+00 1.34007e+01 213.162 1.84387e+01 33.162  0.6050 
1 1 1 5  24 23 o 7  5.18952e+01 2.35553e+01 9.17334e+00 325.308 4.00416e-01  -2.77175e-01 0.00000e+00 0.00000e+00 1.53040e+01 325.308 6.13064e+00 325.308 0.2366 
1 1 1 5  24 24 o 8  7.60264e+01 3.06318e+01 4.42347e+01 29.132  2.24640e+00  1.25199e+00  0.00000e+00 0.00000e+00 7.42786e+01 29.132  3.00439e+01 29.132  0.7726 
1 1 1 5  24 25 o 5  5.34804e+01 2.44706e+01 2.39803e+01 200.518 -1.33570e+00 -4.99884e-01 0.00000e+00 0.00000e+00 3.90947e+01 200.518 1.51144e+01 200.518 0.5773 
1 1 1 5  24 26 o 18 5.53509e+01 2.52131e+01 1.47842e+01 6.804   8.93029e-01  1.06545e-01  0.00000e+00 0.00000e+00 3.21288e+01 6.804   1.73445e+01 6.804   0.4096 
1 1 1 5  24 27 o 11 4.70779e+01 2.26340e+01 1.65504e+01 329.842 9.27200e-01  -5.38736e-01 0.00000e+00 0.00000e+00 2.99931e+01 329.842 1.34427e+01 329.842 0.4714 
1 1 1 5  24 28 o 19 5.21320e+01 2.48861e+01 2.58285e+01 165.316 -1.61912e+00 4.24270e-01  0.00000e+00 0.00000e+00 4.47013e+01 165.316 1.88728e+01 165.316 0.6363 
1 1 1 5  24 29 o 16 5.80238e+01 2.88227e+01 1.50305e+01 126.735 -5.20144e-01 6.96945e-01  0.00000e+00 0.00000e+00 3.48237e+01 126.735 1.97932e+01 126.735 0.3983 
1 1 1 5  25 1  o 9  1.44178e+02 4.06036e+01 1.99120e+02 266.201 -4.66399e-01 -7.02383e+00 0.00000e+00 0.00000e+00 4.00612e+01 266.201 1.59059e+02 86.201  0.9260 
1 1 1 5  25 2  o 16 2.32093e+02 3.07588e+01 1.45155e+02 65.250  4.08100e+00  8.85219e+00  0.00000e+00 0.00000e+00 2.49009e+02 65.250  1.03854e+02 65.250  0.9472 
1 1 1 5  25 3  o 9  1.48641e+02 2.46825e+01 6.37054e+01 343.983 3.27464e+00  -9.40036e-01 0.00000e+00 0.00000e+00 1.59395e+02 343.983 9.56894e+01 343.983 0.8361 
1 1 1 5  25 4  o 7  9.27146e+01 2.95327e+01 5.80159e+01 255.251 -4.51999e-01 -1.71688e+00 0.00000e+00 0.00000e+00 5.15644e+01 255.251 6.45151e+00 75.251  0.6572 
1 1 1 5  25 5  o 14 1.40596e+02 5.50067e+01 1.84601e+02 281.064 9.98388e-01  -5.10582e+00 0.00000e+00 0.00000e+00 4.29352e+01 281.064 1.41666e+02 101.064 0.8979 
1 1 1 5  25 6  o 11 1.14233e+02 2.61427e+01 4.53841e+01 166.967 -1.64104e+00 3.79860e-01  0.00000e+00 0.00000e+00 8.64540e+01 166.967 4.10699e+01 166.967 0.6385 
1 1 1 5  25 7  o 6  2.61925e+02 1.79782e+01 1.78031e+02 163.628 -1.82908e+01 5.37347e+00  0.00000e+00 0.00000e+00 2.84310e+02 163.628 1.06279e+02 163.628 0.9734 
1 1 1 5  25 8  o 3  6.06680e+01 2.00009e+01 3.07012e+01 10.614  7.20241e-01  1.34977e-01  0.00000e+00 0.00000e+00 7.26646e+00 10.614  2.34347e+01 190.614 0.3438 
1 1 1 5  25 9  o 18 1.57843e+02 5.31349e+01 1.75267e+02 7.636   5.84825e+00  7.84034e-01  0.00000e+00 0.00000e+00 8.75389e+01 7.636   8.77279e+01 187.636 0.9108 
1 1 1 5  25 10 f 0  1.14325e+02 1.71359e+01 1.20100e+02 267.300 -3.37103e-01 -7.14798e+00 0.00000e+00 0.00000e+00 7.46168e+01 267.300 4.54833e+01 87.300  0.9272 
1 1 1 5  25 11 o 16 1.15717e+02 4.67761e+01 1.31915e+02 132.412 -2.89791e+00 3.17231e+00  0.00000e+00 0.00000e+00 5.48515e+01 132.412 7.70638e+01 312.412 0.8740 
1 1 1 5  25 12 o 8  9.54579e+01 3.07960e+01 7.50721e+01 89.403  3.03142e-02  2.90923e+00  0.00000e+00 0.00000e+00 6.73087e+01 89.403  7.76339e+00 269.403 0.8031 
1 1 1 5  25 13 o 6  8.77095e+01 3.10224e+01 5.23681e+01 46.055  1.45621e+00  1.51085e+00  0.00000e+00 0.00000e+00 6.45663e+01 46.055  1.21982e+01 46.055  0.7133 
1 1 1 5  25 14 o 10 8.53174e+01 3.25708e+01 3.54492e+01 203.850 -1.21515e+00 -5.37212e-01 0.00000e+00 0.00000e+00 5.29885e+01 203.850 1.75393e+01 203.850 0.5508 
1 1 1 5  25 15 o 9  8.91333e+01 3.30672e+01 2.54718e+01 43.343  7.82369e-01  7.38367e-01  0.00000e+00 0.00000e+00 5.43817e+01 43.343  2.89100e+01 43.343  0.4726 
1 1 1 5  25 16 o 14 6.47298e+01 2.41148e+01 6.04881e+01 346.332 2.13131e+00  -5.18296e-01 0.00000e+00 0.00000e+00 2.94339e+01 346.332 3.10543e+01 166.332 0.7271 
1 1 1 5  25 17 o 11 9.30707e+01 2.34024e+01 3.31368e+01 244.989 -9.06718e-01 -1.94348e+00 0.00000e+00 0.00000e+00 9.59873e+01 244.989 6.28505e+01 244.989 0.7201 
1 1 1 5  25 18 o 12 9.36267e+01 2.55408e+01 4.33750e+01 109.400 -9.56132e-01 2.71509e+00  0.00000e+00 0.00000e+00 1.02310e+02 109.400 5.89351e+01 109.400 0.8006 
1 1 1 5  25 19 o 1  4.86425e+01 2.15999e+01 1.00658e+01 353.614 4.53299e-01  -5.07315e-02 0.00000e+00 0.00000e+00 1.11508e+01 353.614 1.08499e+00 353.614 0.2223 
1 1 1 5  25 20 o 13 7.40562e+01 2.63156e+01 3.09089e+01 237.525 -1.01651e+00 -1.59710e+00 0.00000e+00 0.00000e+00 6.87766e+01 237.525 3.78677e+01 237.525 0.6794 
1 1 1 5  25 21 o 5  6.71597e+01 2.60934e+01 2.90706e+01 173.847 -1.80086e+00 1.94143e-01  0.00000e+00 0.00000e+00 6.02273e+01 173.847 3.11566e+01 173.847 0.6642 
1 1 1 5  25 22 o 4  5.91328e+01 2.49887e+01 1.18098e+01 86.222  4.49789e-02  6.81079e-01  0.00000e+00 0.00000e+00 2.68214e+01 86.222  1.50116e+01 86.222  0.3228 
1 1 1 5  25 23 o 15 5.01245e+01 2.33759e+01 2.87861e+01 352.277 1.55884e+00  -2.11389e-01 0.00000e+00 0.00000e+00 3.41731e+01 352.277 5.38692e+00 352.277 0.6137 
1 1 1 5  25 24 o 5  4.16792e+01 2.02135e+01 2.17095e+01 318.666 1.03660e+00  -9.11750e-01 0.00000e+00 0.00000e+00 2.70782e+01 318.666 5.36873e+00 318.666 0.5652 
1 1 1 5  25 25 o 19 5.14457e+01 2.39518e+01 2.27396e+01 279.015 2.15381e-01  -1.35754e+00 0.00000e+00 0.00000e+00 3.80532e+01 279.015 1.53135e+01 279.015 0.5635 
1 1 1 5  25 26 o 2  4.97906e+01 2.36736e+01 3.85223e+01 135.643 -1.75244e+00 1.71356e+00  0.00000e+00 0.00000e+00 4.18056e+01 135.643 3.28331e+00 135.643 0.7596 
1 1 1 5  25 27 o 5  4.50708e+01 2.19096e+01 1.96638e+01 66.715  5.30029e-01  1.23160e+00  0.00000e+00 0.00000e+00 3.41087e+01 66.715  1.44449e+01 66.715  0.5542 
1 1 1 5  25 28 o 6  4.65722e+01 2.25499e+01 1.16345e+01 282.923 1.83469e-01  -7.99595e-01 0.00000e+00 0.00000e+00 2.69064e+01 282.923 1.52719e+01 282.923 0.3791 
1 1 1 5  26 0  o 3  2.43071e+01 1.74643e+01 7.01177e+01 90.000  2.28586e-17  3.73309e-01  0.00000e+00 0.00000e+00 5.41520e+01 270.000 1.24270e+02 270.000 0.3569 
1 1 1 5  26 1  o 15 1.06629e+02 2.16641e+01 9.88223e+01 271.550 1.10660e-01  -4.08898e+00 0.00000e+00 0.00000e+00 7.13512e+01 271.550 2.74712e+01 91.550  0.8669 
1 1 1 5  26 2  o 8  7.14253e+01 2.28483e+01 1.27227e+02 194.780 -3.34114e+00 -8.81517e-01 0.00000e+00 0.00000e+00 1.68570e+01 14.780  1.44084e+02 14.780  0.8387 
1 1 1 5  26 3  o 7  1.30281e+02 3.79924e+01 1.62655e+02 308.094 3.85322e+00  -4.91524e+00 0.00000e+00 0.00000e+00 5.74849e+01 308.094 1.05171e+02 128.094 0.9160 
1 1 1 5  26 4  o 11 5.44019e+01 2.45049e+01 2.01853e+01 149.524 -3.60230e-01 2.11991e-01  0.00000e+00 0.00000e+00 3.78577e-01 149.524 1.98068e+01 329.524 0.2046 
1 1 1 5  26 5  o 18 1.36933e+02 2.63379e+01 1.83277e+02 109.868 -3.12595e+00 8.65055e+00  0.00000e+00 0.00000e+00 5.61289e+01 109.868 1.27149e+02 289.868 0.9440 
1 1 1 5  26 6  o 10 6.40922e+01 2.61170e+01 4.34596e+01 346.865 1.20230e+00  -2.80561e-01 0.00000e+00 0.00000e+00 1.88401e+01 346.865 2.46195e+01 166.865 0.5234 
1 1 1 5  26 7  o 19 1.53288e+02 2.27422e+01 8.51636e+01 220.768 -4.98905e+00 -4.30151e+00 0.00000e+00 0.00000e+00 1.77793e+02 220.768 9.26299e+01 220.768 0.9206 
1 1 1 5  26 8  o 15 1.10398e+02 2.58472e+01 1.03765e+02 195.377 -5.16072e+00 -1.41929e+00 0.00000e+00 0.00000e+00 8.22750e+01 195.377 2.14900e+01 15.377  0.9010 
1 1 1 5  26 9  f 0  7.00472e+01 2.07512e+01 5.73254e+01 181.984 -2.04436e+00 -7.08283e-02 0.00000e+00 0.00000e+00 3.54551e+01 181.984 2.18703e+01 1.984   0.7051 
1 1 1 5  26 10 o 16 2.19718e+02 1.48774e+01 1.22659e+02 324.197 1.19316e+01  -8.60619e+00 0.00000e+00 0.00000e+00 2.77703e+02 324.197 1.55044e+02 324.197 0.9654 
1 1 1 5  26 11 o 13 1.55502e+02 1.67283e+01 1.17013e+02 36.171  9.49030e+00  6.93856e+00  0.00000e+00 0.00000e+00 1.65210e+02 36.171  4.81967e+01 36.171  0.9565 
1 1 1 5  26 12 o 15 7.12159e+01 2.80864e+01 6.13583e+01 50.358  1.50258e+00  1.81359e+00  0.00000e+00 0.00000e+00 4.03471e+01 50.358  2.10112e+01 230.358 0.7483 
1 1 1 5  26 13 o 11 7.38169e+01 3.03412e+01 5.35434e+01 220.539 -1.54306e+00 -1.31972e+00 0.00000e+00 0.00000e+00 4.60826e+01 220.539 7.46078e+00 40.539  0.7027 
1 1 1 5  26 14 o 1  3.97350e+01 1.95925e+01 5.91996e+01 263.123 -1.77738e-01 -1.47367e+00 0.00000e+00 0.00000e+00 1.36937e+01 83.123  7.28933e+01 83.123  0.5922 
1 1 1 5  26 15 o 19 4.37150e+01 2.08519e+01 3.09785e+01 253.953 -2.83520e-01 -9.85711e-01 0.00000e+00 0.00000e+00 7.80164e+00 253.953 2.31769e+01 73.953  0.4554 
1 1 1 5  26 16 o 17 6.47187e+01 2.67131e+01 2.52311e+01 75.030  2.77440e-01  1.03763e+00  0.00000e+00 0.00000e+00 3.47428e+01 75.030  9.51171e+00 75.030  0.4720 
1 1 1 5  26 17 o 12 6.71527e+01 2.40511e+01 4.64919e+01 292.580 9.36343e-01  -2.25167e+00 0.00000e+00 0.00000e+00 5.42942e+01 292.580 7.80229e+00 292.580 0.7581 
1 1 1 5  26 18 o 11 5.37372e+01 2.20492e+01 2.79466e+01 198.019 -1.37498e+00 -4.47263e-01 0.00000e+00 0.00000e+00 3.45657e+01 198.019 6.61916e+00 198.019 0.5825 
1 1 1 5  26 19 o 3  5.88258e+01 2.41325e+01 1.89978e+01 111.833 -4.06253e-01 1.01401e+00  0.00000e+00 0.00000e+00 3.77057e+01 111.833 1.87078e+01 111.833 0.4782 
1 1 1 5  26 20 o 1  7.35218e+01 2.72409e+01 7.41400e+00 53.625  2.76945e-01  3.75988e-01  0.00000e+00 0.00000e+00 2.66145e+01 53.625  1.92005e+01 53.625  0.2273 
1 1 1 5  26 21 o 11 8.20652e+01 2.79616e+01 4.64535e+01 260.466 -5.40325e-01 -3.21727e+00 0.00000e+00 0.00000e+00 9.32593e+01 260.466 4.68058e+01 260.466 0.8277 
1 1 1 5  26 22 o 8  7.26943e+01 2.79877e+01 4.71465e+01 72.934  8.77507e-01  2.85838e+00  0.00000e+00 0.00000e+00 7.51798e+01 72.934  2.80333e+01 72.934  0.8092 
1 1 1 5  26 23 o 4  5.58917e+01 2.50470e+01 2.90946e+01 92.859  -9.11397e-02 1.82472e+00  0.00000e+00 0.00000e+00 4.93352e+01 92.859  2.02405e+01 92.859  0.6672 
1 1 1 5  26 24 o 18 5.19828e+01 2.37188e+01 3.51635e+01 261.298 -3.39092e-01 -2.21541e+00 0.00000e+00 0.00000e+00 4.60018e+01 261.298 1.08384e+01 261.298 0.7337 
1 1 1 5  26 25 o 2  5.96992e+01 2.64182e+01 1.70431e+00 305.204 6.25737e-02  -8.86914e-02 0.00000e+00 0.00000e+00 5.26649e+00 305.204 3.56218e+00 305.204 0.0542 
1 1 1 5  26 26 f 0  3.04544e+01 1.55152e+01 9.90993e+00 196.795 -7.30537e-01 -2.20492e-01 0.00000e+00 0.00000e+00 1.37676e+01 196.795 3.85768e+00 196.795 0.3562 
1 1 1 5  26 27 o 4  4.33721e+01 2.12827e+01 1.62131e+01 133.829 -8.04521e-01 8.38082e-01  0.00000e+00 0.00000e+00 3.18287e+01 133.829 1.56157e+01 133.829 0.5008 
1 1 1 5  27 0  o 7  5.98209e+01 3.33717e+01 2.51805e+01 90.000  2.28281e-17  3.72811e-01  0.00000e+00 0.00000e+00 1.51890e+01 90.000  9.99155e+00 270.000 0.3564 
1 1 1 5  27 1  o 4  6.52562e+01 2.35744e+01 1.02847e+02 74.322  8.97681e-01  3.19832e+00  0.00000e+00 0.00000e+00 1.26667e-01 254.322 1.02974e+02 254.322 0.8312 
1 1 1 5  27 2  o 4  1.17586e+02 2.95472e+01 1.49254e+02 192.968 -7.35766e+00 -1.69430e+00 0.00000e+00 0.00000e+00 5.82575e+01 192.968 9.09967e+01 12.968  0.9312 
1 1 1 5  27 3  o 7  6.18841e+01 2.23209e+01 5.16804e+01 283.350 3.69218e-01  -1.55578e+00 0.00000e+00 0.00000e+00 2.10855e+01 283.350 3.05949e+01 103.350 0.6197 
1 1 1 5  27 4  o 12 4.93967e+01 2.30824e+01 4.40912e+01 284.092 2.59810e-01  -1.03499e+00 0.00000e+00 0.00000e+00 8.79664e-03 284.092 4.40824e+01 104.092 0.4697 
1 1 1 5  27 5  o 15 6.65352e+01 2.72441e+01 4.40112e+01 209.098 -1.11496e+00 -6.20523e-01 0.00000e+00 0.00000e+00 2.38948e+01 209.098 2.01164e+01 29.098  0.5357 
1 1 1 5  27 6  o 10 7.56869e+01 2.89631e+01 9.28040e+01 82.973  3.57975e-01  2.90400e+00  0.00000e+00 0.00000e+00 2.35062e+01 82.973  6.92978e+01 262.973 0.8044 
1 1 1 5  27 7  o 17 6.17264e+01 2.57410e+01 5.90366e+01 55.496  1.09089e+00  1.58704e+00  0.00000e+00 0.00000e+00 2.20338e+01 55.496  3.70028e+01 235.496 0.6852 
1 1 1 5  27 8  o 4  5.78359e+01 2.09938e+01 6.78316e+01 327.822 1.99898e+00  -1.25775e+00 0.00000e+00 0.00000e+00 1.55252e+01 327.822 5.23065e+01 147.822 0.7491 
1 1 1 5  27 9  o 19 1.15402e+02 2.70901e+01 9.42288e+01 139.044 -4.19213e+00 3.63848e+00  0.00000e+00 0.00000e+00 1.07526e+02 139.044 1.32972e+01 139.044 0.9048 
1 1 1 5  27 10 o 7  8.19600e+01 2.07045e+01 2.73191e+01 135.279 -1.04968e+00 1.03950e+00  0.00000e+00 0.00000e+00 6.66435e+01 135.279 3.93244e+01 135.279 0.5905 
1 1 1 5  27 11 o 9  8.07448e+01 2.08707e+01 6.33912e+01 257.960 -7.20495e-01 -3.37807e+00 0.00000e+00 0.00000e+00 6.87870e+01 257.960 5.39580e+00 257.960 0.8387 
1 1 1 5  27 12 o 10 9.33278e+01 2.11149e+01 8.45669e+01 307.717 3.08382e+00  -3.98757e+00 0.00000e+00 0.00000e+00 7.92957e+01 307.717 5.27127e+00 127.717 0.8943 
1 1 1 5  27 13 o 1  6.07870e+01 2.17737e+01 1.55650e+01 204.028 -6.37259e-01 -2.84101e-01 0.00000e+00 0.00000e+00 2.39725e+01 204.028 8.40749e+00 204.028 0.3292 
1 1 1 5  27 14 o 5  6.34549e+01 2.63335e+01 4.64608e+01 123.852 -1.09521e+00 1.63283e+00  0.00000e+00 0.00000e+00 4.09014e+01 123.852 5.55947e+00 303.852 0.6921 
1 1 1 5  27 15 o 18 4.71850e+01 2.20756e+01 9.77098e+00 326.131 3.22793e-01  -2.16657e-01 0.00000e+00 0.00000e+00 8.26852e+00 326.131 1.50246e+00 146.131 0.1908 
1 1 1 5  27 16 o 2  4.26821e+01 2.06444e+01 5.23432e+01 124.082 -1.20972e+00 1.78796e+00  0.00000e+00 0.00000e+00 9.90697e+00 124.082 4.24363e+01 304.082 0.7222 
1 1 1 5  27 17 o 14 5.00084e+01 2.35024e+01 3.65991e+01 115.347 -7.29259e-01 1.53948e+00  0.00000e+00 0.00000e+00 2.88360e+01 115.347 7.76308e+00 295.347 0.6426 
1 1 1 5  27 18 o 13 6.98014e+01 2.49047e+01 4.21845e+01 235.169 -1.64221e+00 -2.36012e+00 0.00000e+00 0.00000e+00 7.25822e+01 235.169 3.03976e+01 235.169 0.8003 
1 1 1 5  27 19 o 17 6.08729e+01 2.47216e+01 4.48503e+01 325.027 2.20461e+00  -1.54213e+00 0.00000e+00 0.00000e+00 5.41416e+01 325.027 9.29136e+00 325.027 0.7842 
1 1 1 5  27 20 o 9  7.05549e+01 2.67824e+01 2.57519e+01 210.314 -1.42721e+00 -8.34446e-01 0.00000e+00 0.00000e+00 6.75984e+01 210.314 4.18465e+01 210.314 0.6318 
1 1 1 5  27 21 o 7  4.06477e+01 1.94047e+01 2.38605e+01 356.970 1.43533e+00  -7.59682e-02 0.00000e+00 0.00000e+00 2.60461e+01 356.970 2.18563e+00 356.970 0.5803 
1 1 1 5  27 22 o 16 5.68121e+01 2.51124e+01 4.00395e+01 22.818  2.29658e+00  9.66247e-01  0.00000e+00 0.00000e+00 5.28117e+01 22.818  1.27723e+01 22.818  0.7641 
1 1 1 5  27 23 o 1  7.75295e+01 2.95364e+01 4.39162e+00 171.115 -2.90304e-01 4.53830e-02  0.00000e+00 0.00000e+00 1.99880e+01 171.115 1.55964e+01 171.115 0.1454 
1 1 1 5  27 24 o 11 5.70949e+01 2.51133e+01 2.20021e+01 187.079 -1.50714e+00 -1.87153e-01 0.00000e+00 0.00000e+00 5.30839e+01 187.079 3.10818e+01 187.079 0.6007 
1 1 1 5  27 25 o 5  5.66306e+01 2.53700e+01 1.89246e+01 127.955 -7.80289e-01 1.00035e+00  0.00000e+00 0.00000e+00 4.80441e+01 127.955 2.91195e+01 127.955 0.5335 
1 1 1 5  27 26 o 4  4.86855e+01 2.31807e+01 2.21673e+01 28.890  1.33902e+00  7.38875e-01  0.00000e+00 0.00000e+00 4.37768e+01 28.890  2.16095e+01 28.890  0.6033 
1 1 1 5  28 0  o 14 4.60090e+01 2.83746e+01 6.98686e+01 270.000 -6.10297e-17 -9.96691e-01 0.00000e+00 0.00000e+00 1.68031e+00 90.000  7.15489e+01 90.000  0.7602 
1 1 1 5  28 1  o 18 5.42483e+01 2.19703e+01 4.52606e+01 288.190 4.53111e-01  -1.37892e+00 0.00000e+00 0.00000e+00 1.65090e+01 288.190 2.87516e+01 108.190 0.5839 
1 1 1 5  28 2  o 4  3.48352e+01 1.64761e+01 5.27483e+01 36.061  9.98189e-01  7.26848e-01  0.00000e+00 0.00000e+00 1.71649e+01 216.061 6.99132e+01 216.061 0.5234 
1 1 1 5  28 3  o 2  8.52389e+01 2.88047e+01 1.24111e+02 113.669 -2.08433e+00 4.75517e+00  0.00000e+00 0.00000e+00 2.53992e+01 113.669 9.87115e+01 293.669 0.8977 
1 1 1 5  28 4  o 4  4.41963e+01 2.10642e+01 6.04944e+01 40.888  1.21291e+00  1.05020e+00  0.00000e+00 0.00000e+00 6.77906e+00 220.888 6.72735e+01 220.888 0.6209 
1 1 1 5  28 5  o 15 6.68469e+01 2.69686e+01 5.94986e+01 294.857 9.33487e-01  -2.01500e+00 0.00000e+00 0.00000e+00 3.63551e+01 294.857 2.31435e+01 114.857 0.7309 
1 1 1 5  28 6  o 18 8.76947e+01 3.06609e+01 1.28046e+02 202.002 -5.18153e+00 -2.09373e+00 0.00000e+00 0.00000e+00 2.81681e+01 202.002 9.98777e+01 22.002  0.9055 
1 1 1 5  28 7  o 14 5.90840e+01 2.51444e+01 5.27940e+01 237.829 -9.99531e-01 -1.58900e+00 0.00000e+00 0.00000e+00 2.61051e+01 237.829 2.66889e+01 57.829  0.6765 
1 1 1 5  28 8  o 5  1.07203e+02 2.81652e+01 1.58671e+02 5.405   8.62642e+00  8.16204e-01  0.00000e+00 0.00000e+00 4.10690e+01 5.405   1.17602e+02 185.405 0.9404 
1 1 1 5  28 9  o 13 7.58449e+01 2.20945e+01 5.85809e+01 16.641  2.66231e+00  7.95742e-01  0.00000e+00 0.00000e+00 6.09739e+01 16.641  2.39305e+00 16.641  0.7922 
1 1 1 5  28 10 o 11 7.56128e+01 2.29099e+01 5.76160e+01 179.645 -3.11602e+00 1.93079e-02  0.00000e+00 0.00000e+00 6.60792e+01 179.645 8.46317e+00 179.645 0.8182 
1 1 1 5  28 11 o 5  7.47865e+01 2.15318e+01 4.31978e+01 207.761 -2.26833e+00 -1.19398e+00 0.00000e+00 0.00000e+00 7.28061e+01 207.761 2.96082e+01 207.761 0.7717 
1 1 1 5  28 12 o 7  5.67275e+01 2.04704e+01 1.23691e+01 112.981 -2.33704e-01 5.51071e-01  0.00000e+00 0.00000e+00 2.05039e+01 112.981 8.13479e+00 112.981 0.2866 
1 1 1 5  28 13 o 5  6.01778e+01 2.17562e+01 3.51576e+01 49.559  1.17063e+00  1.37351e+00  0.00000e+00 0.00000e+00 4.60062e+01 49.559  1.08486e+01 49.559  0.6629 
1 1 1 5  28 14 o 6  4.67250e+01 1.99005e+01 4.98224e+00 128.575 -1.53834e-01 1.92880e-01  0.00000e+00 0.00000e+00 6.73521e+00 128.575 1.75297e+00 128.575 0.1224 
1 1 1 5  28 15 f 0  4.76551e+01 2.23644e+01 1.86521e+01 243.165 -3.92955e-01 -7.76751e-01 0.00000e+00 0.00000e+00 2.05451e+01 243.165 1.89294e+00 243.165 0.3986 
1 1 1 5  28 16 o 3  6.80108e+01 2.84097e+01 5.42297e+01 333.752 2.71063e+00  -1.33661e+00 0.00000e+00 0.00000e+00 6.05605e+01 333.752 6.33086e+00 333.752 0.8116 
1 1 1 5  28 17 o 2  5.35428e+01 2.49074e+01 3.55551e+01 144.571 -1.47192e+00 1.04716e+00  0.00000e+00 0.00000e+00 3.89156e+01 144.571 3.36054e+00 144.571 0.6633 
1 1 1 5  28 18 o 4  4.49508e+01 2.04647e+01 2.32109e+01 214.198 -1.08004e+00 -7.33943e-01 0.00000e+00 0.00000e+00 2.85534e+01 214.198 5.34246e+00 214.198 0.5443 
1 1 1 5  28 19 o 11 4.93305e+01 2.17763e+01 2.67764e+01 13.987  1.54479e+00  3.84783e-01  0.00000e+00 0.00000e+00 3.83301e+01 13.987  1.15537e+01 13.987  0.6181 
1 1 1 5  28 20 o 4  8.52039e+01 2.84057e+01 2.22004e+01 207.525 -1.53321e+00 -7.98989e-01 0.00000e+00 0.00000e+00 9.68346e+01 207.525 7.46342e+01 207.525 0.6478 
1 1 1 5  28 21 o 12 3.61776e+01 1.76727e+01 1.30098e+01 138.338 -6.05851e-01 5.39075e-01  0.00000e+00 0.00000e+00 1.65842e+01 138.338 3.57442e+00 138.338 0.3754 
1 1 1 5  28 22 o 3  4.44113e+01 2.10534e+01 8.07676e+00 334.637 4.90219e-01  -2.32387e-01 0.00000e+00 0.00000e+00 1.75275e+01 334.637 9.45074e+00 334.637 0.2617 
1 1 1 5  28 23 o 1  3.94237e+01 1.91000e+01 3.46291e+01 262.092 -3.44895e-01 -2.48294e+00 0.00000e+00 0.00000e+00 3.26234e+01 262.092 2.00571e+00 82.092  0.7657 
1 1 1 5  28 24 o 19 3.72610e+01 1.82788e+01 1.78556e+01 36.328  1.08131e+00  7.95121e-01  0.00000e+00 0.00000e+00 2.87329e+01 36.328  1.08773e+01 36.328  0.5546 
1 1 1 5  29 0  o 12 5.52139e+01 3.13019e+01 5.57295e+01 90.000  5.69426e-17  9.29944e-01  0.00000e+00 0.00000e+00 2.53378e+01 90.000  3.03917e+01 270.000 0.7306 
1 1 1 5  29 1  o 18 4.31944e+01 1.96083e+01 7.13678e+01 257.952 -4.15343e-01 -1.94598e+00 0.00000e+00 0.00000e+00 1.09255e+01 77.952  8.22933e+01 77.952  0.6961 
1 1 1 5  29 2  o 15 6.75945e+01 2.71769e+01 8.70775e+01 334.452 2.78378e+00  -1.33064e+00 0.00000e+00 0.00000e+00 2.38999e+01 334.452 6.31776e+01 154.452 0.8161 
1 1 1 5  29 3  o 3  5.48659e+01 2.42678e+01 7.96252e+01 288.462 7.85600e-01  -2.35304e+00 0.00000e+00 0.00000e+00 4.68545e+00 288.462 7.49397e+01 108.462 0.7629 
1 1 1 5  29 4  o 12 5.66863e+01 2.47729e+01 1.22129e+02 145.058 -3.30408e+00 2.30855e+00  0.00000e+00 0.00000e+00 2.32213e+01 325.058 1.45350e+02 325.058 0.8647 
1 1 1 5  29 5  o 5  5.15194e+01 2.26296e+01 4.93415e+01 110.211 -5.41576e-01 1.47111e+00  0.00000e+00 0.00000e+00 1.44685e+01 110.211 3.48731e+01 290.211 0.6124 
1 1 1 5  29 6  o 13 5.82126e+01 2.42782e+01 5.92998e+01 337.512 2.18484e+00  -9.04449e-01 0.00000e+00 0.00000e+00 2.91772e+01 337.512 3.01226e+01 157.512 0.7494 
1 1 1 5  29 7  o 6  4.79403e+01 2.13245e+01 5.86115e+01 246.399 -8.45449e-01 -1.93506e+00 0.00000e+00 0.00000e+00 1.11613e+01 246.399 4.74502e+01 66.399  0.7153 
1 1 1 5  29 8  o 18 4.86666e+01 2.14369e+01 5.56460e+01 222.083 -1.59998e+00 -1.44483e+00 0.00000e+00 0.00000e+00 1.60963e+01 222.083 3.95498e+01 42.083  0.7218 
1 1 1 5  29 9  o 13 3.77826e+01 1.70862e+01 2.95015e+01 176.775 -1.07137e+00 6.03758e-02  0.00000e+00 0.00000e+00 7.05380e+00 176.775 2.24477e+01 356.775 0.4717 
1 1 1 5  29 10 o 8  7.92915e+01 2.20455e+01 4.25952e+01 290.708 1.01116e+00  -2.67477e+00 0.00000e+00 0.00000e+00 8.79865e+01 290.708 4.53913e+01 290.708 0.7990 
1 1 1 5  29 11 o 18 6.91018e+01 2.30262e+01 5.37353e+01 53.865  1.92744e+00  2.63978e+00  0.00000e+00 0.00000e+00 6.48213e+01 53.865  1.10860e+01 53.865  0.8280 
1 1 1 5  29 12 o 3  4.60681e+01 1.97513e+01 1.19400e+01 125.228 -3.37410e-01 4.77806e-01  0.00000e+00 0.00000e+00 1.50029e+01 125.228 3.06289e+00 125.228 0.2806 
1 1 1 5  29 13 o 14 5.30979e+01 2.08064e+01 1.01736e+01 133.646 -4.27297e-01 4.47992e-01  0.00000e+00 0.00000e+00 2.27446e+01 133.646 1.25710e+01 133.646 0.2956 
1 1 1 5  29 14 o 11 7.25110e+01 2.37568e+01 5.00828e+01 51.307  2.33412e+00  2.91423e+00  0.00000e+00 0.00000e+00 8.04353e+01 51.307  3.03525e+01 51.307  0.8524 
1 1 1 5  29 15 o 4  7.34018e+01 2.44099e+01 5.32905e+01 209.994 -3.28323e+00 -1.89514e+00 0.00000e+00 0.00000e+00 8.01960e+01 209.994 2.69055e+01 209.994 0.8550 
1 1 1 5  29 16 o 1  5.82218e+01 2.60205e+01 4.37291e+01 168.320 -2.31602e+00 4.78762e-01  0.00000e+00 0.00000e+00 4.98153e+01 168.320 6.08618e+00 168.320 0.7495 
1 1 1 5  29 17 o 8  6.23596e+01 2.77404e+01 3.82642e+01 302.698 1.12092e+00  -1.74613e+00 0.00000e+00 0.00000e+00 5.74044e+01 302.698 1.91402e+01 302.698 0.7097 
1 1 1 5  29 18 o 17 6.61837e+01 2.89704e+01 5.87517e+01 337.164 3.02348e+00  -1.27322e+00 0.00000e+00 0.00000e+00 6.08684e+01 337.164 2.11671e+00 337.164 0.8288 
1 1 1 5  29 19 f 0  5.35231e+01 2.34067e+01 2.18263e+01 144.186 -1.13375e+00 8.18101e-01  0.00000e+00 0.00000e+00 4.53202e+01 144.186 2.34939e+01 144.186 0.5699 
1 1 1 5  29 20 o 19 7.01064e+01 2.74810e+01 2.70332e+01 146.674 -1.50995e+00 9.92845e-01  0.00000e+00 0.00000e+00 7.63589e+01 146.674 4.93257e+01 146.674 0.6634 
1 1 1 5  29 21 o 4  6.46237e+01 2.68062e+01 3.87705e+01 53.276  1.52022e+00  2.03772e+00  0.00000e+00 0.00000e+00 7.29280e+01 53.276  3.41575e+01 53.276  0.7695 
1 1 1 5  29 22 o 3  5.48762e+01 2.44574e+01 2.34256e+01 206.125 -1.43086e+00 -7.01751e-01 0.00000e+00 0.00000e+00 5.36352e+01 206.125 3.02096e+01 206.125 0.6185 
1 1 1 5  29 23 o 13 4.00416e+01 1.94671e+01 2.26765e+01 227.389 -1.14870e+00 -1.24871e+00 0.00000e+00 0.00000e+00 3.62799e+01 227.389 1.36034e+01 227.389 0.6411 
1 1 1 5  30 0  o 19 3.43950e+01 2.35321e+01 7.26997e+01 270.000 -7.19252e-17 -1.17463e+00 0.00000e+00 0.00000e+00 1.37961e+01 90.000  8.64958e+01 90.000  0.8257 
1 1 1 5  30 1  f 0  6.63198e+01 2.53353e+01 1.43937e+01 237.549 -3.54856e-01 -5.58064e-01 0.00000e+00 0.00000e+00 2.87803e+01 237.549 1.43867e+01 237.549 0.3138 
1 1 1 5  30 2  o 5  7.73435e+01 2.59138e+01 1.01183e+02 158.406 -5.11486e+00 2.02452e+00  0.00000e+00 0.00000e+00 4.39444e+01 158.406 5.72383e+01 338.406 0.9038 
1 1 1 5  30 3  o 14 1.16786e+02 2.07695e+01 7.76621e+01 37.876  6.08919e+00  4.73627e+00  0.00000e+00 0.00000e+00 1.48766e+02 37.876  7.11042e+01 37.876  0.9327 
1 1 1 5  30 4  o 3  4.02029e+01 1.83362e+01 1.94144e+01 11.610  7.07953e-01  1.45451e-01  0.00000e+00 0.00000e+00 9.02048e+00 11.610  1.03939e+01 191.610 0.3397 
1 1 1 5  30 5  o 10 3.42197e+01 1.68392e+01 5.46533e+01 227.980 -1.29831e+00 -1.44090e+00 0.00000e+00 0.00000e+00 5.54640e+00 47.980  6.01997e+01 47.980  0.6876 
1 1 1 5  30 6  o 7  6.87251e+01 2.60484e+01 7.09255e+01 108.716 -1.13181e+00 3.34078e+00  0.00000e+00 0.00000e+00 5.02554e+01 108.716 2.06701e+01 288.716 0.8425 
1 1 1 5  30 7  f 0  5.46182e+01 2.36289e+01 1.44817e+01 38.397  5.32788e-01  4.22241e-01  0.00000e+00 0.00000e+00 2.24090e+01 38.397  7.92730e+00 38.397  0.3217 
1 1 1 5  30 8  f 0  7.97863e+01 2.20590e+01 1.69449e+01 253.293 -3.75061e-01 -1.24962e+00 0.00000e+00 0.00000e+00 7.45396e+01 253.293 5.75947e+01 253.293 0.5440 
1 1 1 5  30 9  o 5  3.96579e+01 1.78791e+01 4.93719e+01 164.566 -2.28172e+00 6.29936e-01  0.00000e+00 0.00000e+00 1.35649e+01 164.566 3.58070e+01 344.566 0.7497 
1 1 1 5  30 10 o 17 4.27615e+01 1.88880e+01 4.56761e+01 330.993 1.95823e+00  -1.08576e+00 0.00000e+00 0.00000e+00 2.10246e+01 330.993 2.46514e+01 150.994 0.7334 
1 1 1 5  30 11 o 16 5.01229e+01 2.10344e+01 4.67262e+01 116.266 -1.22898e+00 2.49033e+00  0.00000e+00 0.00000e+00 3.81604e+01 116.266 8.56582e+00 296.266 0.7921 
1 1 1 5  30 12 o 7  3.38672e+01 1.62535e+01 9.67320e+00 98.393  -7.08885e-02 4.80478e-01  0.00000e+00 0.00000e+00 7.51250e+00 98.393  2.16070e+00 278.393 0.2359 
1 1 1 5  30 13 o 14 7.99179e+01 2.45154e+01 5.22916e+01 322.010 3.23956e+00  -2.53010e+00 0.00000e+00 0.00000e+00 9.77772e+01 322.010 4.54857e+01 322.010 0.8676 
1 1 1 5  30 14 o 18 6.50906e+01 2.25601e+01 1.24823e+01 40.594  6.84461e-01  5.86522e-01  0.00000e+00 0.00000e+00 4.57206e+01 40.594  3.32384e+01 40.594  0.4104 
1 1 1 5  30 15 o 5  2.86356e+01 1.41329e+01 1.15136e+01 341.107 5.84831e-01  -2.00152e-01 0.00000e+00 0.00000e+00 7.04068e+00 341.107 4.47291e+00 161.107 0.2952 
1 1 1 5  30 16 o 17 5.82876e+01 2.61428e+01 3.89663e+01 158.490 -2.06710e+00 8.14683e-01  0.00000e+00 0.00000e+00 5.52990e+01 158.490 1.63327e+01 158.490 0.7310 
1 1 1 5  30 17 o 6  3.89410e+01 1.93748e+01 2.81013e+01 245.715 -6.94906e-01 -1.54011e+00 0.00000e+00 0.00000e+00 2.74619e+01 245.715 6.39421e-01 65.715  0.6396 
1 1 1 5  30 18 o 9  5.83722e+01 2.69480e+01 2.73338e+01 339.703 1.46282e+00  -5.41033e-01 0.00000e+00 0.00000e+00 5.28712e+01 339.703 2.55374e+01 339.703 0.6105 
1 1 1 5  30 19 o 9  5.29276e+01 2.56388e+01 1.34891e+01 145.449 -6.37771e-01 4.39167e-01  0.00000e+00 0.00000e+00 2.98885e+01 145.449 1.63994e+01 145.449 0.3608 
1 1 1 5  30 20 o 2  5.67105e+01 2.45900e+01 1.48572e+01 320.490 7.84940e-01  -6.47282e-01 0.00000e+00 0.00000e+00 4.40147e+01 320.490 2.91575e+01 320.490 0.4525 
1 1 1 5  30 21 o 14 5.02315e+01 2.33432e+01 1.61176e+01 41.643  8.09642e-01  7.19928e-01  0.00000e+00 0.00000e+00 3.92075e+01 41.643  2.30899e+01 41.643  0.4752 
1 1 1 5  30 22 o 7  5.38936e+01 2.38296e+01 1.09602e+01 243.429 -3.45967e-01 -6.91750e-01 0.00000e+00 0.00000e+00 3.45541e+01 243.429 2.35939e+01 243.429 0.3604 
1 1 1 5  31 0  o 18 3.74550e+01 2.51094e+01 4.80492e+01 270.000 -6.44504e-17 -1.05255e+00 0.00000e+00 0.00000e+00 1.47683e+01 270.000 3.32809e+01 90.000  0.7828 
1 1 1 5  31 1  o 17 3.60423e+01 1.73732e+01 1.39132e+01 189.042 -5.88960e-01 -9.37263e-02 0.00000e+00 0.00000e+00 8.15205e+00 189.042 5.76110e+00 9.042   0.2857 
1 1 1 5  31 2  o 5  4.86715e+01 2.14630e+01 4.51941e+01 124.240 -1.22285e+00 1.79667e+00  0.00000e+00 0.00000e+00 3.04094e+01 124.240 1.47847e+01 304.240 0.7243 
1 1 1 5  31 3  o 5  5.06657e+01 2.10551e+01 6.85088e+01 109.416 -1.15932e+00 3.28921e+00  0.00000e+00 0.00000e+00 2.29308e+01 109.416 4.55780e+01 289.415 0.8405 
1 1 1 5  31 4  o 13 4.79621e+01 2.05879e+01 4.73906e+01 304.661 1.37710e+00  -1.99170e+00 0.00000e+00 0.00000e+00 3.06272e+01 304.661 1.67634e+01 124.661 0.7562 
1 1 1 5  31 5  o 1  3.35151e+01 1.66795e+01 7.43954e+01 347.585 3.10359e+00  -6.83224e-01 0.00000e+00 0.00000e+00 1.49739e+01 167.585 8.93693e+01 167.585 0.8223 
1 1 1 5  31 6  f 0  5.52375e+01 2.40955e+01 1.63884e+01 156.910 -8.04465e-01 3.42966e-01  0.00000e+00 0.00000e+00 3.14022e+01 156.910 1.50138e+01 156.910 0.4002 
1 1 1 5  31 7  o 14 4.28566e+01 2.03327e+01 2.17675e+01 187.085 -1.07882e+00 -1.34093e-01 0.00000e+00 0.00000e+00 2.25205e+01 187.085 7.53045e-01 187.085 0.4764 
1 1 1 5  31 8  f 0  4.87445e+01 2.05020e+01 3.11961e+01 152.476 -1.63558e+00 8.52307e-01  0.00000e+00 0.00000e+00 3.99650e+01 152.476 8.76890e+00 152.476 0.6705 
1 1 1 5  31 9  o 5  4.36259e+01 1.92508e+01 2.43875e+01 216.768 -1.07743e+00 -8.05077e-01 0.00000e+00 0.00000e+00 2.85976e+01 216.768 4.21010e+00 216.768 0.5554 
1 1 1 5  31 10 o 6  7.40538e+01 2.37008e+01 6.24306e+01 24.212  4.31037e+00  1.93826e+00  0.00000e+00 0.00000e+00 8.18335e+01 24.212  1.94029e+01 24.212  0.8866 
1 1 1 5  31 11 o 12 4.81604e+01 2.05986e+01 2.99277e+00 203.690 -1.62993e-01 -7.15166e-02 0.00000e+00 0.00000e+00 6.43745e+00 203.690 3.44469e+00 203.690 0.0886 
1 1 1 5  31 12 o 8  3.50497e+01 1.68068e+01 1.41220e+01 325.426 6.32824e-01  -4.36137e-01 0.00000e+00 0.00000e+00 1.37903e+01 325.426 3.31771e-01 145.426 0.3584 
1 1 1 5  31 13 o 17 5.97270e+01 2.26679e+01 1.29787e+01 100.239 -1.64968e-01 9.13294e-01  0.00000e+00 0.00000e+00 4.31501e+01 100.239 3.01713e+01 100.239 0.4203 
1 1 1 5  31 14 o 1  4.60989e+01 2.20150e+01 6.11706e+01 204.263 -3.38203e+00 -1.52443e+00 0.00000e+00 0.00000e+00 2.71756e+01 204.263 3.39950e+01 24.263  0.8514 
1 1 1 5  31 15 o 2  4.40880e+01 1.95511e+01 7.49150e+00 4.008   4.99631e-01  3.50038e-02  0.00000e+00 0.00000e+00 1.67910e+01 4.008   9.29954e+00 4.008   0.2429 
1 1 1 5  31 16 o 8  6.80678e+01 2.44544e+01 2.80310e+01 31.315  1.83914e+00  1.11890e+00  0.00000e+00 0.00000e+00 8.41799e+01 31.315  5.61490e+01 31.315  0.7213 
1 1 1 5  31 17 o 13 4.54703e+01 2.22739e+01 3.67946e+01 256.541 -5.23124e-01 -2.18592e+00 0.00000e+00 0.00000e+00 4.01731e+01 256.541 3.37841e+00 256.541 0.7345 
1 1 1 5  31 18 f 0  4.55765e+01 2.24580e+01 2.30431e+01 156.434 -1.33943e+00 5.84247e-01  0.00000e+00 0.00000e+00 3.90948e+01 156.434 1.60517e+01 156.434 0.5864 
1 1 1 5  31 19 f 0  4.35997e+01 2.18319e+01 1.49911e+01 174.300 -9.51370e-01 9.49602e-02  0.00000e+00 0.00000e+00 2.90678e+01 174.300 1.40767e+01 174.300 0.4306 
1 1 1 5  31 20 o 14 4.61481e+01 2.30564e+01 2.46711e+01 348.346 1.53320e+00  -3.16215e-01 0.00000e+00 0.00000e+00 4.22507e+01 348.346 1.75796e+01 348.346 0.6119 
1 1 1 5  32 0  o 7  3.14791e+01 2.23247e+01 9.37455e+01 90.000  1.37984e-16  2.25345e+00  0.00000e+00 0.00000e+00 2.55197e+01 270.000 1.19265e+02 270.000 0.9782 
1 1 1 5  32 1  o 9  6.22961e+01 2.45785e+01 2.21299e+01 119.273 -6.43057e-01 1.14717e+00  0.00000e+00 0.00000e+00 5.33906e+01 119.273 3.12607e+01 119.273 0.5470 
1 1 1 5  32 2  o 14 4.81452e+01 2.16182e+01 4.80049e+01 295.585 1.11199e+00  -2.32243e+00 0.00000e+00 0.00000e+00 3.45281e+01 295.585 1.34769e+01 115.585 0.7729 
1 1 1 5  32 3  o 12 4.97565e+01 2.14646e+01 1.74212e+01 333.354 8.68905e-01  -4.35987e-01 0.00000e+00 0.00000e+00 3.08030e+01 333.354 1.33817e+01 333.354 0.4364 
1 1 1 5  32 4  o 8  3.43664e+01 1.66028e+01 5.02639e+01 34.943  2.05890e+00  1.43861e+00  0.00000e+00 0.00000e+00 8.31944e+00 34.943  4.19445e+01 214.943 0.7663 
1 1 1 5  32 5  o 4  5.07305e+01 2.33125e+01 1.49998e+01 252.386 -2.39559e-01 -7.54555e-01 0.00000e+00 0.00000e+00 2.65977e+01 252.386 1.15980e+01 252.386 0.3677 
1 1 1 5  32 6  o 11 4.81533e+01 2.23801e+01 4.92404e+01 210.270 -2.28973e+00 -1.33638e+00 0.00000e+00 0.00000e+00 3.47916e+01 210.270 1.44488e+01 30.270  0.7805 
1 1 1 5  32 7  o 1  3.81208e+01 1.87690e+01 2.61243e+01 160.208 -1.28159e+00 4.61190e-01  0.00000e+00 0.00000e+00 2.17751e+01 160.208 4.34918e+00 340.208 0.5601 
1 1 1 5  32 8  o 9  4.24841e+01 2.08318e+01 2.86492e+01 82.778  1.88206e-01  1.48532e+00  0.00000e+00 0.00000e+00 2.83125e+01 82.778  3.36720e-01 262.778 0.5954 
1 1 1 5  32 9  f 0  6.69415e+01 2.33098e+01 4.35661e+01 352.256 3.14416e+00  -4.27579e-01 0.00000e+00 0.00000e+00 8.08719e+01 352.256 3.73058e+01 352.256 0.8220 
1 1 1 5  32 10 f 0  4.72401e+01 2.04173e+01 3.41101e+01 133.739 -1.52439e+00 1.59301e+00  0.00000e+00 0.00000e+00 4.41111e+01 133.739 1.00010e+01 133.739 0.7287 
1 1 1 5  32 11 f 0  3.75818e+01 1.77077e+01 1.84298e+01 272.403 5.10117e-02  -1.21545e+00 0.00000e+00 0.00000e+00 2.60291e+01 272.403 7.59926e+00 272.403 0.5179 
1 1 1 5  32 12 o 6  3.07570e+01 1.51094e+01 3.41712e+01 340.421 2.04471e+00  -7.27233e-01 0.00000e+00 0.00000e+00 1.69807e+01 340.421 1.71905e+01 160.421 0.7238 
1 1 1 5  32 13 o 15 4.06255e+01 1.86498e+01 3.27903e+01 144.572 -1.72584e+00 1.22777e+00  0.00000e+00 0.00000e+00 3.44872e+01 144.572 1.69689e+00 144.572 0.7162 
1 1 1 5  32 14 o 17 4.08726e+01 1.86298e+01 2.36243e+01 269.669 -9.83287e-03 -1.70396e+00 0.00000e+00 0.00000e+00 3.75253e+01 269.669 1.39010e+01 269.669 0.6427 
1 1 1 5  32 15 o 17 4.02049e+01 1.84528e+01 1.43377e+01 34.040  8.38367e-01  5.66348e-01  0.00000e+00 0.00000e+00 2.81396e+01 34.040  1.38019e+01 34.040  0.4505 
1 1 1 5  32 16 o 6  5.69289e+01 2.31044e+01 2.63597e+01 142.414 -1.56188e+00 1.20218e+00  0.00000e+00 0.00000e+00 6.68755e+01 142.414 4.05158e+01 142.414 0.6929 
1 1 1 5  32 17 o 1  3.07574e+01 1.51883e+01 9.19015e+00 18.396  6.74968e-01  2.24478e-01  0.00000e+00 0.00000e+00 1.53591e+01 18.396  6.16892e+00 18.396  0.3349 
1 1 1 5  32 18 o 3  5.26335e+01 2.53937e+01 1.78524e+01 84.339  1.06414e-01  1.07353e+00  0.00000e+00 0.00000e+00 4.20825e+01 84.339  2.42302e+01 84.339  0.4736 
1 1 1 5  33 0  o 17 4.29497e+01 2.84182e+01 2.99208e+01 90.000  5.16046e-17  8.42766e-01  0.00000e+00 0.00000e+00 3.77884e+01 90.000  7.86763e+00 90.000  0.6873 
1 1 1 5  33 1  o 6  3.89388e+01 1.87114e+01 1.55250e+01 263.170 -1.02546e-01 -8.56176e-01 0.00000e+00 0.00000e+00 1.98075e+01 263.170 4.28254e+00 263.170 0.3955 
1 1 1 5  33 2  f 0  3.93883e+01 1.88656e+01 4.27040e+01 265.422 -1.89531e-01 -2.36704e+00 0.00000e+00 0.00000e+00 2.51847e+01 265.422 1.75193e+01 85.422  0.7506 
1 1 1 5  33 3  o 4  5.41836e+01 2.27750e+01 7.41165e+01 279.853 7.66548e-01  -4.41336e+00 0.00000e+00 0.00000e+00 3.54706e+01 279.853 3.86458e+01 99.853  0.8797 
1 1 1 5  33 4  o 15 6.33345e+01 2.40971e+01 4.00342e+01 112.976 -1.02070e+00 2.40739e+00  0.00000e+00 0.00000e+00 7.32934e+01 112.976 3.32593e+01 112.976 0.7769 
1 1 1 5  33 5  o 7  4.87062e+01 2.27962e+01 3.20697e+01 79.060  3.47552e-01  1.79800e+00  0.00000e+00 0.00000e+00 4.30366e+01 79.060  1.09668e+01 79.060  0.6680 
1 1 1 5  33 6  o 2  6.38189e+01 2.72904e+01 2.63842e+01 274.550 1.19685e-01  -1.50390e+00 0.00000e+00 0.00000e+00 6.19943e+01 274.550 3.56101e+01 274.550 0.5983 
1 1 1 5  33 7  o 11 6.86095e+01 2.83377e+01 1.08801e+01 118.673 -3.14032e-01 5.74224e-01  0.00000e+00 0.00000e+00 3.86547e+01 118.673 2.77747e+01 118.673 0.3109 
1 1 1 5  33 8  o 14 5.25409e+01 2.52707e+01 3.04294e+01 84.633  1.55362e-01  1.65374e+00  0.00000e+00 0.00000e+00 4.71609e+01 84.633  1.67315e+01 84.633  0.6335 
1 1 1 5  33 9  o 3  3.79842e+01 1.77628e+01 2.44492e+01 10.201  1.54465e+00  2.77951e-01  0.00000e+00 0.00000e+00 3.00489e+01 10.201  5.59973e+00 10.201  0.6128 
1 1 1 5  33 10 o 7  6.87744e+01 2.47264e+01 2.93399e+01 283.900 5.29575e-01  -2.13986e+00 0.00000e+00 0.00000e+00 8.85436e+01 283.900 5.92037e+01 283.900 0.7286 
1 1 1 5  33 11 o 7  4.78085e+01 2.08735e+01 2.51168e+01 61.155  8.57830e-01  1.55750e+00  0.00000e+00 0.00000e+00 4.92504e+01 61.155  2.41336e+01 61.155  0.6578 
1 1 1 5  33 12 o 10 3.89584e+01 1.83414e+01 3.29270e+01 128.196 -1.39739e+00 1.77600e+00  0.00000e+00 0.00000e+00 3.52907e+01 128.196 2.36368e+00 128.196 0.7361 
1 1 1 5  33 13 o 2  4.29244e+01 1.95278e+01 5.37684e+01 222.730 -2.91281e+00 -2.69065e+00 0.00000e+00 0.00000e+00 3.48184e+01 222.730 1.89500e+01 42.730  0.8622 
1 1 1 5  33 14 o 3  3.39124e+01 1.63596e+01 2.08747e+01 332.354 1.41709e+00  -7.42301e-01 0.00000e+00 0.00000e+00 2.97851e+01 332.354 8.91042e+00 332.354 0.6198 
1 1 1 5  33 15 o 12 4.20257e+01 1.90820e+01 1.09067e+01 73.774  2.31771e-01  7.96412e-01  0.00000e+00 0.00000e+00 2.81409e+01 73.774  1.72342e+01 73.774  0.3827 
1 1 1 5  33 16 o 4  4.47905e+01 1.97917e+01 2.49283e+01 282.108 4.08744e-01  -1.90526e+00 0.00000e+00 0.00000e+00 5.05979e+01 282.108 2.56695e+01 282.108 0.6892 
1 1 1 5  34 0  o 11 5.24304e+01 3.23520e+01 2.87921e+01 270.000 -5.51775e-17 -9.01118e-01 0.00000e+00 0.00000e+00 6.05549e+01 270.000 3.17627e+01 270.000 0.7168 
1 1 1 5  34 1  f 0  4.25505e+01 1.98584e+01 5.12948e+01 269.788 -1.17229e-02 -3.17488e+00 0.00000e+00 0.00000e+00 3.18866e+01 269.788 1.94082e+01 89.788  0.8221 
1 1 1 5  34 2  o 6  3.99110e+01 1.89876e+01 4.00922e+01 115.960 -1.08132e+00 2.22093e+00  0.00000e+00 0.00000e+00 3.22506e+01 115.960 7.84157e+00 295.960 0.7617 
1 1 1 5  34 3  f 0  4.80780e+01 2.14552e+01 5.09080e+01 109.736 -1.07683e+00 3.00147e+00  0.00000e+00 0.00000e+00 4.33722e+01 109.736 7.53580e+00 289.736 0.8230 
1 1 1 5  34 4  o 19 6.24101e+01 2.45781e+01 6.00769e+01 204.822 -3.61808e+00 -1.67344e+00 0.00000e+00 0.00000e+00 6.84780e+01 204.822 8.40104e+00 204.822 0.8630 
1 1 1 5  34 5  o 5  4.50207e+01 2.17108e+01 2.29384e+01 260.759 -2.19067e-01 -1.34648e+00 0.00000e+00 0.00000e+00 3.74523e+01 260.759 1.45140e+01 260.759 0.5607 
1 1 1 5  34 6  o 8  5.58999e+01 2.54923e+01 3.10771e+01 33.640  1.48591e+00  9.88746e-01  0.00000e+00 0.00000e+00 5.73046e+01 33.640  2.62274e+01 33.640  0.6591 
1 1 1 5  34 7  o 15 4.75822e+01 2.30758e+01 2.53643e+01 336.647 1.38746e+00  -5.99068e-01 0.00000e+00 0.00000e+00 4.32229e+01 336.647 1.78586e+01 336.647 0.5989 
1 1 1 5  34 8  o 4  5.16859e+01 2.58625e+01 7.35001e+00 332.424 3.46196e-01  -1.80801e-01 0.00000e+00 0.00000e+00 1.65813e+01 332.424 9.23126e+00 332.424 0.1917 
1 1 1 5  34 9  o 6  4.67458e+01 2.05693e+01 9.10217e+00 119.248 -3.26601e-01 5.83247e-01  0.00000e+00 0.00000e+00 2.68353e+01 119.248 1.77331e+01 119.248 0.3169 
1 1 1 5  34 10 o 5  4.48056e+01 2.03496e+01 3.13879e+01 320.096 1.70951e+00  -1.42957e+00 0.00000e+00 0.00000e+00 4.85650e+01 320.096 1.71772e+01 320.096 0.7319 
1 1 1 5  34 11 o 12 3.80337e+01 1.80879e+01 9.71782e+00 6.808   7.07027e-01  8.44040e-02  0.00000e+00 0.00000e+00 2.15297e+01 6.808   1.18119e+01 6.808   0.3352 
1 1 1 5  34 12 o 16 3.84059e+01 1.82357e+01 2.46801e+01 153.338 -1.63339e+00 8.20135e-01  0.00000e+00 0.00000e+00 3.85026e+01 153.338 1.38225e+01 153.338 0.6674 
1 1 1 5  34 13 o 1  4.56749e+01 2.04441e+01 8.02961e+00 216.721 -4.81021e-01 -3.58819e-01 0.00000e+00 0.00000e+00 2.45249e+01 216.721 1.64953e+01 216.721 0.2873 
1 1 1 5  35 0  o 12 3.77943e+01 2.58712e+01 3.60657e+01 270.000 -7.81752e-17 -1.27670e+00 0.00000e+00 0.00000e+00 4.36874e+01 270.000 7.62170e+00 270.000 0.8556 
1 1 1 5  35 1  o 14 4.00338e+01 1.90677e+01 1.59258e+01 90.858  -1.67700e-02 1.11914e+00  0.00000e+00 0.00000e+00 3.21763e+01 90.858  1.62505e+01 90.858  0.4871 
1 1 1 5  35 2  o 7  3.76749e+01 1.81561e+01 2.00791e+01 66.863  5.62757e-01  1.31702e+00  0.00000e+00 0.00000e+00 3.37679e+01 66.863  1.36888e+01 66.863  0.5789 
1 1 1 5  35 3  o 6  5.39479e+01 2.34111e+01 3.63556e+01 82.749  3.09880e-01  2.43553e+00  0.00000e+00 0.00000e+00 6.49983e+01 82.749  2.86426e+01 82.749  0.7600 
1 1 1 5  35 4  o 16 4.45240e+01 2.05113e+01 2.16030e+01 90.005  -1.28041e-04 1.49684e+00  0.00000e+00 0.00000e+00 4.40373e+01 90.005  2.24343e+01 90.005  0.5954 
1 1 1 5  35 5  o 7  6.10954e+01 2.75467e+01 1.35584e+01 305.837 4.54954e-01  -6.29947e-01 0.00000e+00 0.00000e+00 4.13144e+01 305.837 2.77559e+01 305.837 0.3619 
1 1 1 5  35 6  o 5  4.38206e+01 2.16105e+01 2.95286e+01 184.154 -1.82831e+00 -1.32781e-01 0.00000e+00 0.00000e+00 4.33654e+01 184.154 1.38368e+01 184.154 0.6684 
1 1 1 5  35 7  o 13 5.28579e+01 2.54274e+01 1.41225e+01 70.649  2.67802e-01  7.62553e-01  0.00000e+00 0.00000e+00 3.52849e+01 70.649  2.11624e+01 70.649  0.3743 
1 1 1 5  35 8  o 18 5.83978e+01 2.71642e+01 3.62958e+01 292.122 7.73700e-01  -1.90333e+00 0.00000e+00 0.00000e+00 6.71207e+01 292.122 3.08249e+01 292.122 0.7065 
1 1 1 5  35 9  o 14 4.67977e+01 2.08734e+01 2.40215e+01 264.214 -1.77240e-01 -1.74930e+00 0.00000e+00 0.00000e+00 5.29967e+01 264.214 2.89752e+01 264.214 0.6538 
1 1 1 5  35 10 o 2  4.50711e+01 2.05130e+01 1.99644e+01 88.349  4.16112e-02  1.44397e+00  0.00000e+00 0.00000e+00 4.63976e+01 88.349  2.64332e+01 88.349  0.5821 
1 1 1 5  36 0  o 9  3.48083e+01 2.43650e+01 2.05871e+01 270.000 6.67026e-08  -7.62989e-01 0.00000e+00 0.00000e+00 3.67282e+01 270.000 1.61411e+01 270.000 0.6428 
1 1 1 5  36 1  o 12 3.86360e+01 1.86563e+01 2.79383e+01 128.902 -1.26622e+00 1.56914e+00  0.00000e+00 0.00000e+00 4.13976e+01 128.902 1.34593e+01 128.902 0.7004 
1 1 1 5  36 2  o 12 3.88295e+01 1.86865e+01 1.42146e+01 94.681  -8.38488e-02 1.02402e+00  0.00000e+00 0.00000e+00 3.11884e+01 94.681  1.69738e+01 94.681  0.4560 
1 1 1 5  36 3  o 14 3.61060e+01 1.77466e+01 2.89584e+01 314.973 1.49618e+00  -1.49757e+00 0.00000e+00 0.00000e+00 3.74172e+01 314.973 8.45884e+00 314.973 0.7161 
1 1 1 5  36 4  o 14 3.49272e+01 1.71405e+01 1.77322e+01 333.005 1.18183e+00  -6.02047e-01 0.00000e+00 0.00000e+00 3.16889e+01 333.005 1.39567e+01 333.005 0.5502 
1 1 1 5  36 5  o 12 3.98698e+01 1.91265e+01 6.55550e+00 14.340  4.51513e-01  1.15423e-01  0.00000e+00 0.00000e+00 1.67644e+01 14.340  1.02089e+01 14.340  0.2269 
1 1 1 6  0  2  o 7  6.34380e+02 3.08233e+01 1.82978e+02 180.000 -1.40364e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.18601e+02 180.000 3.35624e+02 180.000 0.8861 
1 1 1 6  0  3  o 17 1.31728e+03 3.94773e+01 5.85018e+02 90.000  5.49497e-16  8.97397e+00  0.00000e+00 0.00000e+00 1.06107e+03 90.000  4.76047e+02 90.000  1.0000 
1 1 1 6  0  4  o 17 4.80378e+01 2.27859e+01 1.95244e+02 180.000 -1.05242e-01 -0.00000e+00 0.00000e+00 0.00000e+00 1.88938e+02 0.000   3.84182e+02 0.000   0.1049 
1 1 1 6  0  5  o 15 8.77902e+02 3.92531e+01 6.76864e+02 270.000 -4.21243e-16 -6.87943e+00 0.00000e+00 0.00000e+00 4.24603e+02 270.000 2.52262e+02 90.000  1.0000 
1 1 1 6  0  6  f 0  8.10871e+02 3.68829e+01 3.35804e+02 180.000 -2.96785e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.79010e+02 180.000 3.43206e+02 180.000 0.9947 
1 1 1 6  0  7  o 10 1.12749e+03 3.42145e+01 5.42419e+02 90.000  -1.00556e-06 1.15023e+01  0.00000e+00 0.00000e+00 8.80782e+02 90.000  3.38363e+02 90.000  1.0000 
1 1 1 6  0  8  o 2  8.21154e+02 2.64339e+01 6.20044e+02 0.000   1.26835e+01  0.00000e+00  0.00000e+00 0.00000e+00 4.20408e+02 0.000   1.99635e+02 180.000 1.0000 
1 1 1 6  0  9  f 0  1.48249e+02 1.46665e+01 3.58428e+02 270.000 -7.57960e-17 -1.23784e+00 0.00000e+00 0.00000e+00 1.99052e+02 90.000  5.57480e+02 90.000  0.8448 
1 1 1 6  0  10 o 16 7.13660e+02 2.37471e+01 5.92590e+02 180.000 -1.08611e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.19907e+02 180.000 2.72684e+02 0.000   1.0000 
1 1 1 6  0  11 o 11 2.70190e+02 1.52500e+01 2.73074e+02 270.000 -1.54977e-16 -2.53097e+00 0.00000e+00 0.00000e+00 6.98582e+01 270.000 2.03216e+02 90.000  0.9874 
1 1 1 6  0  12 o 9  5.14464e+02 1.94330e+01 3.16600e+02 0.000   7.14249e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.48540e+02 0.000   3.19405e+01 0.000   1.0000 
1 1 1 6  0  13 o 12 2.16717e+02 1.57136e+01 1.00245e+02 90.000  -8.35003e-08 9.55132e-01  0.00000e+00 0.00000e+00 1.08998e+02 90.000  8.75318e+00 90.000  0.7421 
1 1 1 6  0  14 o 17 5.70008e+02 2.09133e+01 3.56796e+02 0.000   8.56613e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.89885e+02 0.000   3.30884e+01 0.000   1.0000 
1 1 1 6  0  15 o 2  5.63721e+02 2.09418e+01 3.90332e+02 270.000 -6.70433e-16 -1.09490e+01 0.00000e+00 0.00000e+00 3.53534e+02 270.000 3.67979e+01 90.000  1.0000 
1 1 1 6  0  16 f 0  1.81560e+02 1.83372e+01 3.87651e+01 180.000 -4.23003e-01 -0.00000e+00 0.00000e+00 0.00000e+00 5.76875e+01 180.000 1.89225e+01 180.000 0.3995 
1 1 1 6  0  17 f 0  3.16230e+02 1.79811e+01 1.99855e+02 90.000  -4.27450e-07 4.88946e+00  0.00000e+00 0.00000e+00 2.24171e+02 90.000  2.43155e+01 90.000  0.9999 
1 1 1 6  0  18 o 6  4.84286e+02 2.04116e+01 1.97967e+02 180.000 -7.36129e+00 -0.00000e+00 0.00000e+00 0.00000e+00 4.57234e+02 180.000 2.59267e+02 180.000 1.0000 
1 1 1 6  0  19 o 5  9.92286e+01 4.91501e+01 1.13795e+02 90.000  -7.87944e-08 9.01303e-01  0.00000e+00 0.00000e+00 1.66456e+01 270.000 1.30440e+02 270.000 0.7169 
1 1 1 6  0  22 o 15 2.89903e+02 3.04559e+01 1.61609e+02 0.000   4.69819e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.46688e+02 0.000   8.50783e+01 0.000   0.9998 
1 1 1 6  0  23 o 4  5.23705e+02 2.44384e+01 2.36763e+02 270.000 -6.08486e-16 -9.93734e+00 0.00000e+00 0.00000e+00 5.09361e+02 270.000 2.72598e+02 270.000 1.0000 
1 1 1 6  0  24 o 8  2.29486e+02 2.94523e+01 4.77402e+01 180.000 -1.03711e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.09243e+02 180.000 1.61503e+02 180.000 0.7767 
1 1 1 6  0  25 o 12 2.42238e+02 3.01284e+01 1.33421e+02 90.000  1.91802e-16  3.13236e+00  0.00000e+00 0.00000e+00 2.18809e+02 90.000  8.53875e+01 90.000  0.9962 
1 1 1 6  0  26 o 15 1.56467e+02 4.54044e+01 4.20894e+01 180.000 -8.44451e-01 -0.00000e+00 0.00000e+00 0.00000e+00 1.17107e+02 180.000 7.50177e+01 180.000 0.6882 
1 1 1 6  0  27 o 5  1.75954e+02 7.04799e+01 8.87627e+00 90.000  1.07019e-17  1.74776e-01  0.00000e+00 0.00000e+00 3.67395e+01 90.000  2.78632e+01 90.000  0.1730 
1 1 1 6  0  28 o 4  5.19540e+01 3.42597e+01 1.82022e+01 180.000 -1.93123e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.14474e+00 0.000   2.13469e+01 0.000   0.1908 
1 1 1 6  0  29 o 13 1.59095e+02 4.02112e+01 9.15155e+01 90.000  1.70417e-16  2.78311e+00  0.00000e+00 0.00000e+00 1.51833e+02 90.000  6.03174e+01 90.000  0.9924 
1 1 1 6  0  30 f 0  6.32365e+01 3.77493e+01 9.78760e+00 180.000 -1.60942e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.99814e+00 180.000 3.78946e+00 0.000   0.1596 
1 1 1 6  0  31 o 18 4.63221e+01 3.10565e+01 6.68797e+00 90.000  6.40479e-18  1.04598e-01  0.00000e+00 0.00000e+00 9.81544e-01 90.000  5.70642e+00 270.000 0.1042 
1 1 1 6  0  32 o 5  8.21017e+01 5.31258e+01 1.92825e+01 180.000 -3.94817e-01 -0.00000e+00 0.00000e+00 0.00000e+00 3.04802e+01 180.000 1.11977e+01 180.000 0.3755 
1 1 1 6  0  33 o 19 3.42934e+01 2.46869e+01 2.66183e+01 270.000 -3.15500e-17 -5.15251e-01 0.00000e+00 0.00000e+00 5.43512e-02 270.000 2.65640e+01 90.000  0.4740 
1 1 1 6  0  34 o 12 5.86034e+01 3.77552e+01 3.61380e+01 0.000   9.92433e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.80292e+01 0.000   1.89122e+00 0.000   0.7584 
1 1 1 6  0  35 f 0  4.57065e+01 3.22801e+01 5.41661e+01 270.000 1.27406e-07  -1.45736e+00 0.00000e+00 0.00000e+00 1.54621e+01 270.000 3.87040e+01 90.000  0.8971 
1 1 1 6  0  36 o 17 6.30894e+01 4.14997e+01 1.69997e+01 0.000   5.12831e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.44946e+01 0.000   1.74949e+01 0.000   0.4721 
1 1 1 6  0  37 f 0  5.97371e+01 4.08337e+01 5.99115e+00 90.000  1.13939e-17  1.86076e-01  0.00000e+00 0.00000e+00 1.33589e+01 90.000  7.36772e+00 90.000  0.1840 
1 1 1 6  0  38 o 4  5.97546e+01 4.09239e+01 3.33854e+00 0.000   1.10663e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.47929e+00 0.000   5.14075e+00 0.000   0.1102 
1 1 1 6  1  2  o 5  4.98104e+02 1.52185e+01 2.21590e+02 110.043 -9.11306e-01 2.49799e+00  0.00000e+00 0.00000e+00 2.64329e+02 110.043 4.27387e+01 110.043 0.7812 
1 1 1 6  1  3  o 19 3.12757e+02 1.06694e+01 4.53643e+01 18.005  3.15025e-01  1.02386e-01  0.00000e+00 0.00000e+00 1.85273e+01 18.005  2.68370e+01 198.005 0.1634 
1 1 1 6  1  4  o 8  6.07184e+02 1.71824e+01 3.66928e+02 333.578 4.44461e+00  -2.20847e+00 0.00000e+00 0.00000e+00 3.11822e+02 333.578 5.51059e+01 153.578 0.8925 
1 1 1 6  1  5  o 10 1.17719e+03 3.53581e+01 6.89450e+02 276.676 2.15569e+00  -1.84180e+01 0.00000e+00 0.00000e+00 7.47896e+02 276.676 5.84458e+01 276.676 0.9727 
1 1 1 6  1  6  o 14 7.53504e+02 2.44965e+01 4.96519e+02 179.329 -8.11536e+00 9.49779e-02  0.00000e+00 0.00000e+00 3.91487e+02 179.329 1.05032e+02 359.329 0.9362 
1 1 1 6  1  7  o 8  1.48235e+03 3.56527e+01 1.12043e+03 93.474  -3.70457e+00 6.10313e+01  0.00000e+00 0.00000e+00 7.36327e+02 93.474  3.84103e+02 273.474 0.9918 
1 1 1 6  1  8  f 0  2.23253e+02 9.98447e+00 8.73363e+01 324.260 7.90760e-01  -5.69058e-01 0.00000e+00 0.00000e+00 3.63981e+01 324.260 5.09382e+01 144.260 0.4372 
1 1 1 6  1  9  o 5  7.63093e+02 1.75015e+01 4.51071e+02 228.923 -1.24603e+01 -1.42952e+01 0.00000e+00 0.00000e+00 4.94512e+02 228.923 4.34405e+01 228.923 0.9733 
1 1 1 6  1  10 o 1  3.17948e+02 1.10139e+01 3.59921e+02 74.794  1.54346e+00  5.67860e+00  0.00000e+00 0.00000e+00 1.04363e+01 74.794  3.49484e+02 254.794 0.9105 
1 1 1 6  1  11 f 0  9.61818e+02 2.10792e+01 5.46717e+02 262.426 -4.66976e+00 -3.51217e+01 0.00000e+00 0.00000e+00 6.72685e+02 262.426 1.25968e+02 262.426 0.9858 
1 1 1 6  1  12 o 16 3.44371e+02 1.15241e+01 8.20049e+01 316.539 1.79740e+00  -1.70337e+00 0.00000e+00 0.00000e+00 2.57618e+02 316.539 1.75613e+02 316.539 0.7624 
1 1 1 6  1  13 o 17 5.15853e+02 1.38038e+01 2.53819e+02 64.230  4.97125e+00  1.02973e+01  0.00000e+00 0.00000e+00 3.87622e+02 64.230  1.33803e+02 64.230  0.9552 
1 1 1 6  1  14 o 3  2.64163e+02 1.12895e+01 2.14210e+02 198.889 -4.52059e+00 -1.54675e+00 0.00000e+00 0.00000e+00 9.32243e+01 198.889 1.20986e+02 18.889  0.8880 
1 1 1 6  1  15 o 3  2.58248e+02 1.17197e+01 3.90546e+01 159.816 -9.44876e-01 3.47348e-01  0.00000e+00 0.00000e+00 1.13952e+02 159.816 7.48978e+01 159.816 0.4488 
1 1 1 6  1  16 o 18 2.85585e+02 1.21925e+01 8.00561e+01 198.808 -2.59982e+00 -8.85465e-01 0.00000e+00 0.00000e+00 2.19900e+02 198.808 1.39844e+02 198.808 0.7893 
1 1 1 6  1  17 o 1  3.10471e+02 1.26751e+01 1.45380e+02 251.864 -2.16991e+00 -6.62473e+00 0.00000e+00 0.00000e+00 2.40036e+02 251.864 9.46559e+01 251.864 0.9252 
1 1 1 6  1  18 o 8  8.42228e+01 2.12774e+01 6.84381e+01 326.201 7.16113e-01  -4.79369e-01 0.00000e+00 0.00000e+00 2.33745e+01 146.201 9.18126e+01 146.201 0.3953 
1 1 1 6  1  20 o 14 1.61429e+02 1.87643e+01 1.43040e+02 177.129 -4.38050e+00 2.19695e-01  0.00000e+00 0.00000e+00 5.22807e+01 177.129 9.07598e+01 357.129 0.8769 
1 1 1 6  1  21 f 0  8.19247e+01 2.70533e+01 3.38540e+01 221.651 -4.44687e-01 -3.95517e-01 0.00000e+00 0.00000e+00 1.28785e+00 41.651  3.51418e+01 41.651  0.2851 
1 1 1 6  1  22 o 3  5.71581e+02 2.29704e+01 2.41328e+02 286.466 7.76292e+00  -2.62637e+01 0.00000e+00 0.00000e+00 5.49398e+02 286.466 3.08070e+02 286.466 0.9816 
1 1 1 6  1  23 o 8  1.29947e+02 2.80598e+01 7.44921e+01 340.153 1.38091e+00  -4.98429e-01 0.00000e+00 0.00000e+00 3.44533e+01 340.153 4.00388e+01 160.153 0.5882 
1 1 1 6  1  24 o 3  2.03514e+02 2.12308e+01 6.06528e+01 167.192 -2.27152e+00 5.16400e-01  0.00000e+00 0.00000e+00 1.58080e+02 167.192 9.74272e+01 167.192 0.7451 
1 1 1 6  1  25 o 3  1.30583e+02 2.93714e+01 2.86550e+01 104.474 -1.71236e-01 6.63364e-01  0.00000e+00 0.00000e+00 3.31153e+01 104.474 4.46030e+00 104.474 0.3239 
1 1 1 6  1  26 o 4  2.41237e+02 3.92522e+01 1.03824e+02 75.590  1.45659e+00  5.66887e+00  0.00000e+00 0.00000e+00 2.20923e+02 75.590  1.17099e+02 75.590  0.9100 
1 1 1 6  1  27 o 7  1.83328e+02 2.48969e+01 5.28677e+01 223.535 -2.28604e+00 -2.17203e+00 0.00000e+00 0.00000e+00 1.72701e+02 223.535 1.19833e+02 223.535 0.8207 
1 1 1 6  1  28 o 14 6.89765e+01 2.90040e+01 4.52532e+01 346.869 1.22845e+00  -2.86569e-01 0.00000e+00 0.00000e+00 1.04659e+01 346.869 3.47873e+01 166.869 0.5314 
1 1 1 6  1  29 o 2  3.99341e+01 1.97914e+01 6.00004e+01 15.056  1.00790e+00  2.71127e-01  0.00000e+00 0.00000e+00 3.15689e+01 195.056 9.15693e+01 195.056 0.4617 
1 1 1 6  1  30 f 0  1.14317e+02 2.99996e+01 5.06141e+01 345.735 2.70843e+00  -6.88631e-01 0.00000e+00 0.00000e+00 9.13854e+01 345.735 4.07713e+01 345.735 0.7936 
1 1 1 6  1  31 o 12 1.11249e+02 2.80978e+01 3.29848e+01 112.549 -8.15436e-01 1.96384e+00  0.00000e+00 0.00000e+00 9.38888e+01 112.549 6.09040e+01 112.549 0.7175 
1 1 1 6  1  32 o 19 8.26520e+01 3.81620e+01 1.92240e+01 274.688 6.35814e-02  -7.75420e-01 0.00000e+00 0.00000e+00 2.91319e+01 274.688 9.90790e+00 274.688 0.3623 
1 1 1 6  1  33 o 7  5.91386e+01 2.62662e+01 2.55451e+01 298.805 6.05426e-01  -1.10104e+00 0.00000e+00 0.00000e+00 2.59045e+01 298.805 3.59429e-01 298.805 0.5299 
1 1 1 6  1  34 o 8  5.63468e+01 2.63131e+01 4.72126e+01 140.956 -1.96699e+00 1.59533e+00  0.00000e+00 0.00000e+00 2.50869e+01 140.956 2.21257e+01 320.956 0.7685 
1 1 1 6  1  35 o 13 6.16426e+01 2.85757e+01 1.04395e+01 72.655  1.74289e-01  5.58020e-01  0.00000e+00 0.00000e+00 1.89352e+01 72.655  8.49568e+00 72.655  0.2805 
1 1 1 6  1  36 f 0  7.78149e+01 3.37524e+01 2.18514e+01 191.178 -1.29651e+00 -2.56196e-01 0.00000e+00 0.00000e+00 5.20171e+01 191.178 3.01657e+01 191.178 0.5488 
1 1 1 6  1  37 o 11 7.12442e+01 3.25974e+01 2.21028e+01 269.053 -2.35317e-02 -1.42414e+00 0.00000e+00 0.00000e+00 5.03030e+01 269.053 2.82002e+01 269.053 0.5769 
1 1 1 6  1  38 o 19 6.89858e+01 3.21480e+01 6.73865e+00 311.031 2.83141e-01  -3.25360e-01 0.00000e+00 0.00000e+00 1.93695e+01 311.031 1.26308e+01 311.031 0.2108 
1 1 1 6  2  1  o 5  7.75564e+02 3.55488e+01 3.47566e+02 191.643 -6.24857e+00 -1.28748e+00 0.00000e+00 0.00000e+00 5.42105e+02 191.643 1.94539e+02 191.643 0.9179 
1 1 1 6  2  2  o 18 1.50106e+03 3.62829e+01 1.01076e+03 165.773 -3.41042e+01 8.64680e+00  0.00000e+00 0.00000e+00 8.39741e+02 165.773 1.71018e+02 345.773 0.9857 
1 1 1 6  2  3  o 8  2.78335e+02 1.19146e+01 4.78794e+01 214.266 -2.51565e-01 -1.71389e-01 0.00000e+00 0.00000e+00 4.56502e+00 214.266 4.33144e+01 34.266  0.1505 
1 1 1 6  2  4  o 11 1.40308e+03 3.38374e+01 1.10773e+03 350.176 3.30440e+01  -5.72215e+00 0.00000e+00 0.00000e+00 6.25969e+02 350.176 4.81763e+02 170.176 0.9850 
1 1 1 6  2  5  o 13 5.67311e+02 2.00968e+01 3.51309e+02 337.151 4.16773e+00  -1.75613e+00 0.00000e+00 0.00000e+00 2.77104e+02 337.151 7.42050e+01 157.151 0.8810 
1 1 1 6  2  6  o 15 7.96220e+02 2.08067e+01 5.63584e+02 173.676 -9.52717e+00 1.05590e+00  0.00000e+00 0.00000e+00 3.86412e+02 173.676 1.77172e+02 353.676 0.9463 
1 1 1 6  2  7  o 4  8.46399e+02 2.20211e+01 5.79216e+02 172.374 -1.79287e+01 2.40045e+00  0.00000e+00 0.00000e+00 4.61425e+02 172.374 1.17791e+02 352.374 0.9720 
1 1 1 6  2  8  o 19 3.38194e+02 1.11066e+01 1.96108e+02 115.414 -1.40006e+00 2.94666e+00  0.00000e+00 0.00000e+00 1.59309e+02 115.414 3.67994e+01 295.414 0.8277 
1 1 1 6  2  9  o 15 5.57425e+02 1.41479e+01 3.34100e+02 318.982 7.66616e+00  -6.66831e+00 0.00000e+00 0.00000e+00 3.40797e+02 318.982 6.69712e+00 318.982 0.9494 
1 1 1 6  2  10 o 17 7.35482e+02 1.97418e+01 5.23502e+02 320.108 1.80914e+01  -1.51222e+01 0.00000e+00 0.00000e+00 3.98699e+02 320.108 1.24803e+02 140.109 0.9786 
1 1 1 6  2  11 o 5  6.54766e+02 1.57792e+01 2.61093e+02 292.880 4.46709e+00  -1.05855e+01 0.00000e+00 0.00000e+00 5.44760e+02 292.880 2.83667e+02 292.880 0.9554 
1 1 1 6  2  12 o 4  5.54721e+02 1.42881e+01 4.52014e+02 149.203 -1.86245e+01 1.11011e+01  0.00000e+00 0.00000e+00 2.49931e+02 149.203 2.02082e+02 329.203 0.9767 
1 1 1 6  2  13 o 17 2.16186e+02 1.09444e+01 2.75064e+02 322.220 4.08419e+00  -3.16574e+00 0.00000e+00 0.00000e+00 2.21902e+01 142.220 2.97254e+02 142.220 0.8971 
1 1 1 6  2  14 o 2  3.47796e+02 1.19249e+01 1.35973e+02 66.775  2.10271e+00  4.89998e+00  0.00000e+00 0.00000e+00 2.75191e+02 66.775  1.39218e+02 66.775  0.9006 
1 1 1 6  2  15 o 16 5.29365e+02 1.42985e+01 4.37887e+02 119.585 -1.12910e+01 1.98875e+01  0.00000e+00 0.00000e+00 2.46654e+02 119.585 1.91234e+02 299.585 0.9779 
1 1 1 6  2  16 f 0  3.99183e+02 1.28876e+01 1.96933e+02 358.513 1.13327e+01  -2.94271e-01 0.00000e+00 0.00000e+00 3.11047e+02 358.513 1.14114e+02 358.513 0.9548 
1 1 1 6  2  17 o 18 3.06342e+01 1.47594e+01 7.62460e+01 150.512 -3.10358e-01 1.75509e-01  0.00000e+00 0.00000e+00 6.90209e+01 330.512 1.45267e+02 330.512 0.1755 
1 1 1 6  2  18 o 10 1.50723e+02 1.86595e+01 1.02228e+02 21.219  2.15919e+00  8.38318e-01  0.00000e+00 0.00000e+00 4.96941e+01 21.219  5.25340e+01 201.219 0.7434 
1 1 1 6  2  19 o 9  2.48354e+02 1.43291e+01 1.51698e+02 278.743 1.02001e+00  -6.63233e+00 0.00000e+00 0.00000e+00 1.61719e+02 278.743 1.00214e+01 278.743 0.9221 
1 1 1 6  2  21 o 2  3.16915e+02 1.71727e+01 1.09176e+02 46.875  5.40989e+00  5.77613e+00  0.00000e+00 0.00000e+00 3.04381e+02 46.875  1.95206e+02 46.875  0.9345 
1 1 1 6  2  22 o 11 2.37673e+02 1.81551e+01 1.50894e+02 352.832 7.24172e+00  -9.10743e-01 0.00000e+00 0.00000e+00 1.60700e+02 352.832 9.80599e+00 352.832 0.9287 
1 1 1 6  2  23 o 10 2.26636e+02 2.03990e+01 1.19537e+02 198.687 -4.46099e+00 -1.50883e+00 0.00000e+00 0.00000e+00 1.67208e+02 198.687 4.76708e+01 198.687 0.8862 
1 1 1 6  2  24 o 15 3.31932e+02 1.75978e+01 1.68567e+02 5.301   1.06908e+01  9.92008e-01  0.00000e+00 0.00000e+00 2.88086e+02 5.301   1.19519e+02 5.301   0.9522 
1 1 1 6  2  25 o 19 4.14181e+02 4.35861e+01 2.07921e+02 244.148 -7.00291e+00 -1.44525e+01 0.00000e+00 0.00000e+00 3.78737e+02 244.148 1.70816e+02 244.148 0.9683 
1 1 1 6  2  27 o 15 1.08341e+02 3.29395e+01 1.39195e+02 93.784  -2.90244e-01 4.38890e+00  0.00000e+00 0.00000e+00 3.52347e+00 93.784  1.35672e+02 273.784 0.8773 
1 1 1 6  2  28 o 2  9.07495e+01 3.07904e+01 3.89283e+01 33.739  1.14758e+00  7.66467e-01  0.00000e+00 0.00000e+00 3.91447e+01 33.739  2.16371e-01 33.739  0.5650 
1 1 1 6  2  29 o 1  7.93191e+01 2.98069e+01 6.26272e+01 341.008 2.09435e+00  -7.20797e-01 0.00000e+00 0.00000e+00 2.68216e+01 341.008 3.58055e+01 161.008 0.7301 
1 1 1 6  2  30 o 19 1.23715e+02 2.83123e+01 5.77249e+01 272.931 1.89499e-01  -3.70054e+00 0.00000e+00 0.00000e+00 1.07362e+02 272.931 4.96370e+01 272.931 0.8512 
1 1 1 6  2  31 o 17 1.14443e+02 3.30252e+01 8.11594e+01 238.369 -2.47561e+00 -4.01920e+00 0.00000e+00 0.00000e+00 8.03564e+01 238.369 8.03060e-01 58.369  0.8865 
1 1 1 6  2  32 o 12 6.53521e+01 2.75290e+01 9.71162e+00 36.483  3.44800e-01  2.54983e-01  0.00000e+00 0.00000e+00 1.24494e+01 36.483  2.73776e+00 36.483  0.2096 
1 1 1 6  2  33 f 0  7.52530e+01 3.25148e+01 3.35000e+01 342.810 1.59954e+00  -4.94840e-01 0.00000e+00 0.00000e+00 4.52433e+01 342.810 1.17433e+01 342.810 0.6364 
1 1 1 6  2  34 f 0  5.63816e+01 2.62352e+01 4.91445e+01 342.619 2.52272e+00  -7.89669e-01 0.00000e+00 0.00000e+00 2.43752e+01 342.619 2.47693e+01 162.619 0.7797 
1 1 1 6  2  35 o 1  4.19185e+01 2.09890e+01 3.71855e+01 113.418 -7.92072e-01 1.82877e+00  0.00000e+00 0.00000e+00 1.25046e+01 113.418 2.46809e+01 293.418 0.6966 
1 1 1 6  2  36 o 8  5.64003e+01 2.71937e+01 2.60885e+01 131.683 -1.03868e+00 1.16648e+00  0.00000e+00 0.00000e+00 3.36178e+01 131.683 7.52929e+00 131.683 0.6111 
1 1 1 6  2  37 o 15 4.81594e+01 2.41245e+01 1.23100e+01 35.084  7.10213e-01  4.98854e-01  0.00000e+00 0.00000e+00 2.14817e+01 35.084  9.17163e+00 35.084  0.3976 
1 1 1 6  2  38 o 15 5.50394e+01 2.71292e+01 1.67551e+01 211.161 -1.00026e+00 -6.04851e-01 0.00000e+00 0.00000e+00 3.30350e+01 211.161 1.62798e+01 211.161 0.5030 
1 1 1 6  3  0  o 17 1.54161e+03 6.51097e+01 1.22405e+03 0.000   2.14112e+01  0.00000e+00  0.00000e+00 0.00000e+00 7.07233e+02 0.000   5.16819e+02 180.000 1.0000 
1 1 1 6  3  1  o 19 6.27184e+02 3.04465e+01 3.70751e+02 166.981 -5.19651e+00 1.20149e+00  0.00000e+00 0.00000e+00 3.37034e+02 166.981 3.37170e+01 346.981 0.9006 
1 1 1 6  3  2  o 8  1.59365e+03 4.68650e+01 1.09746e+03 228.902 -2.54211e+01 -2.91431e+01 0.00000e+00 0.00000e+00 8.75027e+02 228.902 2.22436e+02 48.902  0.9870 
1 1 1 6  3  3  o 4  1.99694e+02 1.12023e+01 1.49969e+02 245.280 -2.76402e-01 -6.00399e-01 0.00000e+00 0.00000e+00 7.13226e+01 65.280  2.21292e+02 65.280  0.3137 
1 1 1 6  3  4  o 15 1.20162e+03 2.94650e+01 9.41495e+02 97.668  -3.47020e+00 2.57752e+01  0.00000e+00 0.00000e+00 5.40605e+02 97.668  4.00890e+02 277.668 0.9806 
1 1 1 6  3  5  o 6  2.09056e+02 1.12848e+01 2.59544e+02 31.327  1.02381e+00  6.23157e-01  0.00000e+00 0.00000e+00 1.24515e+02 211.327 3.84059e+02 211.327 0.5123 
1 1 1 6  3  6  o 3  5.72224e+02 1.65069e+01 2.83662e+02 81.663  9.05825e-01  6.18094e+00  0.00000e+00 0.00000e+00 3.79000e+02 81.663  9.53377e+01 81.663  0.9160 
1 1 1 6  3  7  o 6  7.40623e+02 2.41758e+01 3.34317e+02 210.794 -7.62706e+00 -4.54555e+00 0.00000e+00 0.00000e+00 5.50455e+02 210.794 2.16137e+02 210.794 0.9419 
1 1 1 6  3  8  o 10 8.47125e+02 1.89713e+01 5.28278e+02 207.608 -1.89032e+01 -9.88557e+00 0.00000e+00 0.00000e+00 5.24653e+02 207.608 3.62441e+00 27.608  0.9763 
1 1 1 6  3  9  o 6  4.72136e+02 1.28895e+01 1.78650e+02 335.699 4.10770e+00  -1.85480e+00 0.00000e+00 0.00000e+00 3.52917e+02 335.699 1.74267e+02 335.699 0.8805 
1 1 1 6  3  10 o 10 7.77422e+01 1.19679e+01 9.38752e+01 261.090 -6.85168e-02 -4.37052e-01 0.00000e+00 0.00000e+00 7.23055e+01 81.090  1.66181e+02 81.090  0.2160 
1 1 1 6  3  11 o 6  2.78300e+02 1.07787e+01 1.83548e+02 201.946 -3.14518e+00 -1.26729e+00 0.00000e+00 0.00000e+00 1.16663e+02 201.946 6.68851e+01 21.946  0.8352 
1 1 1 6  3  12 o 13 5.40638e+02 1.40666e+01 2.91942e+02 231.097 -8.43608e+00 -1.04537e+01 0.00000e+00 0.00000e+00 3.83730e+02 231.097 9.17880e+01 231.097 0.9620 
1 1 1 6  3  13 o 13 1.91424e+02 1.27938e+01 1.77166e+02 236.078 -1.67463e+00 -2.49004e+00 0.00000e+00 0.00000e+00 2.55488e+01 236.078 1.51617e+02 56.078  0.8100 
1 1 1 6  3  14 o 18 4.70432e+02 1.33667e+01 2.90908e+02 41.222  1.14233e+01  1.00082e+01  0.00000e+00 0.00000e+00 3.07552e+02 41.222  1.66441e+01 41.222  0.9665 
1 1 1 6  3  15 o 5  3.93324e+01 1.63129e+01 9.27232e+01 12.433  3.45848e-01  7.62454e-02  0.00000e+00 0.00000e+00 8.36303e+01 192.433 1.76353e+02 192.433 0.1744 
1 1 1 6  3  16 o 17 8.31263e+01 1.88582e+01 1.37341e+02 44.974  1.13195e+00  1.13092e+00  0.00000e+00 0.00000e+00 6.84784e+01 224.974 2.05819e+02 224.974 0.6199 
1 1 1 6  3  17 o 1  1.46469e+02 1.52327e+01 8.08597e+01 153.694 -1.33234e+00 6.58659e-01  0.00000e+00 0.00000e+00 3.61211e+01 153.694 4.47386e+01 333.694 0.5927 
1 1 1 6  3  18 o 3  1.53765e+02 1.91496e+01 1.46763e+02 250.805 -1.10387e+00 -3.17073e+00 0.00000e+00 0.00000e+00 2.74218e+01 250.805 1.19341e+02 70.805  0.8333 
1 1 1 6  3  19 o 14 3.60623e+02 1.40018e+01 1.14202e+02 283.953 1.75722e+00  -7.07229e+00 0.00000e+00 0.00000e+00 3.45307e+02 283.953 2.31104e+02 283.953 0.9286 
1 1 1 6  3  20 o 12 1.12967e+02 2.89039e+01 4.09024e+01 239.325 -4.16652e-01 -7.02432e-01 0.00000e+00 0.00000e+00 1.82237e+01 239.325 2.26787e+01 59.325  0.3777 
1 1 1 6  3  21 o 10 1.89630e+02 2.07147e+01 9.78274e+01 285.725 1.11903e+00  -3.97448e+00 0.00000e+00 0.00000e+00 1.32714e+02 285.725 3.48865e+01 285.725 0.8683 
1 1 1 6  3  22 o 11 2.94063e+02 1.68092e+01 1.12448e+02 158.886 -6.77341e+00 2.61557e+00  0.00000e+00 0.00000e+00 2.73941e+02 158.886 1.61493e+02 158.886 0.9283 
1 1 1 6  3  23 o 6  2.85950e+02 1.90891e+01 1.18840e+02 106.526 -1.68268e+00 5.67123e+00  0.00000e+00 0.00000e+00 2.54091e+02 106.526 1.35251e+02 106.526 0.9110 
1 1 1 6  3  24 o 4  1.36796e+02 2.82207e+01 5.15143e+01 99.052  -1.98438e-01 1.24555e+00  0.00000e+00 0.00000e+00 5.37797e+01 99.052  2.26540e+00 99.052  0.5313 
1 1 1 6  3  25 o 10 3.08972e+02 1.83280e+01 9.84412e+01 88.877  1.40737e-01  7.18002e+00  0.00000e+00 0.00000e+00 3.21856e+02 88.877  2.23415e+02 88.877  0.9275 
1 1 1 6  3  26 o 12 7.81526e+01 3.15271e+01 2.23074e+01 169.770 -4.40357e-01 7.94689e-02  0.00000e+00 0.00000e+00 3.04009e+00 169.770 1.92673e+01 349.770 0.2183 
1 1 1 6  3  27 o 19 8.93728e+01 3.25737e+01 4.46495e+01 4.633   1.16264e+00  9.42167e-02  0.00000e+00 0.00000e+00 2.29358e+01 4.633   2.17137e+01 184.633 0.5023 
1 1 1 6  3  28 o 15 6.59951e+01 2.84966e+01 6.20431e+01 47.566  1.12163e+00  1.22687e+00  0.00000e+00 0.00000e+00 1.80956e+00 47.566  6.02335e+01 227.566 0.6338 
1 1 1 6  3  29 o 1  1.92837e+02 2.13652e+01 1.12914e+02 282.069 2.37880e+00  -1.11255e+01 0.00000e+00 0.00000e+00 1.72296e+02 282.069 5.93824e+01 282.069 0.9550 
1 1 1 6  3  30 o 8  1.10739e+02 2.90821e+01 7.44028e+01 158.123 -3.88822e+00 1.56121e+00  0.00000e+00 0.00000e+00 7.71215e+01 158.123 2.71873e+00 158.123 0.8704 
1 1 1 6  3  31 o 13 8.83981e+01 3.22229e+01 6.94090e+01 129.517 -2.02270e+00 2.45228e+00  0.00000e+00 0.00000e+00 4.66387e+01 129.517 2.27704e+01 309.517 0.8224 
1 1 1 6  3  32 o 11 9.78437e+01 3.03943e+01 5.05283e+01 278.413 4.47199e-01  -3.02356e+00 0.00000e+00 0.00000e+00 7.86576e+01 278.413 2.81294e+01 278.413 0.8141 
1 1 1 6  3  33 o 14 7.72009e+01 3.30875e+01 3.03596e+01 180.694 -1.63233e+00 -1.97774e-02 0.00000e+00 0.00000e+00 4.94716e+01 180.694 1.91119e+01 180.694 0.6272 
1 1 1 6  3  34 o 5  4.52263e+01 2.22792e+01 2.66709e+01 29.219  1.18377e+00  6.62114e-01  0.00000e+00 0.00000e+00 1.56877e+01 29.219  1.09832e+01 209.219 0.5586 
1 1 1 6  3  35 o 12 6.20470e+01 2.84359e+01 1.39803e+01 302.144 4.47373e-01  -7.11970e-01 0.00000e+00 0.00000e+00 2.70082e+01 302.144 1.30279e+01 302.144 0.3872 
1 1 1 6  3  36 o 10 5.48261e+01 2.67071e+01 3.40174e+01 323.626 1.63017e+00  -1.20073e+00 0.00000e+00 0.00000e+00 3.28165e+01 323.626 1.20087e+00 143.626 0.7018 
1 1 1 6  3  37 o 4  5.32268e+01 2.61378e+01 2.47955e+01 9.643   1.68097e+00  2.85618e-01  0.00000e+00 0.00000e+00 3.57486e+01 9.643   1.09532e+01 9.643   0.6429 
1 1 1 6  3  38 o 4  4.83485e+01 2.42769e+01 2.77880e+01 153.683 -1.82869e+00 9.04475e-01  0.00000e+00 0.00000e+00 3.36069e+01 153.683 5.81888e+00 153.683 0.7043 
1 1 1 6  4  0  o 17 7.95762e+02 3.64028e+01 7.16182e+02 180.000 -6.28868e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.84447e+02 180.000 4.31735e+02 0.000   1.0000 
1 1 1 6  4  1  o 8  1.18227e+03 3.56095e+01 7.71123e+02 3.530   1.97949e+01  1.22096e+00  0.00000e+00 0.00000e+00 6.77918e+02 3.530   9.32045e+01 183.530 0.9745 
1 1 1 6  4  2  o 11 9.39674e+02 2.91972e+01 5.69523e+02 346.241 1.11708e+01  -2.73541e+00 0.00000e+00 0.00000e+00 5.60615e+02 346.241 8.90782e+00 166.241 0.9555 
1 1 1 6  4  3  o 15 5.61320e+02 1.62944e+01 4.42428e+02 286.293 1.60857e+00  -5.50346e+00 0.00000e+00 0.00000e+00 1.99936e+02 286.293 2.42493e+02 106.293 0.9080 
1 1 1 6  4  4  o 3  1.02083e+03 2.56916e+01 6.00562e+02 147.068 -1.13592e+01 7.35764e+00  0.00000e+00 0.00000e+00 6.39713e+02 147.068 3.91512e+01 147.068 0.9623 
1 1 1 6  4  5  o 10 1.18158e+03 2.89238e+01 7.25030e+02 116.892 -1.49552e+01 2.94883e+01  0.00000e+00 0.00000e+00 7.47359e+02 116.892 2.23288e+01 116.892 0.9848 
1 1 1 6  4  6  o 19 9.25464e+02 2.34764e+01 5.44423e+02 9.853   1.82671e+01  3.17262e+00  0.00000e+00 0.00000e+00 5.97798e+02 9.853   5.33747e+01 9.853   0.9726 
1 1 1 6  4  7  o 3  9.28072e+02 2.36515e+01 5.58880e+02 325.971 2.10286e+01  -1.41992e+01 0.00000e+00 0.00000e+00 5.99118e+02 325.971 4.02380e+01 325.971 0.9801 
1 1 1 6  4  8  o 17 1.09843e+03 2.35122e+01 7.12940e+02 260.173 -7.31765e+00 -4.22458e+01 0.00000e+00 0.00000e+00 6.74296e+02 260.173 3.86444e+01 80.173  0.9883 
1 1 1 6  4  9  o 6  7.80140e+02 1.78387e+01 5.39175e+02 166.913 -2.11446e+01 4.91555e+00  0.00000e+00 0.00000e+00 4.38721e+02 166.913 1.00453e+02 346.913 0.9767 
1 1 1 6  4  10 o 17 7.21855e+02 1.94579e+01 4.37618e+02 145.490 -1.52222e+01 1.04658e+01  0.00000e+00 0.00000e+00 4.67707e+02 145.490 3.00897e+01 145.490 0.9725 
1 1 1 6  4  11 o 6  6.74323e+02 1.60972e+01 2.13277e+02 54.355  5.39597e+00  7.52457e+00  0.00000e+00 0.00000e+00 6.12277e+02 54.355  3.99000e+02 54.355  0.9443 
1 1 1 6  4  12 o 14 3.88778e+02 1.20455e+01 2.42341e+02 49.693  5.47506e+00  6.45439e+00  0.00000e+00 0.00000e+00 2.33646e+02 49.693  8.69495e+00 229.693 0.9389 
1 1 1 6  4  13 o 7  7.83012e+02 1.81090e+01 4.87566e+02 290.998 1.17554e+01  -3.06270e+01 0.00000e+00 0.00000e+00 5.24123e+02 290.998 3.65572e+01 290.998 0.9846 
1 1 1 6  4  14 o 6  1.33414e+02 1.24542e+01 1.15317e+02 164.724 -1.62042e+00 4.42570e-01  0.00000e+00 0.00000e+00 2.94338e+00 344.724 1.18260e+02 344.724 0.6375 
1 1 1 6  4  15 o 4  6.01843e+02 1.53938e+01 2.88286e+02 37.509  1.69612e+01  1.30190e+01  0.00000e+00 0.00000e+00 4.93726e+02 37.509  2.05439e+02 37.509  0.9763 
1 1 1 6  4  16 o 17 6.49075e+02 1.89465e+01 2.60807e+02 82.967  2.86265e+00  2.32048e+01  0.00000e+00 0.00000e+00 5.90979e+02 82.967  3.30171e+02 82.967  0.9784 
1 1 1 6  4  17 o 6  6.31449e+02 1.62694e+01 3.29617e+02 222.117 -1.90712e+01 -1.72424e+01 0.00000e+00 0.00000e+00 5.07652e+02 222.117 1.78035e+02 222.117 0.9804 
1 1 1 6  4  18 o 7  2.54288e+02 1.61487e+01 2.39634e+02 206.694 -1.02873e+01 -5.17269e+00 0.00000e+00 0.00000e+00 9.19173e+01 206.694 1.47717e+02 26.694  0.9555 
1 1 1 6  4  19 o 15 1.66759e+02 1.71795e+01 1.74907e+02 91.761  -1.72737e-01 5.61778e+00  0.00000e+00 0.00000e+00 3.31872e+01 91.761  1.41719e+02 271.761 0.9060 
1 1 1 6  4  20 o 3  1.58673e+02 1.95809e+01 1.11729e+02 343.383 3.35664e+00  -1.00175e+00 0.00000e+00 0.00000e+00 7.39372e+01 343.383 3.77916e+01 163.383 0.8413 
1 1 1 6  4  21 o 13 5.32156e+02 2.36241e+01 2.28749e+02 39.128  1.94353e+01  1.58105e+01  0.00000e+00 0.00000e+00 5.04047e+02 39.128  2.75298e+02 39.128  0.9798 
1 1 1 6  4  23 o 16 2.44274e+02 1.88643e+01 1.40681e+02 149.547 -5.12700e+00 3.01440e+00  0.00000e+00 0.00000e+00 1.79266e+02 149.547 3.85846e+01 149.547 0.9115 
1 1 1 6  4  24 o 3  2.90529e+02 1.96543e+01 1.12917e+02 170.092 -6.41339e+00 1.12018e+00  0.00000e+00 0.00000e+00 2.75569e+02 170.092 1.62652e+02 170.092 0.9196 
1 1 1 6  4  25 o 8  3.60473e+02 4.65917e+01 2.14466e+02 204.887 -1.25028e+01 -5.80018e+00 0.00000e+00 0.00000e+00 2.96562e+02 204.887 8.20959e+01 204.887 0.9630 
1 1 1 6  4  27 o 17 1.47772e+02 2.73459e+01 1.08955e+02 13.857  5.07144e+00  1.25106e+00  0.00000e+00 0.00000e+00 9.16555e+01 13.857  1.72998e+01 193.857 0.8983 
1 1 1 6  4  28 o 7  1.57297e+02 2.65346e+01 1.27779e+02 250.109 -2.86145e+00 -7.90854e+00 0.00000e+00 0.00000e+00 9.84339e+01 250.109 2.93450e+01 70.109  0.9385 
1 1 1 6  4  29 o 8  8.14831e+01 2.99193e+01 1.11120e+01 68.429  1.47209e-01  3.72349e-01  0.00000e+00 0.00000e+00 1.37515e+01 68.429  2.63949e+00 68.429  0.1963 
1 1 1 6  4  30 o 4  1.87173e+02 2.14861e+01 1.04122e+02 181.583 -1.16680e+01 -3.22518e-01 0.00000e+00 0.00000e+00 1.78257e+02 181.583 7.41341e+01 181.583 0.9562 
1 1 1 6  4  31 o 12 5.09463e+01 2.33623e+01 2.54454e+01 33.285  7.03052e-01  4.61564e-01  0.00000e+00 0.00000e+00 6.16531e+00 33.285  1.92801e+01 213.285 0.3872 
1 1 1 6  4  32 o 10 8.27434e+01 2.98236e+01 5.35631e+01 345.466 2.92412e+00  -7.58061e-01 0.00000e+00 0.00000e+00 5.57487e+01 345.466 2.18553e+00 345.466 0.8115 
1 1 1 6  4  33 o 16 8.94381e+01 3.68591e+01 5.91302e+01 288.372 1.00514e+00  -3.02650e+00 0.00000e+00 0.00000e+00 6.26859e+01 288.372 3.55576e+00 288.372 0.8230 
1 1 1 6  4  34 o 5  7.67352e+01 3.13383e+01 7.28292e+01 90.546  -4.09280e-02 4.29777e+00  0.00000e+00 0.00000e+00 4.00567e+01 90.546  3.27725e+01 270.546 0.8741 
1 1 1 6  4  35 o 13 6.73770e+01 3.03802e+01 3.95206e+01 174.338 -2.33980e+00 2.31974e-01  0.00000e+00 0.00000e+00 4.67677e+01 174.338 7.24710e+00 174.338 0.7478 
1 1 1 6  4  36 o 17 5.89054e+01 2.82808e+01 2.39567e+01 313.221 1.00447e+00  -1.06888e+00 0.00000e+00 0.00000e+00 3.64138e+01 313.221 1.24571e+01 313.221 0.5878 
1 1 1 6  4  37 o 13 5.77522e+01 2.79825e+01 2.05136e+01 244.047 -5.99349e-01 -1.23144e+00 0.00000e+00 0.00000e+00 3.71465e+01 244.047 1.66329e+01 244.047 0.5622 
1 1 1 6  4  38 o 13 5.95238e+01 2.88513e+01 2.01370e+01 302.805 7.37555e-01  -1.14423e+00 0.00000e+00 0.00000e+00 4.01842e+01 302.805 2.00471e+01 302.805 0.5599 
1 1 1 6  5  0  o 15 1.53970e+03 6.44841e+01 7.44091e+02 180.000 -1.28139e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.20132e+03 180.000 4.57231e+02 180.000 1.0000 
1 1 1 6  5  1  o 10 8.13557e+02 2.60086e+01 4.95372e+02 257.850 -1.92489e+00 -8.94074e+00 0.00000e+00 0.00000e+00 4.74865e+02 257.850 2.05070e+01 77.850  0.9436 
1 1 1 6  5  2  o 13 7.05049e+02 2.33112e+01 4.24768e+02 59.352  3.41339e+00  5.76074e+00  0.00000e+00 0.00000e+00 3.97385e+02 59.352  2.73828e+01 239.352 0.9220 
1 1 1 6  5  3  o 6  9.95966e+02 3.06770e+01 6.19513e+02 51.362  8.33707e+00  1.04296e+01  0.00000e+00 0.00000e+00 5.93564e+02 51.362  2.59493e+01 231.362 0.9618 
1 1 1 6  5  4  o 10 1.24567e+02 1.37189e+01 4.23838e+01 179.400 -2.06027e-01 2.15730e-03  0.00000e+00 0.00000e+00 2.61898e+01 359.400 6.85736e+01 359.400 0.1025 
1 1 1 6  5  5  o 2  4.07251e+02 1.18947e+01 3.04783e+02 161.363 -4.39277e+00 1.48149e+00  0.00000e+00 0.00000e+00 1.53067e+02 161.363 1.51716e+02 341.363 0.8842 
1 1 1 6  5  6  o 18 5.09245e+02 1.54429e+01 3.41606e+02 292.405 3.32285e+00  -8.05964e+00 0.00000e+00 0.00000e+00 2.69235e+02 292.405 7.23709e+01 112.406 0.9408 
1 1 1 6  5  7  o 8  4.67439e+02 1.47697e+01 2.71030e+02 164.773 -5.78860e+00 1.57564e+00  0.00000e+00 0.00000e+00 2.74511e+02 164.773 3.48076e+00 164.773 0.9123 
1 1 1 6  5  8  o 16 1.30552e+03 3.17274e+01 6.89523e+02 113.673 -1.87384e+01 4.27429e+01  0.00000e+00 0.00000e+00 9.68787e+02 113.673 2.79264e+02 113.673 0.9892 
1 1 1 6  5  9  f 0  6.12972e+02 1.50348e+01 4.04057e+02 306.853 9.02835e+00  -1.20453e+01 0.00000e+00 0.00000e+00 3.59693e+02 306.853 4.43641e+01 126.853 0.9662 
1 1 1 6  5  10 o 19 4.88030e+02 1.31882e+01 2.67941e+02 254.082 -2.40440e+00 -8.43046e+00 0.00000e+00 0.00000e+00 3.27193e+02 254.082 5.92514e+01 254.082 0.9411 
1 1 1 6  5  11 o 2  6.69756e+02 1.60523e+01 4.41284e+02 226.637 -1.75184e+01 -1.85493e+01 0.00000e+00 0.00000e+00 4.13903e+02 226.637 2.73810e+01 46.637  0.9802 
1 1 1 6  5  12 o 2  2.93846e+02 1.11637e+01 2.14425e+02 120.824 -2.82527e+00 4.73496e+00  0.00000e+00 0.00000e+00 1.33649e+02 120.824 8.07754e+01 300.824 0.9041 
1 1 1 6  5  13 o 16 7.65260e+02 2.05938e+01 5.38793e+02 81.572  5.03959e+00  3.40150e+01  0.00000e+00 0.00000e+00 4.55433e+02 81.572  8.33599e+01 261.572 0.9854 
1 1 1 6  5  14 o 13 7.51361e+02 1.77135e+01 5.11837e+02 250.645 -1.26855e+01 -3.61128e+01 0.00000e+00 0.00000e+00 4.72496e+02 250.645 3.93417e+01 70.645  0.9868 
1 1 1 6  5  15 o 13 7.32132e+02 2.01655e+01 4.09456e+02 301.575 1.87049e+01  -3.04343e+01 0.00000e+00 0.00000e+00 5.55798e+02 301.575 1.46342e+02 301.575 0.9859 
1 1 1 6  5  16 o 1  1.64382e+02 1.35663e+01 1.31035e+02 3.387   3.36557e+00  1.99166e-01  0.00000e+00 0.00000e+00 5.37579e+01 3.387   7.72771e+01 183.387 0.8341 
1 1 1 6  5  17 o 14 2.39741e+02 1.55642e+01 9.17471e+01 280.411 6.18364e-01  -3.36549e+00 0.00000e+00 0.00000e+00 1.80931e+02 280.411 8.91842e+01 280.411 0.8369 
1 1 1 6  5  18 o 8  4.79504e+01 2.04743e+01 4.10228e+01 49.373  2.33786e-01  2.72507e-01  0.00000e+00 0.00000e+00 2.94065e+01 229.373 7.04293e+01 229.373 0.1767 
1 1 1 6  5  19 o 18 1.93473e+02 2.34972e+01 1.03501e+02 91.378  -8.85851e-02 3.68270e+00  0.00000e+00 0.00000e+00 1.24130e+02 91.378  2.06297e+01 91.378  0.8502 
1 1 1 6  5  20 o 5  1.42395e+02 2.27945e+01 7.80383e+01 317.081 1.56012e+00  -1.45071e+00 0.00000e+00 0.00000e+00 6.48654e+01 317.081 1.31728e+01 137.081 0.7181 
1 1 1 6  5  21 o 12 3.06116e+02 4.06027e+01 5.61837e+01 64.740  1.29221e+00  2.73860e+00  0.00000e+00 0.00000e+00 2.94843e+02 64.740  2.38660e+02 64.740  0.8120 
1 1 1 6  5  22 o 19 4.57207e+02 1.65460e+01 1.65789e+02 85.381  1.00466e+00  1.24343e+01  0.00000e+00 0.00000e+00 4.60153e+02 85.381  2.94364e+02 85.381  0.9590 
1 1 1 6  5  23 o 18 8.54929e+01 3.04569e+01 1.12504e+02 124.073 -1.04993e+00 1.55230e+00  0.00000e+00 0.00000e+00 2.90653e+01 304.073 1.41569e+02 304.073 0.6760 
1 1 1 6  5  24 o 12 3.75764e+02 1.88205e+01 1.20352e+02 35.864  7.25080e+00  5.24180e+00  0.00000e+00 0.00000e+00 3.96995e+02 35.864  2.76643e+02 35.864  0.9423 
1 1 1 6  5  25 o 19 8.27579e+01 3.12654e+01 5.12278e+01 302.307 5.45749e-01  -8.63054e-01 0.00000e+00 0.00000e+00 4.32758e+00 302.307 4.69002e+01 122.307 0.4538 
1 1 1 6  5  26 o 6  2.32073e+02 2.80633e+01 5.02207e+01 113.911 -1.42622e+00 3.21672e+00  0.00000e+00 0.00000e+00 2.42590e+02 113.911 1.92369e+02 113.911 0.8421 
1 1 1 6  5  27 o 17 1.33000e+02 2.96937e+01 1.25481e+02 256.032 -1.25865e+00 -5.06010e+00 0.00000e+00 0.00000e+00 5.59053e+01 256.032 6.95753e+01 76.032  0.8981 
1 1 1 6  5  28 o 1  9.89192e+01 3.21122e+01 8.46991e+01 252.128 -9.57856e-01 -2.97061e+00 0.00000e+00 0.00000e+00 3.99736e+01 252.128 4.47254e+01 72.128  0.8186 
1 1 1 6  5  29 o 14 1.85478e+02 2.15771e+01 1.37902e+02 105.630 -3.63421e+00 1.29901e+01  0.00000e+00 0.00000e+00 1.40860e+02 105.630 2.95828e+00 105.630 0.9622 
1 1 1 6  5  30 o 17 7.95345e+01 3.21135e+01 1.10683e+01 73.153  1.11343e-01  3.67695e-01  0.00000e+00 0.00000e+00 1.27174e+01 73.153  1.64916e+00 73.153  0.1886 
1 1 1 6  5  31 o 8  1.25656e+02 2.68991e+01 8.33767e+01 273.875 4.48393e-01  -6.62025e+00 0.00000e+00 0.00000e+00 1.02991e+02 273.875 1.96139e+01 273.875 0.9212 
1 1 1 6  5  32 o 12 8.53312e+01 2.99030e+01 4.28908e+01 176.525 -2.47428e+00 1.50264e-01  0.00000e+00 0.00000e+00 6.35653e+01 176.525 2.06745e+01 176.525 0.7627 
1 1 1 6  5  33 o 8  1.16475e+02 3.29533e+01 5.03758e+01 52.301  2.60148e+00  3.36600e+00  0.00000e+00 0.00000e+00 1.18631e+02 52.301  6.82552e+01 52.301  0.8726 
1 1 1 6  5  34 o 3  6.81646e+01 3.14931e+01 2.58627e+01 335.952 1.25430e+00  -5.59713e-01 0.00000e+00 0.00000e+00 3.90695e+01 335.952 1.32067e+01 335.952 0.5633 
1 1 1 6  5  35 o 8  8.34373e+01 3.36965e+01 2.12549e+01 337.773 1.30674e+00  -5.34000e-01 0.00000e+00 0.00000e+00 6.10915e+01 337.773 3.98366e+01 337.773 0.5735 
1 1 1 6  5  36 o 15 7.53092e+01 3.29006e+01 1.32454e+01 116.758 -3.70152e-01 7.34109e-01  0.00000e+00 0.00000e+00 3.68699e+01 116.758 2.36244e+01 116.758 0.3798 
1 1 1 6  5  37 o 11 5.08113e+01 2.52026e+01 1.83408e+01 218.261 -9.88998e-01 -7.79984e-01 0.00000e+00 0.00000e+00 2.97912e+01 218.261 1.14504e+01 218.261 0.5308 
1 1 1 6  5  38 o 7  4.85111e+01 2.43879e+01 1.23542e+01 236.564 -4.94962e-01 -7.49632e-01 0.00000e+00 0.00000e+00 2.37447e+01 236.564 1.13905e+01 236.564 0.4092 
1 1 1 6  6  0  f 0  3.04528e+02 2.15622e+01 7.54821e+01 180.000 -2.46951e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.81999e+01 180.000 5.72822e+01 0.000   0.2421 
1 1 1 6  6  1  o 14 4.14672e+02 1.38259e+01 2.89552e+02 17.341  2.45113e+00  7.65357e-01  0.00000e+00 0.00000e+00 1.17506e+02 17.341  1.72046e+02 197.341 0.7722 
1 1 1 6  6  2  o 15 5.44732e+02 1.96302e+01 1.83754e+02 279.627 6.49575e-01  -3.82945e+00 0.00000e+00 0.00000e+00 4.11491e+02 279.627 2.27738e+02 279.627 0.8589 
1 1 1 6  6  3  o 3  5.94128e+02 2.94415e+01 4.05299e+02 83.271  1.05543e+00  8.94596e+00  0.00000e+00 0.00000e+00 3.08182e+02 83.271  9.71162e+01 263.271 0.9427 
1 1 1 6  6  4  o 19 1.97631e+02 1.38197e+01 2.03338e+02 46.170  1.02267e+00  1.06531e+00  0.00000e+00 0.00000e+00 5.44618e+01 226.170 2.57799e+02 226.170 0.5903 
1 1 1 6  6  5  o 18 8.03432e+02 1.81652e+01 6.80092e+02 260.632 -4.42203e+00 -2.68052e+01 0.00000e+00 0.00000e+00 3.28384e+02 260.632 3.51708e+02 80.632  0.9814 
1 1 1 6  6  6  o 3  5.76577e+02 1.43730e+01 3.57048e+02 190.974 -9.61222e+00 -1.86394e+00 0.00000e+00 0.00000e+00 3.43583e+02 190.974 1.34645e+01 10.974  0.9475 
1 1 1 6  6  7  o 18 5.03776e+02 1.53863e+01 3.03909e+02 86.833  4.55469e-01  8.23067e+00  0.00000e+00 0.00000e+00 3.03625e+02 86.833  2.84463e-01 266.833 0.9372 
1 1 1 6  6  8  o 6  2.86105e+02 1.23247e+01 2.78360e+02 4.586   4.92935e+00  3.95371e-01  0.00000e+00 0.00000e+00 5.13021e+01 4.586   2.27058e+02 184.586 0.8921 
1 1 1 6  6  9  o 1  5.64874e+02 1.65665e+01 1.49992e+02 318.882 4.36394e+00  -3.80932e+00 0.00000e+00 0.00000e+00 5.16071e+02 318.882 3.66079e+02 318.882 0.9090 
1 1 1 6  6  10 o 12 3.13702e+02 1.10676e+01 2.66526e+02 189.533 -7.38000e+00 -1.23939e+00 0.00000e+00 0.00000e+00 1.13960e+02 189.533 1.52565e+02 9.533   0.9306 
1 1 1 6  6  11 o 15 7.39584e+02 1.72662e+01 4.72042e+02 35.667  2.53685e+01  1.82068e+01  0.00000e+00 0.00000e+00 4.81401e+02 35.667  9.35893e+00 35.667  0.9839 
1 1 1 6  6  12 o 1  2.92470e+02 1.12370e+01 1.27213e+02 223.232 -2.37981e+00 -2.23733e+00 0.00000e+00 0.00000e+00 1.91907e+02 223.232 6.46938e+01 223.232 0.8279 
1 1 1 6  6  13 o 17 3.82230e+02 1.22317e+01 1.27044e+02 77.765  1.14026e+00  5.25843e+00  0.00000e+00 0.00000e+00 3.29973e+02 77.765  2.02930e+02 77.765  0.9015 
1 1 1 6  6  14 o 13 2.40479e+02 1.14491e+01 1.61495e+02 98.642  -5.72594e-01 3.76758e+00  0.00000e+00 0.00000e+00 1.13329e+02 98.642  4.81656e+01 278.642 0.8558 
1 1 1 6  6  15 o 8  6.17975e+02 1.57189e+01 3.89610e+02 192.282 -3.35126e+01 -7.29566e+00 0.00000e+00 0.00000e+00 4.29440e+02 192.282 3.98301e+01 192.282 0.9853 
1 1 1 6  6  16 o 16 6.38189e+02 1.86334e+01 4.86851e+02 206.223 -3.49759e+01 -1.72280e+01 0.00000e+00 0.00000e+00 3.67168e+02 206.223 1.19682e+02 26.223  0.9871 
1 1 1 6  6  17 o 8  2.25432e+02 1.58218e+01 2.55829e+02 342.393 8.38180e+00  -2.66005e+00 0.00000e+00 0.00000e+00 3.42513e+01 342.393 2.21577e+02 162.393 0.9413 
1 1 1 6  6  18 o 6  1.94759e+02 1.50504e+01 1.36109e+02 347.456 4.63166e+00  -1.03054e+00 0.00000e+00 0.00000e+00 1.02169e+02 347.456 3.39398e+01 167.456 0.8871 
1 1 1 6  6  19 o 11 1.98271e+02 2.84428e+01 1.11105e+02 221.708 -2.96216e+00 -2.63989e+00 0.00000e+00 0.00000e+00 1.26887e+02 221.708 1.57824e+01 221.708 0.8623 
1 1 1 6  6  20 o 7  3.64162e+02 1.98268e+01 1.91429e+02 337.803 1.47107e+01  -6.00256e+00 0.00000e+00 0.00000e+00 3.04137e+02 337.803 1.12707e+02 337.803 0.9680 
1 1 1 6  6  21 f 0  2.07488e+02 2.40540e+01 1.47968e+02 15.565  5.89012e+00  1.64072e+00  0.00000e+00 0.00000e+00 1.21439e+02 15.565  2.65287e+01 195.565 0.9141 
1 1 1 6  6  22 o 19 1.18159e+02 3.36600e+01 9.02925e+01 101.296 -3.08986e-01 1.54683e+00  0.00000e+00 0.00000e+00 1.40003e+01 101.296 7.62921e+01 281.296 0.6147 
1 1 1 6  6  23 o 18 5.38774e+01 2.47551e+01 4.03905e+01 183.203 -4.06633e-01 -2.27569e-02 0.00000e+00 0.00000e+00 2.47782e+01 3.203   6.51687e+01 3.203   0.1995 
1 1 1 6  6  24 o 16 1.04629e+02 3.27029e+01 5.86136e+01 238.513 -5.78371e-01 -9.44312e-01 0.00000e+00 0.00000e+00 1.56762e+01 238.513 4.29375e+01 58.513  0.4831 
1 1 1 6  6  26 o 2  2.61834e+02 3.92558e+01 1.22072e+02 82.233  1.04891e+00  7.69027e+00  0.00000e+00 0.00000e+00 2.46176e+02 82.233  1.24104e+02 82.233  0.9332 
1 1 1 6  6  27 o 3  2.46233e+02 3.20845e+01 1.65687e+02 246.365 -5.94262e+00 -1.35795e+01 0.00000e+00 0.00000e+00 1.97501e+02 246.365 3.18142e+01 246.365 0.9657 
1 1 1 6  6  28 f 0  8.85825e+01 3.10802e+01 3.80279e+01 64.608  5.34290e-01  1.12560e+00  0.00000e+00 0.00000e+00 3.42442e+01 64.608  3.78368e+00 244.608 0.5268 
1 1 1 6  6  29 o 17 5.60681e+01 2.47716e+01 4.22534e+01 155.487 -1.18320e+00 5.39531e-01  0.00000e+00 0.00000e+00 5.56242e+00 155.487 3.66910e+01 335.487 0.5428 
1 1 1 6  6  30 o 14 1.10324e+02 3.35287e+01 5.09380e+01 289.167 8.08119e-01  -2.32488e+00 0.00000e+00 0.00000e+00 8.29027e+01 289.167 3.19647e+01 289.167 0.7607 
1 1 1 6  6  31 o 9  6.18631e+01 2.62410e+01 2.03901e+01 298.416 4.03044e-01  -7.44916e-01 0.00000e+00 0.00000e+00 1.86370e+01 298.416 1.75308e+00 118.416 0.3896 
1 1 1 6  6  32 o 19 5.81260e+01 2.61208e+01 3.57079e+01 123.764 -9.34552e-01 1.39790e+00  0.00000e+00 0.00000e+00 2.53020e+01 123.764 1.04059e+01 303.764 0.6379 
1 1 1 6  6  33 o 12 1.05074e+02 3.28051e+01 8.76583e+01 88.929  1.24949e-01  6.68474e+00  0.00000e+00 0.00000e+00 7.43530e+01 88.929  1.33053e+01 268.929 0.9218 
1 1 1 6  6  34 o 9  5.68830e+01 2.76489e+01 3.00327e+01 241.273 -7.61617e-01 -1.38958e+00 0.00000e+00 0.00000e+00 2.96085e+01 241.273 4.24183e-01 61.273  0.6164 
1 1 1 6  6  35 o 15 7.35947e+01 3.16491e+01 5.84480e+01 270.250 1.63447e-02  -3.75111e+00 0.00000e+00 0.00000e+00 5.02427e+01 270.250 8.20533e+00 90.250  0.8532 
1 1 1 6  6  36 o 2  5.32987e+01 2.58913e+01 1.20420e+01 282.984 1.78945e-01  -7.76082e-01 0.00000e+00 0.00000e+00 2.26777e+01 282.984 1.06357e+01 282.984 0.3697 
1 1 1 6  6  37 o 19 4.68795e+01 2.35372e+01 1.31480e+01 21.451  8.71342e-01  3.42364e-01  0.00000e+00 0.00000e+00 2.24733e+01 21.451  9.32527e+00 21.451  0.4233 
1 1 1 6  6  38 o 5  4.57346e+01 2.31065e+01 2.42478e+01 47.584  1.21681e+00  1.33182e+00  0.00000e+00 0.00000e+00 3.12024e+01 47.584  6.95461e+00 47.584  0.6628 
1 1 1 6  7  0  o 10 4.73090e+01 1.91234e+01 7.75408e+01 180.000 -6.79582e-02 0.00000e+00  0.00000e+00 0.00000e+00 7.34326e+01 0.000   1.50973e+02 0.000   0.0679 
1 1 1 6  7  1  o 8  6.90549e+02 1.87363e+01 3.77645e+02 278.244 1.37339e+00  -9.47910e+00 0.00000e+00 0.00000e+00 4.58823e+02 278.244 8.11775e+01 278.244 0.9463 
1 1 1 6  7  2  o 4  5.92394e+02 2.07640e+01 1.58302e+02 92.625  -1.55241e-01 3.38606e+00  0.00000e+00 0.00000e+00 4.75470e+02 92.625  3.17167e+02 92.625  0.8351 
1 1 1 6  7  3  o 6  3.12442e+02 2.16456e+01 2.58236e+02 52.915  2.42691e+00  3.21075e+00  0.00000e+00 0.00000e+00 8.82121e+01 52.915  1.70024e+02 232.915 0.8645 
1 1 1 6  7  4  o 3  6.03058e+02 2.10289e+01 3.38520e+02 113.269 -3.90338e+00 9.07708e+00  0.00000e+00 0.00000e+00 3.96054e+02 113.269 5.75336e+01 113.269 0.9480 
1 1 1 6  7  5  o 8  3.74772e+02 1.33066e+01 1.43693e+02 61.673  1.19988e+00  2.22594e+00  0.00000e+00 0.00000e+00 2.27030e+02 61.673  8.33372e+01 61.673  0.7681 
1 1 1 6  7  6  o 18 7.65961e+02 1.75773e+01 5.58316e+02 243.422 -1.02276e+01 -2.04442e+01 0.00000e+00 0.00000e+00 4.08998e+02 243.422 1.49318e+02 63.423  0.9779 
1 1 1 6  7  7  f 0  3.59650e+02 1.31636e+01 1.97985e+02 167.561 -4.32777e+00 9.54618e-01  0.00000e+00 0.00000e+00 2.11294e+02 167.561 1.33089e+01 167.561 0.8783 
1 1 1 6  7  8  o 1  3.76926e+02 1.34605e+01 3.71138e+02 61.904  3.88500e+00  7.27707e+00  0.00000e+00 0.00000e+00 8.83390e+01 61.904  2.82799e+02 241.904 0.9373 
1 1 1 6  7  9  o 15 2.79476e+02 1.07068e+01 2.01224e+02 64.680  1.58035e+00  3.34020e+00  0.00000e+00 0.00000e+00 1.09316e+02 64.680  9.19083e+01 244.680 0.8507 
1 1 1 6  7  10 o 1  5.09238e+02 1.35352e+01 2.74686e+02 226.792 -8.18440e+00 -8.71302e+00 0.00000e+00 0.00000e+00 3.65072e+02 226.792 9.03853e+01 226.792 0.9572 
1 1 1 6  7  11 o 7  1.27429e+02 1.12128e+01 1.92411e+02 239.449 -1.08281e+00 -1.83448e+00 0.00000e+00 0.00000e+00 7.16849e+01 59.449  2.64096e+02 59.449  0.7180 
1 1 1 6  7  12 o 9  7.93870e+01 1.41672e+01 1.41573e+02 62.054  5.97843e-01  1.12694e+00  0.00000e+00 0.00000e+00 8.51443e+01 242.054 2.26717e+02 242.054 0.5356 
1 1 1 6  7  13 o 17 1.16084e+02 1.29571e+01 9.57487e+01 257.980 -2.33604e-01 -1.09710e+00 0.00000e+00 0.00000e+00 2.01177e+01 77.980  1.15866e+02 77.980  0.4879 
1 1 1 6  7  14 o 10 3.52818e+02 1.21139e+01 2.15086e+02 307.689 5.69404e+00  -7.37006e+00 0.00000e+00 0.00000e+00 2.33079e+02 307.689 1.79931e+01 307.689 0.9447 
1 1 1 6  7  15 o 14 6.36999e+02 1.61094e+01 3.25931e+02 87.256  1.56222e+00  3.25891e+01  0.00000e+00 0.00000e+00 5.23551e+02 87.256  1.97619e+02 87.256  0.9846 
1 1 1 6  7  16 o 10 4.83834e+02 1.42340e+01 1.57250e+02 247.711 -3.57853e+00 -8.73019e+00 0.00000e+00 0.00000e+00 4.67193e+02 247.711 3.09943e+02 247.711 0.9454 
1 1 1 6  7  17 o 14 3.77975e+02 1.59475e+01 1.39867e+02 337.510 9.26154e+00  -3.83443e+00 0.00000e+00 0.00000e+00 3.53748e+02 337.510 2.13881e+02 337.510 0.9487 
1 1 1 6  7  18 o 15 6.99977e+01 2.42067e+01 9.38927e+01 118.918 -5.92819e-01 1.07307e+00  0.00000e+00 0.00000e+00 4.32725e+01 298.918 1.37165e+02 298.918 0.5207 
1 1 1 6  7  20 o 7  1.66180e+02 2.17301e+01 2.22424e+02 314.269 5.43383e+00  -5.57420e+00 0.00000e+00 0.00000e+00 2.85480e+00 134.269 2.25279e+02 134.269 0.9334 
1 1 1 6  7  21 o 3  1.73179e+02 2.12399e+01 1.85583e+02 191.749 -6.76605e+00 -1.40719e+00 0.00000e+00 0.00000e+00 4.34214e+01 191.749 1.42161e+02 11.749  0.9245 
1 1 1 6  7  22 o 17 6.11933e+01 2.79706e+01 5.41640e+01 137.336 -4.06026e-01 3.74201e-01  0.00000e+00 0.00000e+00 3.06224e+01 317.336 8.47864e+01 317.336 0.2661 
1 1 1 6  7  23 o 15 3.82687e+02 1.71923e+01 1.92103e+02 352.307 1.40818e+01  -1.90222e+00 0.00000e+00 0.00000e+00 3.47476e+02 352.307 1.55373e+02 352.307 0.9641 
1 1 1 6  7  24 o 4  2.69116e+02 2.14750e+01 1.42085e+02 44.745  6.34354e+00  6.28734e+00  0.00000e+00 0.00000e+00 2.33161e+02 44.745  9.10758e+01 44.745  0.9422 
1 1 1 6  7  25 o 12 6.31729e+01 2.96955e+01 8.36854e+01 116.876 -6.33062e-01 1.24915e+00  0.00000e+00 0.00000e+00 2.96854e+01 296.876 1.13371e+02 296.876 0.5705 
1 1 1 6  7  26 o 1  1.63878e+02 2.75864e+01 1.31843e+02 254.125 -1.86988e+00 -6.57510e+00 0.00000e+00 0.00000e+00 9.78761e+01 254.125 3.39673e+01 74.125  0.9237 
1 1 1 6  7  27 o 9  1.77080e+02 2.97547e+01 5.22379e+01 306.195 2.18934e+00  -2.99195e+00 0.00000e+00 0.00000e+00 1.79608e+02 306.195 1.27370e+02 306.195 0.8512 
1 1 1 6  7  28 o 7  6.31457e+01 2.68807e+01 4.43820e+01 87.514  4.80073e-02  1.10587e+00  0.00000e+00 0.00000e+00 3.18203e+00 87.514  4.11999e+01 267.514 0.4830 
1 1 1 6  7  29 o 17 8.44441e+01 3.20374e+01 6.12898e+01 263.812 -2.58364e-01 -2.38290e+00 0.00000e+00 0.00000e+00 3.93510e+01 263.812 2.19388e+01 83.812  0.7533 
1 1 1 6  7  30 o 8  1.12071e+02 2.70668e+01 6.84256e+01 146.298 -3.21907e+00 2.14699e+00  0.00000e+00 0.00000e+00 8.60420e+01 146.298 1.76164e+01 146.298 0.8583 
1 1 1 6  7  31 o 18 5.52883e+01 2.47587e+01 3.52871e+01 70.885  4.45067e-01  1.28418e+00  0.00000e+00 0.00000e+00 1.51421e+01 70.885  2.01450e+01 250.885 0.5593 
1 1 1 6  7  32 o 11 7.60968e+01 3.08131e+01 4.32801e+01 4.380   2.32484e+00  1.78051e-01  0.00000e+00 0.00000e+00 5.06970e+01 4.380   7.41693e+00 4.380   0.7454 
1 1 1 6  7  33 o 17 4.24190e+01 2.09062e+01 1.62483e+01 350.450 7.82716e-01  -1.31690e-01 0.00000e+00 0.00000e+00 1.00833e+01 350.450 6.16497e+00 170.450 0.3686 
1 1 1 6  7  34 f 0  5.66309e+01 2.78511e+01 2.43042e+01 280.400 2.27276e-01  -1.23834e+00 0.00000e+00 0.00000e+00 2.71743e+01 280.400 2.87004e+00 280.400 0.5307 
1 1 1 6  7  35 o 11 6.40653e+01 2.93155e+01 1.25776e+01 148.998 -6.63243e-01 3.98549e-01  0.00000e+00 0.00000e+00 2.76836e+01 148.998 1.51059e+01 148.998 0.3606 
1 1 1 6  7  36 o 14 5.98861e+01 2.84009e+01 1.48994e+01 289.540 3.17619e-01  -8.94951e-01 0.00000e+00 0.00000e+00 3.06103e+01 289.540 1.57109e+01 289.540 0.4283 
1 1 1 6  7  37 o 13 5.60392e+01 2.73846e+01 7.51614e+00 169.629 -4.93810e-01 9.03742e-02  0.00000e+00 0.00000e+00 1.71390e+01 169.629 9.62286e+00 169.629 0.2434 
1 1 1 6  8  0  o 2  3.50718e+02 1.59105e+01 2.25515e+02 0.000   1.92917e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.08228e+02 0.000   1.72875e+01 180.000 0.9587 
1 1 1 6  8  1  f 0  4.81824e+02 1.49131e+01 3.05016e+02 172.124 -7.04968e+00 9.75213e-01  0.00000e+00 0.00000e+00 2.71216e+02 172.124 3.37995e+01 352.124 0.9268 
1 1 1 6  8  2  o 19 4.18595e+02 1.70632e+01 2.60393e+02 232.591 -3.15888e+00 -4.13025e+00 0.00000e+00 0.00000e+00 2.24926e+02 232.591 3.54663e+01 52.591  0.8978 
1 1 1 6  8  3  o 10 1.07454e+02 2.07288e+01 1.21646e+02 333.428 6.49326e-01  -3.24763e-01 0.00000e+00 0.00000e+00 7.42668e+01 153.428 1.95913e+02 153.428 0.3410 
1 1 1 6  8  4  o 17 5.57505e+02 1.62932e+01 3.70792e+02 153.710 -1.00653e+01 4.97239e+00  0.00000e+00 0.00000e+00 3.18374e+02 153.710 5.24185e+01 333.710 0.9544 
1 1 1 6  8  5  o 16 7.72803e+02 2.03973e+01 5.19892e+02 131.483 -1.38836e+01 1.57018e+01  0.00000e+00 0.00000e+00 4.59135e+02 131.483 6.07572e+01 311.483 0.9758 
1 1 1 6  8  6  o 6  3.53878e+02 1.30413e+01 2.42519e+02 312.708 3.57985e+00  -3.87836e+00 0.00000e+00 0.00000e+00 1.71845e+02 312.708 7.06739e+01 132.708 0.8995 
1 1 1 6  8  7  o 1  1.03747e+03 2.59278e+01 5.82154e+02 319.807 3.11675e+01  -2.63319e+01 0.00000e+00 0.00000e+00 7.56166e+02 319.807 1.74011e+02 319.807 0.9877 
1 1 1 6  8  8  o 4  5.58081e+02 1.64316e+01 1.95045e+02 257.180 -1.58074e+00 -6.94619e+00 0.00000e+00 0.00000e+00 4.83129e+02 257.180 2.88085e+02 257.180 0.9269 
1 1 1 6  8  9  o 9  5.78739e+02 1.69108e+01 2.32438e+02 124.849 -6.58787e+00 9.46153e+00  0.00000e+00 0.00000e+00 4.95736e+02 124.849 2.63299e+02 124.849 0.9556 
1 1 1 6  8  10 o 15 3.20231e+02 1.12191e+01 1.44905e+02 25.117  3.70131e+00  1.73519e+00  0.00000e+00 0.00000e+00 2.22336e+02 25.117  7.74310e+01 25.117  0.8668 
1 1 1 6  8  11 o 11 5.10319e+02 1.36882e+01 3.05353e+02 21.227  1.24858e+01  4.84979e+00  0.00000e+00 0.00000e+00 3.47534e+02 21.227  4.21805e+01 21.227  0.9619 
1 1 1 6  8  12 o 11 4.23375e+01 1.56741e+01 6.07050e+01 182.960 -2.79361e-01 -1.44447e-02 0.00000e+00 0.00000e+00 5.28598e+01 2.960   1.13565e+02 2.960   0.1385 
1 1 1 6  8  13 o 7  2.49487e+02 1.13857e+01 2.01289e+02 133.941 -4.38901e+00 4.55428e+00  0.00000e+00 0.00000e+00 1.06742e+02 133.941 9.45468e+01 313.941 0.9171 
1 1 1 6  8  14 o 2  3.44920e+02 1.22489e+01 1.42783e+02 166.516 -6.88622e+00 1.65120e+00  0.00000e+00 0.00000e+00 2.90332e+02 166.516 1.47549e+02 166.516 0.9264 
1 1 1 6  8  15 o 3  1.88221e+02 1.28156e+01 3.10140e+02 265.124 -6.35134e-01 -7.44578e+00 0.00000e+00 0.00000e+00 7.10202e+01 85.124  3.81160e+02 85.124  0.9305 
1 1 1 6  8  16 o 17 1.77416e+02 1.64859e+01 1.75418e+02 308.207 2.95102e+00  -3.74919e+00 0.00000e+00 0.00000e+00 4.13265e+01 308.207 1.34092e+02 128.207 0.8878 
1 1 1 6  8  17 o 3  1.16233e+02 1.89664e+01 2.20640e+01 69.730  1.58095e-01  4.28077e-01  0.00000e+00 0.00000e+00 1.38099e+01 69.730  8.25403e+00 249.730 0.2224 
1 1 1 6  8  19 o 13 1.20922e+02 2.38556e+01 1.20600e+02 348.494 3.21206e+00  -6.53825e-01 0.00000e+00 0.00000e+00 2.09780e+01 348.494 9.96215e+01 168.494 0.8286 
1 1 1 6  8  20 o 5  2.36803e+02 2.33569e+01 1.62371e+02 3.577   7.80102e+00  4.87632e-01  0.00000e+00 0.00000e+00 1.53118e+02 3.577   9.25305e+00 183.577 0.9336 
1 1 1 6  8  21 o 1  4.02710e+02 1.79186e+01 1.97984e+02 201.970 -1.21816e+01 -4.91436e+00 0.00000e+00 0.00000e+00 3.60084e+02 201.970 1.62100e+02 201.970 0.9611 
1 1 1 6  8  22 o 2  1.91665e+02 3.14461e+01 6.72188e+01 136.426 -1.81558e+00 1.72738e+00  0.00000e+00 0.00000e+00 1.46670e+02 136.426 7.94509e+01 136.426 0.7657 
1 1 1 6  8  23 o 18 8.24392e+01 3.00030e+01 6.05680e+00 24.085  8.43433e-02  3.77024e-02  0.00000e+00 0.00000e+00 4.49007e-01 204.085 6.50581e+00 204.085 0.0461 
1 1 1 6  8  24 o 5  1.64790e+02 2.55457e+01 1.04509e+02 120.045 -2.22752e+00 3.85112e+00  0.00000e+00 0.00000e+00 1.11521e+02 120.045 7.01230e+00 120.045 0.8788 
1 1 1 6  8  25 o 7  1.87176e+02 3.54719e+01 9.80350e+01 357.579 5.04558e+00  -2.13317e-01 0.00000e+00 0.00000e+00 1.54837e+02 357.579 5.68023e+01 357.579 0.8945 
1 1 1 6  8  26 o 15 2.30389e+02 3.63988e+01 1.37398e+02 305.601 5.25630e+00  -7.34157e+00 0.00000e+00 0.00000e+00 1.94926e+02 305.601 5.75280e+01 305.601 0.9429 
1 1 1 6  8  27 o 17 6.83222e+01 2.86078e+01 3.58479e+01 2.774   9.92929e-01  4.81107e-02  0.00000e+00 0.00000e+00 1.12149e+01 2.774   2.46329e+01 182.774 0.4443 
1 1 1 6  8  28 o 11 5.52076e+01 2.57045e+01 6.06211e+01 166.037 -1.57267e+00 3.91046e-01  0.00000e+00 0.00000e+00 6.41626e+00 346.037 6.70374e+01 346.037 0.6246 
1 1 1 6  8  29 o 6  1.10755e+02 3.36902e+01 9.81314e+01 240.307 -2.45528e+00 -4.30584e+00 0.00000e+00 0.00000e+00 5.94924e+01 240.307 3.86390e+01 60.307  0.8924 
1 1 1 6  8  30 o 6  4.74572e+01 2.19516e+01 4.95471e+01 87.179  7.82886e-02  1.58882e+00  0.00000e+00 0.00000e+00 2.08916e+00 267.179 5.16362e+01 267.179 0.6178 
1 1 1 6  8  31 f 0  1.22654e+02 2.82670e+01 1.03298e+02 81.499  1.23738e+00  8.27806e+00  0.00000e+00 0.00000e+00 8.58655e+01 81.499  1.74324e+01 261.499 0.9382 
1 1 1 6  8  32 o 14 1.02405e+02 3.24527e+01 3.94402e+01 278.040 4.01955e-01  -2.84575e+00 0.00000e+00 0.00000e+00 9.74223e+01 278.040 5.79821e+01 278.040 0.8002 
1 1 1 6  8  33 o 17 6.47488e+01 2.86338e+01 6.60514e+01 251.684 -1.15637e+00 -3.49337e+00 0.00000e+00 0.00000e+00 2.73834e+01 251.684 3.86680e+01 71.684  0.8500 
1 1 1 6  8  34 o 4  6.01926e+01 2.76374e+01 1.07954e+01 277.846 8.36194e-02  -6.06774e-01 0.00000e+00 0.00000e+00 1.96295e+01 277.846 8.83415e+00 277.846 0.2927 
1 1 1 6  8  35 o 12 8.32986e+01 3.84008e+01 1.83059e+01 329.487 8.24967e-01  -4.86189e-01 0.00000e+00 0.00000e+00 4.47955e+01 329.487 2.64896e+01 329.487 0.4312 
1 1 1 6  8  36 o 16 5.41429e+01 2.62064e+01 2.94083e+01 61.620  9.02643e-01  1.67081e+00  0.00000e+00 0.00000e+00 3.64938e+01 61.620  7.08558e+00 61.620  0.6805 
1 1 1 6  8  37 o 15 5.52128e+01 2.70192e+01 1.84515e+01 81.531  1.84613e-01  1.23985e+00  0.00000e+00 0.00000e+00 3.47680e+01 81.531  1.63165e+01 81.531  0.5290 
1 1 1 6  9  0  f 0  3.75395e+01 1.84938e+01 3.24096e+01 180.000 -3.28129e-02 -0.00000e+00 0.00000e+00 0.00000e+00 3.08067e+01 0.000   6.32163e+01 0.000   0.0328 
1 1 1 6  9  1  o 5  9.48694e+02 2.41468e+01 5.03694e+02 121.112 -1.30777e+01 2.16692e+01  0.00000e+00 0.00000e+00 7.06970e+02 121.112 2.03277e+02 121.112 0.9800 
1 1 1 6  9  2  o 15 5.49798e+02 1.97806e+01 2.75807e+02 138.585 -5.99359e+00 5.28682e+00  0.00000e+00 0.00000e+00 3.94193e+02 138.585 1.18386e+02 138.585 0.9352 
1 1 1 6  9  3  o 6  6.70514e+02 3.20552e+01 3.52951e+02 286.299 4.07064e+00  -1.39214e+01 0.00000e+00 0.00000e+00 4.91187e+02 286.299 1.38236e+02 286.299 0.9649 
1 1 1 6  9  4  o 6  1.54928e+02 1.42849e+01 2.02711e+02 191.781 -1.89869e+00 -3.96001e-01 0.00000e+00 0.00000e+00 6.34733e+01 11.781  2.66184e+02 11.781  0.6876 
1 1 1 6  9  5  f 0  5.42702e+02 1.60573e+01 3.42535e+02 166.464 -1.07870e+01 2.59681e+00  0.00000e+00 0.00000e+00 3.35583e+02 166.464 6.95256e+00 346.464 0.9538 
1 1 1 6  9  6  o 1  1.53261e+02 1.16677e+01 2.96648e+01 83.938  3.26230e-02  3.07174e-01  0.00000e+00 0.00000e+00 1.06632e+00 83.938  2.85985e+01 263.938 0.1526 
1 1 1 6  9  7  o 15 1.32170e+02 1.20827e+01 1.28055e+02 22.982  1.40401e+00  5.95458e-01  0.00000e+00 0.00000e+00 2.31409e+01 202.982 1.51196e+02 202.982 0.6023 
1 1 1 6  9  8  o 9  3.01839e+02 1.26767e+01 2.23940e+02 287.402 1.73855e+00  -5.54707e+00 0.00000e+00 0.00000e+00 1.39189e+02 287.402 8.47503e+01 107.402 0.9094 
1 1 1 6  9  9  o 17 3.85910e+02 1.37561e+01 2.83148e+02 227.300 -6.51967e+00 -7.06543e+00 0.00000e+00 0.00000e+00 2.02147e+02 227.300 8.10012e+01 47.301  0.9465 
1 1 1 6  9  10 o 6  1.59209e+02 1.29653e+01 6.60488e+01 71.418  2.90579e-01  8.64354e-01  0.00000e+00 0.00000e+00 2.20111e+01 71.418  4.40377e+01 251.418 0.4143 
1 1 1 6  9  11 o 2  4.05250e+02 1.23083e+01 4.28379e+02 78.276  3.91357e+00  1.88575e+01  0.00000e+00 0.00000e+00 1.01206e+02 78.276  3.27173e+02 258.276 0.9737 
1 1 1 6  9  12 o 13 1.56334e+02 1.14753e+01 9.15006e+01 276.286 1.55394e-01  -1.41072e+00 0.00000e+00 0.00000e+00 2.99600e+01 276.286 6.15405e+01 96.286  0.5755 
1 1 1 6  9  13 o 9  8.82360e+01 1.57853e+01 6.76436e+01 275.133 7.75015e-02  -8.62728e-01 0.00000e+00 0.00000e+00 2.00589e+01 95.133  8.77025e+01 95.133  0.3970 
1 1 1 6  9  14 f 0  3.34721e+02 1.22942e+01 1.31871e+02 100.254 -1.23975e+00 6.85314e+00  0.00000e+00 0.00000e+00 2.91671e+02 100.254 1.59800e+02 100.254 0.9251 
1 1 1 6  9  15 o 6  7.26175e+01 1.97267e+01 1.17383e+02 328.209 1.12284e+00  -6.95946e-01 0.00000e+00 0.00000e+00 6.24868e+01 148.209 1.79870e+02 148.209 0.5487 
1 1 1 6  9  16 o 15 7.94254e+01 2.35916e+01 6.81678e+01 238.167 -5.21274e-01 -8.39646e-01 0.00000e+00 0.00000e+00 1.93941e+01 58.167  8.75619e+01 58.167  0.4422 
1 1 1 6  9  18 o 4  2.48455e+02 3.76996e+01 2.29687e+02 259.496 -1.82012e+00 -9.81675e+00 0.00000e+00 0.00000e+00 1.03218e+02 259.496 1.26469e+02 79.496  0.9485 
1 1 1 6  9  19 o 17 2.26140e+02 1.75897e+01 1.16694e+02 268.181 -1.82530e-01 -5.74838e+00 0.00000e+00 0.00000e+00 1.76188e+02 268.181 5.94942e+01 268.181 0.9083 
1 1 1 6  9  20 o 9  1.66780e+02 1.95752e+01 2.00285e+02 123.656 -4.06935e+00 6.11196e+00  0.00000e+00 0.00000e+00 2.28619e+01 123.656 1.77423e+02 303.656 0.9292 
1 1 1 6  9  21 o 13 2.61512e+02 1.73520e+01 1.30906e+02 67.091  2.38905e+00  5.65319e+00  0.00000e+00 0.00000e+00 2.17020e+02 67.091  8.61140e+01 67.091  0.9144 
1 1 1 6  9  22 o 13 3.07081e+02 4.93318e+01 2.51801e+02 345.761 1.12388e+01  -2.85196e+00 0.00000e+00 0.00000e+00 1.79912e+02 345.761 7.18886e+01 165.761 0.9559 
1 1 1 6  9  23 o 11 2.10331e+02 2.09186e+01 9.61088e+01 35.892  3.24447e+00  2.34793e+00  0.00000e+00 0.00000e+00 1.74132e+02 35.892  7.80233e+01 35.892  0.8637 
1 1 1 6  9  24 o 6  1.15866e+02 3.13051e+01 8.44770e+01 210.586 -2.21951e+00 -1.31187e+00 0.00000e+00 0.00000e+00 5.03883e+01 210.586 3.40888e+01 30.586  0.7732 
1 1 1 6  9  25 o 10 1.65665e+02 3.24589e+01 1.11967e+02 225.963 -3.45726e+00 -3.57553e+00 0.00000e+00 0.00000e+00 1.13437e+02 225.963 1.46926e+00 225.963 0.8928 
1 1 1 6  9  26 o 17 7.64790e+01 3.02141e+01 4.31064e+01 350.584 1.22829e+00  -2.03692e-01 0.00000e+00 0.00000e+00 1.90569e+01 350.584 2.40495e+01 170.584 0.5265 
1 1 1 6  9  27 o 12 8.28328e+01 3.06918e+01 3.55249e+01 77.817  2.37589e-01  1.10052e+00  0.00000e+00 0.00000e+00 2.78745e+01 77.817  7.65045e+00 257.817 0.4892 
1 1 1 6  9  28 o 8  1.32296e+02 2.61182e+01 7.87509e+01 225.411 -3.55060e+00 -3.60194e+00 0.00000e+00 0.00000e+00 1.09022e+02 225.411 3.02710e+01 225.411 0.8947 
1 1 1 6  9  29 o 10 6.12981e+01 2.72656e+01 2.24506e+01 85.293  5.49079e-02  6.66884e-01  0.00000e+00 0.00000e+00 8.83545e+00 85.293  1.36151e+01 265.293 0.3171 
1 1 1 6  9  30 o 2  6.69302e+01 2.65998e+01 4.66998e+01 31.327  1.70864e+00  1.03996e+00  0.00000e+00 0.00000e+00 2.95910e+01 31.327  1.71088e+01 211.327 0.6978 
1 1 1 6  9  31 o 16 5.70788e+01 2.65880e+01 5.57502e+01 288.115 7.48490e-01  -2.28795e+00 0.00000e+00 0.00000e+00 1.56891e+01 288.115 4.00610e+01 108.115 0.7545 
1 1 1 6  9  32 o 6  6.83263e+01 2.89211e+01 4.17913e+01 185.070 -2.42123e+00 -2.14800e-01 0.00000e+00 0.00000e+00 4.54086e+01 185.070 3.61724e+00 185.070 0.7572 
1 1 1 6  9  33 o 1  4.94286e+01 2.36993e+01 1.76360e+01 301.117 4.89904e-01  -8.11579e-01 0.00000e+00 0.00000e+00 1.85783e+01 301.117 9.42366e-01 301.117 0.4277 
1 1 1 6  9  34 o 2  7.74106e+01 3.24378e+01 1.51300e+01 331.867 8.23536e-01  -4.40331e-01 0.00000e+00 0.00000e+00 4.18521e+01 331.867 2.67221e+01 331.867 0.4225 
1 1 1 6  9  35 o 19 5.87152e+01 2.88812e+01 2.48993e+01 67.402  5.61518e-01  1.34911e+00  0.00000e+00 0.00000e+00 3.61475e+01 67.402  1.12481e+01 67.402  0.5864 
1 1 1 6  9  36 o 3  6.60127e+01 3.04682e+01 1.03669e+01 151.749 -5.99843e-01 3.22318e-01  0.00000e+00 0.00000e+00 2.80191e+01 151.749 1.76522e+01 151.749 0.3222 
1 1 1 6  9  37 o 9  5.16461e+01 2.56858e+01 5.98278e+00 183.604 -4.21430e-01 -2.65442e-02 0.00000e+00 0.00000e+00 1.36311e+01 183.604 7.64831e+00 183.604 0.2066 
1 1 1 6  10 0  o 16 4.86423e+02 1.84817e+01 1.00783e+02 0.000   1.49090e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.77154e+02 0.000   3.76371e+02 0.000   0.9035 
1 1 1 6  10 1  o 1  4.70769e+02 1.48056e+01 2.96317e+02 139.938 -6.45848e+00 5.43115e+00  0.00000e+00 0.00000e+00 2.84985e+02 139.938 1.13325e+01 319.938 0.9387 
1 1 1 6  10 2  o 17 7.99097e+02 2.57298e+01 5.95086e+02 59.816  1.40668e+01  2.41844e+01  0.00000e+00 0.00000e+00 4.37855e+02 59.816  1.57231e+02 239.816 0.9820 
1 1 1 6  10 3  o 10 5.47887e+02 1.98194e+01 3.43877e+02 123.325 -7.10420e+00 1.08050e+01  0.00000e+00 0.00000e+00 3.49750e+02 123.325 5.87283e+00 123.325 0.9605 
1 1 1 6  10 4  o 17 6.96523e+02 2.32661e+01 4.14987e+02 161.777 -1.82899e+01 6.02158e+00  0.00000e+00 0.00000e+00 4.80472e+02 161.777 6.54854e+01 161.777 0.9737 
1 1 1 6  10 5  o 19 3.25238e+02 1.27377e+01 2.74686e+02 220.816 -4.44851e+00 -3.84203e+00 0.00000e+00 0.00000e+00 1.17168e+02 220.816 1.57518e+02 40.816  0.9104 
1 1 1 6  10 6  o 12 3.51231e+02 1.31450e+01 1.86808e+02 235.711 -3.25014e+00 -4.76647e+00 0.00000e+00 0.00000e+00 2.36697e+02 235.711 4.98883e+01 235.711 0.9086 
1 1 1 6  10 7  o 1  2.49031e+02 1.04433e+01 1.05818e+02 262.954 -2.95409e-01 -2.38992e+00 0.00000e+00 0.00000e+00 1.44385e+02 262.954 3.85671e+01 262.954 0.7546 
1 1 1 6  10 8  o 15 1.84856e+02 1.19667e+01 1.96616e+02 219.038 -2.46838e+00 -2.00159e+00 0.00000e+00 0.00000e+00 6.53947e+00 219.038 1.90077e+02 39.038  0.8223 
1 1 1 6  10 9  o 6  2.63573e+02 1.25404e+01 1.45662e+02 250.490 -1.10932e+00 -3.13098e+00 0.00000e+00 0.00000e+00 1.48394e+02 250.490 2.73191e+00 250.490 0.8312 
1 1 1 6  10 10 o 16 3.97540e+02 1.42744e+01 2.67660e+02 359.501 1.17860e+01  -1.02572e-01 0.00000e+00 0.00000e+00 2.45203e+02 359.501 2.24569e+01 179.501 0.9566 
1 1 1 6  10 11 o 15 9.61089e+01 1.32999e+01 1.48055e+02 69.639  4.93157e-01  1.32884e+00  0.00000e+00 0.00000e+00 7.31252e+01 249.639 2.21181e+02 249.639 0.5750 
1 1 1 6  10 12 o 19 2.11349e+02 1.13735e+01 2.16048e+02 355.202 6.75579e+00  -5.67117e-01 0.00000e+00 0.00000e+00 4.99684e+01 355.202 1.66079e+02 175.202 0.9230 
1 1 1 6  10 13 o 8  1.09409e+02 1.44083e+01 7.96648e+01 136.548 -1.00641e+00 9.53450e-01  0.00000e+00 0.00000e+00 5.42929e+00 136.548 7.42355e+01 316.548 0.5668 
1 1 1 6  10 14 o 2  2.48394e+02 1.22103e+01 2.25865e+02 211.632 -6.03646e+00 -3.71836e+00 0.00000e+00 0.00000e+00 9.21187e+01 211.632 1.33747e+02 31.632  0.9265 
1 1 1 6  10 15 o 6  2.81106e+02 1.46376e+01 2.02444e+02 354.338 1.10147e+01  -1.09204e+00 0.00000e+00 0.00000e+00 1.70690e+02 354.338 3.17536e+01 174.338 0.9537 
1 1 1 6  10 16 o 18 2.92520e+02 1.32890e+01 1.60356e+02 308.367 5.27559e+00  -6.66393e+00 0.00000e+00 0.00000e+00 2.25022e+02 308.367 6.46661e+01 308.367 0.9392 
1 1 1 6  10 17 o 18 3.52509e+02 1.41122e+01 2.36456e+02 194.612 -1.59242e+01 -4.15162e+00 0.00000e+00 0.00000e+00 2.46762e+02 194.612 1.03055e+01 194.612 0.9691 
1 1 1 6  10 18 o 16 2.19633e+02 4.11096e+01 1.10890e+02 49.364  3.02608e+00  3.52604e+00  0.00000e+00 0.00000e+00 1.66323e+02 49.364  5.54338e+01 49.364  0.8845 
1 1 1 6  10 19 o 11 2.13644e+02 3.10749e+01 1.37613e+02 338.136 5.24734e+00  -2.10556e+00 0.00000e+00 0.00000e+00 1.41383e+02 338.136 3.77045e+00 338.136 0.9066 
1 1 1 6  10 20 o 6  1.76781e+02 2.54968e+01 2.30892e+02 194.689 -6.30369e+00 -1.65245e+00 0.00000e+00 0.00000e+00 5.61019e+00 194.689 2.25282e+02 14.689  0.9197 
1 1 1 6  10 21 o 1  2.04071e+02 2.32140e+01 1.42774e+02 124.602 -3.46805e+00 5.02678e+00  0.00000e+00 0.00000e+00 1.31360e+02 124.602 1.14143e+01 304.602 0.9140 
1 1 1 6  10 22 o 2  3.06062e+02 2.52831e+01 1.74585e+02 348.715 1.01576e+01  -2.02691e+00 0.00000e+00 0.00000e+00 2.57608e+02 348.715 8.30235e+01 348.715 0.9504 
1 1 1 6  10 23 o 2  2.49459e+02 4.14307e+01 1.48678e+02 235.345 -4.03803e+00 -5.84154e+00 0.00000e+00 0.00000e+00 1.98691e+02 235.345 5.00132e+01 235.345 0.9266 
1 1 1 6  10 24 o 3  1.02479e+02 3.31381e+01 9.52746e+01 332.852 2.49752e+00  -1.28067e+00 0.00000e+00 0.00000e+00 2.85535e+01 332.852 6.67211e+01 152.852 0.7946 
1 1 1 6  10 25 o 4  2.08798e+02 2.80398e+01 1.32811e+02 325.332 7.19068e+00  -4.97310e+00 0.00000e+00 0.00000e+00 1.69658e+02 325.332 3.68469e+01 325.332 0.9409 
1 1 1 6  10 26 o 9  6.58292e+01 2.87617e+01 8.17375e+01 130.179 -1.42034e+00 1.68201e+00  0.00000e+00 0.00000e+00 6.97780e+00 310.179 8.87153e+01 310.179 0.7282 
1 1 1 6  10 27 o 13 9.26463e+01 3.08839e+01 8.82272e+01 238.068 -1.90190e+00 -3.05174e+00 0.00000e+00 0.00000e+00 3.56409e+01 238.068 5.25863e+01 58.068  0.8460 
1 1 1 6  10 28 o 2  8.00367e+01 3.39899e+01 5.08903e+01 266.881 -9.81451e-02 -1.80128e+00 0.00000e+00 0.00000e+00 3.41216e+01 266.881 1.67686e+01 86.881  0.6628 
1 1 1 6  10 29 o 2  1.68095e+02 2.15403e+01 1.56808e+02 109.792 -5.09008e+00 1.41443e+01  0.00000e+00 0.00000e+00 1.07217e+02 109.792 4.95913e+01 289.792 0.9661 
1 1 1 6  10 30 o 15 8.31424e+01 3.04243e+01 4.75082e+01 101.983 -4.86177e-01 2.29062e+00  0.00000e+00 0.00000e+00 5.49224e+01 101.983 7.41417e+00 101.983 0.7466 
1 1 1 6  10 31 o 17 9.96610e+01 3.24043e+01 1.19383e+02 266.248 -5.03709e-01 -7.68151e+00 0.00000e+00 0.00000e+00 3.63579e+01 266.248 8.30255e+01 86.248  0.9326 
1 1 1 6  10 32 o 5  5.51816e+01 2.56392e+01 5.20896e+01 232.473 -1.66354e+00 -2.16587e+00 0.00000e+00 0.00000e+00 2.19361e+01 232.473 3.01535e+01 52.473  0.7880 
1 1 1 6  10 33 o 6  4.83723e+01 2.36413e+01 4.11587e+01 78.843  4.25215e-01  2.15606e+00  0.00000e+00 0.00000e+00 1.97604e+01 78.843  2.13983e+01 258.843 0.7277 
1 1 1 6  10 34 o 3  7.40364e+01 3.34401e+01 3.55141e+01 318.570 1.56454e+00  -1.38080e+00 0.00000e+00 0.00000e+00 5.72061e+01 318.570 2.16920e+01 318.570 0.7115 
1 1 1 6  10 35 o 7  6.84974e+01 3.29302e+01 2.36264e+01 57.890  7.27069e-01  1.15859e+00  0.00000e+00 0.00000e+00 4.52861e+01 57.890  2.16597e+01 57.890  0.5617 
1 1 1 6  10 36 o 7  5.68207e+01 2.74041e+01 1.03801e+01 72.608  2.09030e-01  6.67353e-01  0.00000e+00 0.00000e+00 2.37989e+01 72.608  1.34187e+01 72.608  0.3299 
1 1 1 6  10 37 o 18 4.78062e+01 2.39841e+01 2.16836e+01 274.050 1.11154e-01  -1.57002e+00 0.00000e+00 0.00000e+00 3.28229e+01 274.050 1.11393e+01 274.050 0.6139 
1 1 1 6  11 0  o 11 5.17017e+02 1.91554e+01 2.97330e+02 180.000 -5.09096e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.90177e+02 180.000 9.28465e+01 180.000 0.9999 
1 1 1 6  11 1  f 0  4.97190e+02 1.52494e+01 4.49790e+02 337.464 1.88053e+01  -7.80311e+00 0.00000e+00 0.00000e+00 1.95117e+02 337.464 2.54672e+02 157.464 0.9751 
1 1 1 6  11 2  o 5  6.31776e+02 2.16840e+01 3.30663e+02 329.554 1.60148e+01  -9.41310e+00 0.00000e+00 0.00000e+00 4.87397e+02 329.554 1.56734e+02 329.554 0.9727 
1 1 1 6  11 3  o 6  6.07380e+02 1.73744e+01 4.24419e+02 117.635 -1.05755e+01 2.01994e+01  0.00000e+00 0.00000e+00 3.67188e+02 117.635 5.72309e+01 297.634 0.9778 
1 1 1 6  11 4  o 6  4.82493e+02 1.85778e+01 2.83669e+02 91.602  -3.30532e-01 1.18198e+01  0.00000e+00 0.00000e+00 3.32697e+02 91.602  4.90274e+01 91.602  0.9567 
1 1 1 6  11 5  o 2  3.32567e+02 1.29045e+01 1.36090e+02 125.011 -2.37518e+00 3.39067e+00  0.00000e+00 0.00000e+00 2.50533e+02 125.011 1.14442e+02 125.011 0.8687 
1 1 1 6  11 6  o 15 2.39205e+02 1.20741e+01 1.67361e+02 178.740 -3.55356e+00 7.81691e-02  0.00000e+00 0.00000e+00 1.03538e+02 178.740 6.38229e+01 358.740 0.8439 
1 1 1 6  11 7  o 7  3.71323e+02 1.36060e+01 2.51779e+02 263.294 -9.67103e-01 -8.22568e+00 0.00000e+00 0.00000e+00 2.16937e+02 263.294 3.48422e+01 83.294  0.9375 
1 1 1 6  11 8  o 11 7.16789e+02 1.95895e+01 5.00759e+02 157.201 -3.73897e+01 1.57167e+01  0.00000e+00 0.00000e+00 4.55959e+02 157.201 4.48006e+01 337.201 0.9876 
1 1 1 6  11 9  o 2  3.85865e+02 1.39426e+01 2.37204e+02 105.397 -2.51967e+00 9.14927e+00  0.00000e+00 0.00000e+00 2.58116e+02 105.397 2.09122e+01 105.397 0.9457 
1 1 1 6  11 10 o 15 2.11289e+02 1.24235e+01 1.04051e+02 287.218 8.35083e-01  -2.69468e+00 0.00000e+00 0.00000e+00 1.25278e+02 287.218 2.12270e+01 287.218 0.7958 
1 1 1 6  11 11 o 15 5.28531e+02 1.41295e+01 3.29393e+02 246.039 -1.04486e+01 -2.35112e+01 0.00000e+00 0.00000e+00 3.81030e+02 246.039 5.16368e+01 246.039 0.9804 
1 1 1 6  11 12 o 12 1.34561e+02 1.26785e+01 1.58615e+02 58.925  1.77267e+00  2.94150e+00  0.00000e+00 0.00000e+00 3.18599e+00 238.925 1.61801e+02 238.925 0.8376 
1 1 1 6  11 13 o 17 1.74421e+02 1.25008e+01 5.45685e+01 22.036  1.12542e+00  4.55520e-01  0.00000e+00 0.00000e+00 7.06049e+01 22.036  1.60364e+01 22.036  0.5171 
1 1 1 6  11 14 o 15 2.14660e+02 1.24551e+01 2.16263e+01 253.881 -2.00815e-01 -6.94861e-01 0.00000e+00 0.00000e+00 8.03175e+01 253.881 5.86913e+01 253.881 0.3399 
1 1 1 6  11 15 o 4  2.47697e+02 2.14971e+01 1.62251e+02 173.433 -7.08426e+00 8.15503e-01  0.00000e+00 0.00000e+00 1.60919e+02 173.433 1.33162e+00 353.433 0.9270 
1 1 1 6  11 16 o 10 7.76355e+01 2.24031e+01 6.89966e+01 255.514 -2.58031e-01 -9.98753e-01 0.00000e+00 0.00000e+00 1.86173e+01 75.514  8.76138e+01 75.514  0.4575 
1 1 1 6  11 17 o 4  1.32919e+02 1.86021e+01 1.53471e+02 60.345  2.02421e+00  3.55538e+00  0.00000e+00 0.00000e+00 1.13573e+01 60.345  1.42114e+02 240.345 0.8669 
1 1 1 6  11 18 o 14 1.10468e+02 2.44213e+01 1.03324e+02 331.774 2.09231e+00  -1.12312e+00 0.00000e+00 0.00000e+00 1.63403e+01 331.774 8.69838e+01 151.774 0.7507 
1 1 1 6  11 19 o 1  1.36124e+02 2.11051e+01 3.81377e+01 136.303 -8.17353e-01 7.81002e-01  0.00000e+00 0.00000e+00 5.91619e+01 136.303 2.10242e+01 136.303 0.4907 
1 1 1 6  11 20 o 18 6.03343e+01 2.45872e+01 7.58544e+01 147.018 -6.64033e-01 4.30926e-01  0.00000e+00 0.00000e+00 4.32184e+01 327.018 1.19073e+02 327.018 0.3677 
1 1 1 6  11 21 o 14 1.03090e+02 2.81858e+01 1.03721e+02 229.685 -1.27232e+00 -1.49948e+00 0.00000e+00 0.00000e+00 2.33897e+00 229.685 1.01382e+02 49.685  0.6922 
1 1 1 6  11 22 o 11 2.85003e+02 5.54465e+01 1.43944e+02 237.841 -3.12360e+00 -4.96813e+00 0.00000e+00 0.00000e+00 2.45845e+02 237.841 1.01901e+02 237.841 0.9103 
1 1 1 6  11 23 o 5  1.01974e+02 3.73515e+01 4.02048e+01 141.098 -7.80680e-01 6.29965e-01  0.00000e+00 0.00000e+00 2.91422e+01 141.098 1.10626e+01 321.098 0.4475 
1 1 1 6  11 24 o 14 8.04358e+01 3.21538e+01 2.89409e+01 242.656 -2.90043e-01 -5.60884e-01 0.00000e+00 0.00000e+00 8.28544e+00 242.656 2.06555e+01 62.656  0.3010 
1 1 1 6  11 25 o 18 1.20013e+02 3.11540e+01 5.54403e+01 26.943  1.83049e+00  9.30371e-01  0.00000e+00 0.00000e+00 7.65376e+01 26.943  2.10972e+01 26.943  0.7063 
1 1 1 6  11 26 o 14 9.24458e+01 3.28543e+01 2.23821e+01 182.230 -7.65409e-01 -2.98038e-02 0.00000e+00 0.00000e+00 2.97231e+01 182.230 7.34100e+00 182.230 0.3574 
1 1 1 6  11 27 o 17 1.77007e+02 2.43931e+01 9.50725e+01 275.496 8.17482e-01  -8.49658e+00 0.00000e+00 0.00000e+00 1.70701e+02 275.496 7.56281e+01 275.496 0.9395 
1 1 1 6  11 28 o 1  1.16781e+02 3.55440e+01 4.33717e+01 17.392  1.96538e+00  6.15621e-01  0.00000e+00 0.00000e+00 9.04891e+01 17.392  4.71174e+01 17.392  0.7073 
1 1 1 6  11 29 o 1  6.33915e+01 2.64435e+01 6.12551e+01 77.310  5.52574e-01  2.45405e+00  0.00000e+00 0.00000e+00 1.86455e+01 77.310  4.26096e+01 257.310 0.7667 
1 1 1 6  11 30 o 17 5.52274e+01 2.49502e+01 3.86455e+01 160.504 -1.61881e+00 5.73109e-01  0.00000e+00 0.00000e+00 2.08358e+01 160.504 1.78098e+01 340.504 0.6454 
1 1 1 6  11 31 o 11 6.05117e+01 2.71050e+01 3.91855e+01 181.132 -2.07651e+00 -4.10147e-02 0.00000e+00 0.00000e+00 3.36186e+01 181.132 5.56685e+00 1.132   0.7100 
1 1 1 6  11 32 o 12 5.38979e+01 2.62229e+01 1.18827e+01 18.973  5.75776e-01  1.97948e-01  0.00000e+00 0.00000e+00 1.51335e+01 18.973  3.25080e+00 18.973  0.2911 
1 1 1 6  11 33 o 4  7.46044e+01 3.18769e+01 3.30790e+01 335.811 1.75196e+00  -7.86972e-01 0.00000e+00 0.00000e+00 5.62676e+01 335.811 2.31886e+01 335.811 0.6843 
1 1 1 6  11 34 o 5  5.31552e+01 2.55579e+01 2.35305e+01 61.247  6.88461e-01  1.25476e+00  0.00000e+00 0.00000e+00 3.12192e+01 61.247  7.68871e+00 61.247  0.5787 
1 1 1 6  11 35 o 18 5.99905e+01 2.83091e+01 1.99612e+01 167.469 -1.23495e+00 2.74485e-01  0.00000e+00 0.00000e+00 3.78951e+01 167.469 1.79339e+01 167.469 0.5325 
1 1 1 6  11 36 o 7  6.36021e+01 3.14484e+01 3.45465e+01 230.829 -1.31276e+00 -1.61129e+00 0.00000e+00 0.00000e+00 4.87474e+01 230.829 1.42009e+01 230.829 0.7102 
1 1 1 6  12 0  o 9  2.25372e+02 1.44411e+01 1.64674e+02 0.000   1.70588e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.19360e+02 0.000   4.53139e+01 180.000 0.9361 
1 1 1 6  12 1  o 16 1.04809e+03 2.62949e+01 4.93300e+02 133.629 -3.15576e+01 3.31047e+01  0.00000e+00 0.00000e+00 9.02546e+02 133.629 4.09246e+02 133.629 0.9890 
1 1 1 6  12 2  o 4  1.89596e+02 1.41743e+01 6.52610e+01 27.801  9.88916e-01  5.21419e-01  0.00000e+00 0.00000e+00 5.90744e+01 27.801  6.18665e+00 207.801 0.4866 
1 1 1 6  12 3  o 13 7.03262e+02 1.91302e+01 3.30177e+02 240.147 -1.01975e+01 -1.77681e+01 0.00000e+00 0.00000e+00 5.95294e+02 240.147 2.65117e+02 240.147 0.9753 
1 1 1 6  12 4  o 14 5.84215e+02 1.70023e+01 3.94168e+02 87.077  1.05764e+00  2.07110e+01  0.00000e+00 0.00000e+00 3.76239e+02 87.077  1.79288e+01 267.077 0.9756 
1 1 1 6  12 5  o 2  5.36613e+02 1.62202e+01 3.53670e+02 346.879 1.62801e+01  -3.79484e+00 0.00000e+00 0.00000e+00 3.51230e+02 346.879 2.43999e+00 166.879 0.9696 
1 1 1 6  12 6  o 1  6.52388e+02 1.83241e+01 3.82285e+02 250.999 -9.29254e+00 -2.69853e+01 0.00000e+00 0.00000e+00 4.88344e+02 250.999 1.06058e+02 250.999 0.9823 
1 1 1 6  12 7  o 9  7.11633e+02 1.95384e+01 4.02777e+02 133.085 -2.16358e+01 2.31323e+01  0.00000e+00 0.00000e+00 5.51744e+02 133.085 1.48968e+02 133.085 0.9841 
1 1 1 6  12 8  o 11 1.07399e+02 1.42654e+01 1.51217e+02 43.523  1.20012e+00  1.13980e+00  0.00000e+00 0.00000e+00 5.83201e+01 223.523 2.09537e+02 223.523 0.6322 
1 1 1 6  12 9  o 13 3.26154e+02 1.33488e+01 1.52882e+02 42.103  4.68617e+00  4.23477e+00  0.00000e+00 0.00000e+00 2.58076e+02 42.103  1.05194e+02 42.103  0.9170 
1 1 1 6  12 10 o 19 3.31546e+02 1.35979e+01 1.60752e+02 315.512 5.59452e+00  -5.49549e+00 0.00000e+00 0.00000e+00 2.66728e+02 315.512 1.05976e+02 315.512 0.9339 
1 1 1 6  12 11 o 12 2.56294e+02 1.27374e+01 1.94621e+02 145.286 -6.58778e+00 4.56396e+00  0.00000e+00 0.00000e+00 1.38113e+02 145.286 5.65085e+01 325.286 0.9354 
1 1 1 6  12 12 o 6  4.14747e+02 1.29100e+01 3.89519e+02 154.220 -1.85900e+01 8.97883e+00  0.00000e+00 0.00000e+00 1.75287e+02 154.220 2.14232e+02 334.220 0.9755 
1 1 1 6  12 13 o 14 1.70923e+02 1.28579e+01 1.37726e+02 317.322 2.71028e+00  -2.49907e+00 0.00000e+00 0.00000e+00 6.64501e+01 317.322 7.12763e+01 137.322 0.8503 
1 1 1 6  12 14 o 3  4.63972e+02 1.61955e+01 3.47593e+02 332.800 2.63406e+01  -1.35373e+01 0.00000e+00 0.00000e+00 2.97508e+02 332.800 5.00859e+01 152.800 0.9830 
1 1 1 6  12 15 o 2  1.73104e+02 1.72546e+01 3.28528e+01 240.662 -5.43150e-01 -9.66370e-01 0.00000e+00 0.00000e+00 8.64097e+01 240.662 5.35569e+01 240.662 0.4835 
1 1 1 6  12 16 o 5  1.87660e+02 2.70174e+01 9.51615e+01 113.326 -1.36132e+00 3.15700e+00  0.00000e+00 0.00000e+00 1.30615e+02 113.326 3.54531e+01 113.326 0.8378 
1 1 1 6  12 17 o 15 1.76513e+02 1.67069e+01 7.61480e+01 258.539 -5.92577e-01 -2.92291e+00 0.00000e+00 0.00000e+00 1.30548e+02 258.539 5.44001e+01 258.539 0.8087 
1 1 1 6  12 18 o 15 1.33606e+02 2.13164e+01 3.34425e+01 23.009  8.45611e-01  3.59106e-01  0.00000e+00 0.00000e+00 4.79181e+01 23.009  1.44757e+01 23.009  0.4168 
1 1 1 6  12 19 o 9  2.44760e+02 3.06908e+01 2.22498e+02 169.415 -8.23576e+00 1.53906e+00  0.00000e+00 0.00000e+00 1.16142e+02 169.415 1.06356e+02 349.415 0.9383 
1 1 1 6  12 20 o 9  8.14412e+01 2.73368e+01 4.40167e+01 245.012 -3.07230e-01 -6.59228e-01 0.00000e+00 0.00000e+00 2.59416e+00 65.012  4.66109e+01 65.012  0.3416 
1 1 1 6  12 21 o 10 8.32427e+01 2.77788e+01 8.43207e+01 337.574 1.23604e+00  -5.10107e-01 0.00000e+00 0.00000e+00 1.50295e+01 157.574 9.93502e+01 157.574 0.5532 
1 1 1 6  12 22 o 9  1.45872e+02 2.67309e+01 9.99197e+01 112.317 -1.43271e+00 3.49034e+00  0.00000e+00 0.00000e+00 8.96031e+01 112.317 1.03166e+01 292.317 0.8542 
1 1 1 6  12 23 o 3  3.03924e+02 3.51021e+01 1.54264e+02 151.329 -1.15183e+01 6.29847e+00  0.00000e+00 0.00000e+00 2.95114e+02 151.329 1.40850e+02 151.329 0.9611 
1 1 1 6  12 24 o 3  3.53403e+02 4.24833e+01 1.78682e+02 310.621 1.04149e+01  -1.21423e+01 0.00000e+00 0.00000e+00 3.53988e+02 310.621 1.75305e+02 310.621 0.9682 
1 1 1 6  12 25 o 14 1.41863e+02 2.90841e+01 9.11395e+01 135.777 -3.78774e+00 3.68632e+00  0.00000e+00 0.00000e+00 1.10003e+02 135.777 1.88631e+01 135.777 0.8996 
1 1 1 6  12 26 o 12 1.86769e+02 2.46252e+01 8.42367e+01 241.775 -3.08819e+00 -5.75337e+00 0.00000e+00 0.00000e+00 1.90047e+02 241.775 1.05810e+02 241.775 0.9199 
1 1 1 6  12 27 o 17 1.57174e+02 2.56858e+01 6.95882e+01 302.535 3.18231e+00  -4.98853e+00 0.00000e+00 0.00000e+00 1.62095e+02 302.535 9.25066e+01 302.535 0.9111 
1 1 1 6  12 28 o 6  1.20360e+02 2.84686e+01 8.96187e+01 122.249 -2.84663e+00 4.51185e+00  0.00000e+00 0.00000e+00 8.82142e+01 122.249 1.40458e+00 302.249 0.9006 
1 1 1 6  12 29 o 19 6.68298e+01 2.74166e+01 6.35965e+01 252.560 -8.29748e-01 -2.64131e+00 0.00000e+00 0.00000e+00 2.44172e+01 252.560 3.91794e+01 72.560  0.7913 
1 1 1 6  12 30 o 15 6.67178e+01 3.07158e+01 4.78688e+01 295.671 9.52439e-01  -1.98160e+00 0.00000e+00 0.00000e+00 3.41611e+01 295.671 1.37077e+01 115.671 0.7278 
1 1 1 6  12 31 o 11 6.22233e+01 2.74644e+01 3.63944e+01 37.259  1.62150e+00  1.23341e+00  0.00000e+00 0.00000e+00 3.87303e+01 37.259  2.33590e+00 37.259  0.7038 
1 1 1 6  12 32 o 9  7.32301e+01 3.06082e+01 1.45681e+01 27.705  7.55941e-01  3.96968e-01  0.00000e+00 0.00000e+00 3.54917e+01 27.705  2.09235e+01 27.705  0.3922 
1 1 1 6  12 33 o 2  5.56446e+01 2.61243e+01 2.47427e+01 313.809 1.08791e+00  -1.13411e+00 0.00000e+00 0.00000e+00 3.57234e+01 313.809 1.09807e+01 313.809 0.6133 
1 1 1 6  12 34 o 14 6.65963e+01 3.01552e+01 1.73069e+01 81.731  1.53960e-01  1.05943e+00  0.00000e+00 0.00000e+00 3.91936e+01 81.731  2.18867e+01 81.731  0.4708 
1 1 1 6  12 35 o 14 4.62708e+01 2.30266e+01 1.71331e+01 96.185  -1.30595e-01 1.20510e+00  0.00000e+00 0.00000e+00 2.66892e+01 96.185  9.55616e+00 96.185  0.5165 
1 1 1 6  12 36 o 2  4.54515e+01 2.33059e+01 1.27100e+01 304.465 5.18682e-01  -7.55680e-01 0.00000e+00 0.00000e+00 2.25884e+01 304.465 9.87836e+00 304.465 0.4160 
1 1 1 6  13 0  o 12 6.90012e+02 2.32038e+01 6.13822e+02 0.000   1.85732e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.27582e+02 0.000   2.86240e+02 180.000 1.0000 
1 1 1 6  13 1  o 17 5.35462e+01 1.51980e+01 1.61659e+02 334.737 6.86383e-01  -3.23914e-01 0.00000e+00 0.00000e+00 1.35751e+02 154.737 2.97410e+02 154.737 0.3545 
1 1 1 6  13 2  o 17 5.58139e+02 2.01374e+01 4.00884e+02 154.026 -1.73228e+01 8.43924e+00  0.00000e+00 0.00000e+00 3.41319e+02 154.026 5.95650e+01 334.026 0.9737 
1 1 1 6  13 3  o 13 3.64514e+02 1.33806e+01 2.24619e+02 328.238 8.07609e+00  -5.00004e+00 0.00000e+00 0.00000e+00 2.46811e+02 328.238 2.21927e+01 328.238 0.9458 
1 1 1 6  13 4  o 7  2.25623e+02 1.20231e+01 6.44189e+01 238.740 -8.62361e-01 -1.42059e+00 0.00000e+00 0.00000e+00 1.31429e+02 238.740 6.70098e+01 238.740 0.6337 
1 1 1 6  13 5  o 16 7.82476e+01 1.98326e+01 8.74587e+01 67.287  2.73621e-01  6.53692e-01  0.00000e+00 0.00000e+00 5.15988e+01 247.287 1.39058e+02 247.287 0.3338 
1 1 1 6  13 6  o 17 2.72116e+02 1.50437e+01 1.17650e+02 148.563 -2.79063e+00 1.70591e+00  0.00000e+00 0.00000e+00 1.92616e+02 148.563 7.49654e+01 148.563 0.8282 
1 1 1 6  13 7  o 17 6.63853e+02 1.86721e+01 3.83144e+02 134.404 -2.24939e+01 2.29669e+01  0.00000e+00 0.00000e+00 5.19454e+02 134.404 1.36310e+02 134.404 0.9843 
1 1 1 6  13 8  o 7  2.80287e+02 1.31082e+01 1.82988e+02 339.966 7.24734e+00  -2.64274e+00 0.00000e+00 0.00000e+00 1.79496e+02 339.966 3.49166e+00 159.966 0.9327 
1 1 1 6  13 9  o 9  5.55265e+02 1.69014e+01 3.85583e+02 251.955 -9.52833e+00 -2.92468e+01 0.00000e+00 0.00000e+00 3.74940e+02 251.955 1.06429e+01 71.955  0.9836 
1 1 1 6  13 10 o 8  9.35617e+01 1.73433e+01 2.45306e+02 106.553 -1.02547e+00 3.45026e+00  0.00000e+00 0.00000e+00 1.34540e+02 286.553 3.79846e+02 286.553 0.8461 
1 1 1 6  13 11 o 17 2.31691e+02 1.17220e+01 1.06750e+02 119.815 -1.56858e+00 2.73723e+00  0.00000e+00 0.00000e+00 1.60749e+02 119.815 5.39996e+01 119.815 0.8208 
1 1 1 6  13 12 o 14 1.10637e+02 1.46967e+01 1.30850e+02 331.262 2.51374e+00  -1.37841e+00 0.00000e+00 0.00000e+00 5.68487e+00 151.262 1.36535e+02 151.262 0.7996 
1 1 1 6  13 13 o 19 1.11023e+02 1.60241e+01 1.20849e+02 348.394 2.42217e+00  -4.97475e-01 0.00000e+00 0.00000e+00 4.02551e-01 168.394 1.21252e+02 168.394 0.7620 
1 1 1 6  13 14 o 4  1.71416e+02 3.21296e+01 1.13854e+02 139.190 -2.62530e+00 2.26687e+00  0.00000e+00 0.00000e+00 9.24123e+01 139.190 2.14418e+01 319.190 0.8394 
1 1 1 6  13 15 o 13 1.26121e+02 1.74080e+01 3.62316e+01 130.291 -6.09711e-01 7.19175e-01  0.00000e+00 0.00000e+00 4.13083e+01 130.291 5.07667e+00 130.291 0.4258 
1 1 1 6  13 16 o 3  1.17935e+02 2.00139e+01 1.13233e+02 264.579 -2.91978e-01 -3.07689e+00 0.00000e+00 0.00000e+00 2.69007e+01 264.579 8.63319e+01 84.579  0.8165 
1 1 1 6  13 17 o 12 2.58655e+02 1.84056e+01 9.75791e+01 244.513 -2.30146e+00 -4.82783e+00 0.00000e+00 0.00000e+00 2.44367e+02 244.513 1.46788e+02 244.513 0.9009 
1 1 1 6  13 18 o 8  2.51884e+02 4.23495e+01 2.31197e+02 148.006 -7.01063e+00 4.37978e+00  0.00000e+00 0.00000e+00 1.18370e+02 148.006 1.12828e+02 328.006 0.9374 
1 1 1 6  13 19 o 11 7.15125e+01 2.62017e+01 1.54422e+01 49.241  1.49803e-01  1.73797e-01  0.00000e+00 0.00000e+00 3.26213e+00 229.241 1.87043e+01 229.241 0.1140 
1 1 1 6  13 20 o 5  1.51460e+02 2.25895e+01 1.22646e+02 304.344 2.10825e+00  -3.08548e+00 0.00000e+00 0.00000e+00 7.22326e+01 304.344 5.04136e+01 124.344 0.8526 
1 1 1 6  13 21 o 6  5.41181e+01 2.40599e+01 5.44113e+01 93.110  -3.73284e-02 6.87056e-01  0.00000e+00 0.00000e+00 2.75791e+01 273.110 8.19904e+01 273.110 0.3252 
1 1 1 6  13 22 o 14 1.41742e+02 5.72398e+01 1.45605e+02 69.851  1.28248e+00  3.49528e+00  0.00000e+00 0.00000e+00 4.05369e+01 69.851  1.05069e+02 249.851 0.8520 
1 1 1 6  13 23 o 15 1.49406e+02 2.85438e+01 1.15350e+02 267.212 -2.38677e-01 -4.90138e+00 0.00000e+00 0.00000e+00 9.22322e+01 267.212 2.31178e+01 87.212  0.8912 
1 1 1 6  13 24 o 13 1.09785e+02 3.70365e+01 7.62899e+01 125.392 -1.62449e+00 2.28656e+00  0.00000e+00 0.00000e+00 6.13085e+01 125.392 1.49814e+01 305.392 0.7945 
1 1 1 6  13 25 o 11 1.62550e+02 4.36607e+01 1.10193e+02 195.981 -5.13053e+00 -1.46935e+00 0.00000e+00 0.00000e+00 1.23644e+02 195.981 1.34508e+01 195.981 0.9006 
1 1 1 6  13 26 o 12 9.71262e+01 3.90629e+01 1.31327e+02 296.782 2.11683e+00  -4.19387e+00 0.00000e+00 0.00000e+00 7.87922e+00 296.782 1.23448e+02 116.782 0.8859 
1 1 1 6  13 27 o 10 1.11687e+02 4.56569e+01 8.91068e+01 89.090  5.05121e-02  3.18100e+00  0.00000e+00 0.00000e+00 6.15279e+01 89.090  2.75789e+01 269.090 0.8226 
1 1 1 6  13 28 o 15 9.91031e+01 4.05275e+01 1.38595e+02 123.627 -3.13167e+00 4.70867e+00  0.00000e+00 0.00000e+00 1.07894e+01 123.627 1.27806e+02 303.627 0.9066 
1 1 1 6  13 29 o 5  1.28387e+02 2.80154e+01 8.74099e+01 253.191 -2.16684e+00 -7.17277e+00 0.00000e+00 0.00000e+00 1.14117e+02 253.191 2.67074e+01 253.191 0.9307 
1 1 1 6  13 30 o 6  5.90243e+01 2.67388e+01 7.15890e+01 254.681 -9.12223e-01 -3.33020e+00 0.00000e+00 0.00000e+00 1.31481e+01 254.681 5.84409e+01 74.681  0.8386 
1 1 1 6  13 31 o 7  6.21250e+01 2.75573e+01 4.95733e+01 29.597  2.40523e+00  1.36619e+00  0.00000e+00 0.00000e+00 3.58665e+01 29.597  1.37068e+01 209.597 0.7911 
1 1 1 6  13 32 o 8  8.21508e+01 3.23140e+01 3.13390e+01 322.370 1.55406e+00  -1.19809e+00 0.00000e+00 0.00000e+00 6.89974e+01 322.370 3.76584e+01 322.370 0.6915 
1 1 1 6  13 33 o 5  6.56097e+01 2.92858e+01 1.93783e+01 107.711 -3.66911e-01 1.14889e+00  0.00000e+00 0.00000e+00 4.12491e+01 107.711 2.18707e+01 107.711 0.5147 
1 1 1 6  13 34 o 18 6.73615e+01 3.04324e+01 2.26605e+01 175.646 -1.43185e+00 1.09029e-01  0.00000e+00 0.00000e+00 4.86730e+01 175.646 2.60124e+01 175.646 0.5799 
1 1 1 6  13 35 o 14 5.15272e+01 2.52444e+01 1.46677e+01 237.111 -5.48276e-01 -8.47875e-01 0.00000e+00 0.00000e+00 2.84001e+01 237.111 1.37324e+01 237.111 0.4498 
1 1 1 6  14 0  o 17 2.32603e+02 2.10926e+01 4.63643e+01 0.000   5.60801e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.17369e+02 0.000   7.10052e+01 0.000   0.5086 
1 1 1 6  14 1  o 3  3.50524e+02 1.31054e+01 1.32568e+02 7.618   4.79657e+00  6.41524e-01  0.00000e+00 0.00000e+00 2.99103e+02 7.618   1.66535e+02 7.618   0.8895 
1 1 1 6  14 2  o 2  7.63074e+02 1.76690e+01 5.81686e+02 265.242 -3.76990e+00 -4.52938e+01 0.00000e+00 0.00000e+00 4.63863e+02 265.242 1.17822e+02 85.242  0.9889 
1 1 1 6  14 3  o 18 3.56323e+02 1.33655e+01 3.60561e+02 72.315  3.98903e+00  1.25110e+01  0.00000e+00 0.00000e+00 1.14539e+02 72.315  2.46022e+02 252.315 0.9611 
1 1 1 6  14 4  o 6  2.68476e+02 1.25321e+01 1.45539e+02 102.219 -1.07420e+00 4.96053e+00  0.00000e+00 0.00000e+00 1.88428e+02 102.219 4.28883e+01 102.219 0.8951 
1 1 1 6  14 5  o 13 3.17521e+02 1.31148e+01 2.54709e+02 181.543 -1.02863e+01 -2.77059e-01 0.00000e+00 0.00000e+00 1.65483e+02 181.543 8.92264e+01 1.543   0.9501 
1 1 1 6  14 6  o 13 4.33426e+02 1.46871e+01 1.98869e+02 43.681  9.33186e+00  8.91173e+00  0.00000e+00 0.00000e+00 3.82559e+02 43.681  1.83690e+02 43.681  0.9604 
1 1 1 6  14 7  o 10 4.07870e+02 1.44973e+01 1.96132e+02 359.106 1.16725e+01  -1.82153e-01 0.00000e+00 0.00000e+00 3.50368e+02 359.106 1.54236e+02 359.106 0.9562 
1 1 1 6  14 8  o 2  3.06056e+02 1.34021e+01 1.35235e+02 64.180  2.90990e+00  6.01416e+00  0.00000e+00 0.00000e+00 2.61603e+02 64.180  1.26368e+02 64.180  0.9218 
1 1 1 6  14 9  f 0  2.56952e+02 1.32810e+01 1.84628e+02 174.641 -6.13903e+00 5.75870e-01  0.00000e+00 0.00000e+00 1.47458e+02 174.641 3.71705e+01 354.641 0.9149 
1 1 1 6  14 10 o 2  3.62459e+02 1.44070e+01 1.93397e+02 175.793 -1.12007e+01 8.23880e-01  0.00000e+00 0.00000e+00 2.97630e+02 175.793 1.04233e+02 175.793 0.9544 
1 1 1 6  14 11 o 15 2.50738e+02 1.38967e+01 1.36153e+02 301.561 3.52500e+00  -5.73854e+00 0.00000e+00 0.00000e+00 1.93898e+02 301.561 5.77450e+01 301.561 0.9224 
1 1 1 6  14 12 o 3  1.80207e+02 1.26230e+01 2.13338e+02 357.585 7.14802e+00  -3.01503e-01 0.00000e+00 0.00000e+00 2.64874e+01 357.585 1.86850e+02 177.585 0.9272 
1 1 1 6  14 13 o 4  1.48003e+02 1.44126e+01 6.36997e+01 222.766 -1.41383e+00 -1.30765e+00 0.00000e+00 0.00000e+00 8.27792e+01 222.766 1.90795e+01 222.766 0.6852 
1 1 1 6  14 15 o 10 5.74165e+01 2.10388e+01 1.46349e+02 51.967  1.19628e+00  1.52935e+00  0.00000e+00 0.00000e+00 8.84850e+01 231.967 2.34834e+02 231.967 0.6880 
1 1 1 6  14 17 o 17 1.24492e+02 4.53728e+01 1.12161e+02 142.804 -1.54757e+00 1.17448e+00  0.00000e+00 0.00000e+00 1.53793e+01 142.804 9.67812e+01 322.804 0.6881 
1 1 1 6  14 18 o 1  2.13304e+02 1.68184e+01 9.48758e+01 129.140 -2.31744e+00 2.84759e+00  0.00000e+00 0.00000e+00 1.77306e+02 129.140 8.24300e+01 129.140 0.8496 
1 1 1 6  14 19 o 11 1.52655e+02 2.25231e+01 5.62635e+01 157.014 -1.52800e+00 6.48150e-01  0.00000e+00 0.00000e+00 9.02825e+01 157.014 3.40190e+01 157.014 0.6332 
1 1 1 6  14 20 o 7  6.30865e+01 2.53573e+01 2.42671e+01 45.521  2.10357e-01  2.14217e-01  0.00000e+00 0.00000e+00 9.92892e+00 225.521 3.41960e+01 225.521 0.1484 
1 1 1 6  14 21 o 9  1.62842e+02 2.73993e+01 1.28325e+02 117.809 -2.49488e+00 4.73023e+00  0.00000e+00 0.00000e+00 9.86075e+01 117.809 2.97173e+01 297.809 0.9009 
1 1 1 6  14 22 o 9  1.54326e+02 5.01596e+01 8.05177e+01 224.508 -1.84839e+00 -1.81692e+00 0.00000e+00 0.00000e+00 1.06426e+02 224.508 2.59081e+01 224.508 0.7746 
1 1 1 6  14 23 o 10 1.28882e+02 2.87079e+01 1.34187e+02 342.088 5.35213e+00  -1.72994e+00 0.00000e+00 0.00000e+00 5.05170e+01 342.088 8.36700e+01 162.088 0.9061 
1 1 1 6  14 24 o 12 1.87371e+02 3.00903e+01 9.84211e+01 77.756  1.56744e+00  7.22286e+00  0.00000e+00 0.00000e+00 1.80369e+02 77.756  8.19477e+01 77.756  0.9297 
1 1 1 6  14 25 o 19 1.61239e+02 2.48508e+01 8.44804e+01 237.487 -3.67734e+00 -5.76934e+00 0.00000e+00 0.00000e+00 1.56860e+02 237.487 7.23794e+01 237.487 0.9237 
1 1 1 6  14 26 o 7  4.95082e+01 2.32366e+01 2.04629e+01 278.532 8.94183e-02  -5.96013e-01 0.00000e+00 0.00000e+00 2.97601e+00 278.532 1.74868e+01 98.532  0.2884 
1 1 1 6  14 27 o 6  9.33282e+01 3.38954e+01 6.17653e+01 135.544 -1.78960e+00 1.75591e+00  0.00000e+00 0.00000e+00 5.71186e+01 135.544 4.64667e+00 315.544 0.7658 
1 1 1 6  14 28 o 10 8.03164e+01 2.89519e+01 7.05541e+01 182.766 -3.52343e+00 -1.70246e-01 0.00000e+00 0.00000e+00 4.35819e+01 182.766 2.69722e+01 2.766   0.8425 
1 1 1 6  14 29 o 8  4.10030e+01 2.01419e+01 3.74890e+01 57.394  8.32595e-01  1.30159e+00  0.00000e+00 0.00000e+00 5.10434e+00 57.394  3.23847e+01 237.394 0.6071 
1 1 1 6  14 30 o 12 5.07804e+01 2.39215e+01 2.24895e+01 0.431   1.19521e+00  8.98236e-03  0.00000e+00 0.00000e+00 2.26041e+01 0.431   1.14600e-01 0.431   0.5113 
1 1 1 6  14 31 o 14 6.78775e+01 2.95198e+01 4.42388e+01 227.786 -1.68761e+00 -1.86024e+00 0.00000e+00 0.00000e+00 4.74933e+01 227.786 3.25456e+00 227.786 0.7663 
1 1 1 6  14 32 o 5  7.13136e+01 3.07603e+01 2.51368e+01 315.806 1.09292e+00  -1.06257e+00 0.00000e+00 0.00000e+00 5.18026e+01 315.806 2.66657e+01 315.806 0.6021 
1 1 1 6  14 33 o 5  5.30845e+01 2.55618e+01 2.56142e+01 80.480  2.64986e-01  1.58013e+00  0.00000e+00 0.00000e+00 3.43754e+01 80.480  8.76120e+00 80.480  0.6204 
1 1 1 6  14 34 o 10 5.60346e+01 2.67124e+01 2.75651e+01 50.350  1.19729e+00  1.44471e+00  0.00000e+00 0.00000e+00 4.26492e+01 50.350  1.50841e+01 50.350  0.6764 
1 1 1 6  14 35 o 3  5.20468e+01 2.54130e+01 1.51520e+01 295.834 4.70647e-01  -9.72123e-01 0.00000e+00 0.00000e+00 3.13574e+01 295.834 1.62054e+01 295.834 0.4740 
1 1 1 6  15 0  o 2  3.79027e+02 2.37924e+01 2.99131e+02 180.000 -8.52813e+00 -0.00000e+00 0.00000e+00 0.00000e+00 2.33659e+02 180.000 6.54728e+01 0.000   1.0000 
1 1 1 6  15 1  o 3  1.27069e+02 1.24312e+01 2.30224e+02 205.849 -4.00687e+00 -1.94119e+00 0.00000e+00 0.00000e+00 7.31942e+01 25.849  3.03418e+02 25.849  0.8789 
1 1 1 6  15 2  o 16 4.84142e+02 1.32301e+01 3.52347e+02 10.095  2.53476e+01  4.51289e+00  0.00000e+00 0.00000e+00 3.15524e+02 10.095  3.68228e+01 190.095 0.9804 
1 1 1 6  15 3  o 5  6.64933e+02 1.86370e+01 4.24706e+02 134.156 -2.88682e+01 2.97315e+01  0.00000e+00 0.00000e+00 5.00727e+02 134.156 7.60202e+01 134.156 0.9879 
1 1 1 6  15 4  o 4  4.01979e+02 1.42096e+01 2.29288e+02 215.686 -1.09990e+01 -7.89949e+00 0.00000e+00 0.00000e+00 3.16682e+02 215.686 8.73943e+01 215.686 0.9623 
1 1 1 6  15 5  o 13 3.14636e+02 1.69304e+01 2.98954e+02 337.891 1.41380e+01  -5.74352e+00 0.00000e+00 0.00000e+00 1.31282e+02 337.891 1.67672e+02 157.891 0.9667 
1 1 1 6  15 6  o 8  6.08622e+01 1.80471e+01 6.81288e+01 313.464 4.51351e-01  -4.76216e-01 0.00000e+00 0.00000e+00 4.12285e+01 133.464 1.09357e+02 133.464 0.3116 
1 1 1 6  15 7  o 14 5.31360e+02 1.65402e+01 2.81055e+02 277.924 2.66346e+00  -1.91344e+01 0.00000e+00 0.00000e+00 4.55312e+02 277.924 1.74257e+02 277.924 0.9738 
1 1 1 6  15 8  o 3  4.56838e+01 1.78763e+01 6.73454e+01 77.964  1.02612e-01  4.81253e-01  0.00000e+00 0.00000e+00 5.17559e+01 257.964 1.19101e+02 257.964 0.2389 
1 1 1 6  15 9  o 6  2.06876e+02 1.90297e+01 2.17947e+02 108.043 -2.73667e+00 8.40125e+00  0.00000e+00 0.00000e+00 6.15174e+01 108.043 1.56430e+02 288.043 0.9416 
1 1 1 6  15 10 o 6  1.74123e+02 3.50526e+01 1.76535e+02 126.190 -3.01438e+00 4.12015e+00  0.00000e+00 0.00000e+00 4.83128e+01 126.190 1.28222e+02 306.190 0.8958 
1 1 1 6  15 11 o 4  1.04965e+02 1.83134e+01 1.10576e+02 336.517 2.13405e+00  -9.27160e-01 0.00000e+00 0.00000e+00 2.71643e+00 336.517 1.07859e+02 156.517 0.7448 
1 1 1 6  15 12 o 2  1.23727e+02 1.54986e+01 5.19757e+01 21.039  1.21370e+00  4.66841e-01  0.00000e+00 0.00000e+00 4.59160e+01 21.039  6.05970e+00 201.039 0.5428 
1 1 1 6  15 13 o 13 1.80732e+02 1.41693e+01 1.70140e+02 270.308 3.46797e-02  -6.45101e+00 0.00000e+00 0.00000e+00 7.34568e+01 270.308 9.66828e+01 90.308  0.9188 
1 1 1 6  15 14 o 10 1.20065e+02 3.37320e+01 5.86943e+01 136.047 -1.00206e+00 9.66075e-01  0.00000e+00 0.00000e+00 4.20713e+01 136.047 1.66231e+01 316.047 0.5683 
1 1 1 6  15 15 f 0  1.45683e+02 3.45429e+01 1.40085e+02 170.675 -3.79930e+00 6.23866e-01  0.00000e+00 0.00000e+00 4.57690e+01 170.675 9.43164e+01 350.675 0.8575 
1 1 1 6  15 16 o 17 2.06000e+02 2.03906e+01 5.42648e+01 46.235  1.30404e+00  1.36151e+00  0.00000e+00 0.00000e+00 1.55156e+02 46.235  1.00892e+02 46.235  0.6780 
1 1 1 6  15 17 o 17 7.44076e+01 2.54039e+01 9.28632e+01 16.942  1.15124e+00  3.50688e-01  0.00000e+00 0.00000e+00 3.50542e+01 196.942 1.27917e+02 196.942 0.5139 
1 1 1 6  15 18 o 18 1.87318e+02 4.11394e+01 9.96409e+01 335.894 2.82518e+00  -1.26414e+00 0.00000e+00 0.00000e+00 1.33733e+02 335.894 3.40923e+01 335.894 0.8168 
1 1 1 6  15 19 o 19 6.67466e+01 2.56366e+01 1.75538e+01 285.256 6.09680e-02  -2.23532e-01 0.00000e+00 0.00000e+00 5.72763e+00 105.256 2.32814e+01 105.256 0.1151 
1 1 1 6  15 20 o 1  1.90984e+02 5.35735e+01 1.90360e+02 99.341  -1.07027e+00 6.50686e+00  0.00000e+00 0.00000e+00 8.30467e+01 99.341  1.07313e+02 279.341 0.9207 
1 1 1 6  15 21 o 1  1.01035e+02 3.66424e+01 4.20305e+01 197.731 -1.11171e+00 -3.55458e-01 0.00000e+00 0.00000e+00 3.77287e+01 197.731 4.30182e+00 17.731  0.5025 
1 1 1 6  15 22 o 17 8.37263e+01 3.81992e+01 1.37917e+02 315.834 2.26670e+00  -2.20167e+00 0.00000e+00 0.00000e+00 2.87289e+01 135.834 1.66646e+02 135.834 0.8211 
1 1 1 6  15 23 o 8  9.13022e+01 3.02212e+01 8.92465e+00 220.320 -2.50994e-01 -2.13006e-01 0.00000e+00 0.00000e+00 1.48935e+01 220.320 5.96886e+00 220.320 0.1624 
1 1 1 6  15 24 o 7  1.71163e+02 3.05481e+01 5.93486e+01 216.545 -3.09342e+00 -2.29280e+00 0.00000e+00 0.00000e+00 1.79224e+02 216.545 1.19876e+02 216.545 0.8575 
1 1 1 6  15 25 o 16 9.12177e+01 2.92157e+01 3.34339e+01 312.095 1.03083e+00  -1.14102e+00 0.00000e+00 0.00000e+00 5.74311e+01 312.095 2.39972e+01 312.095 0.6053 
1 1 1 6  15 26 o 15 1.31152e+02 3.22454e+01 1.35479e+02 134.660 -5.48822e+00 5.55384e+00  0.00000e+00 0.00000e+00 6.86220e+01 134.660 6.68573e+01 314.660 0.9336 
1 1 1 6  15 27 o 10 8.94085e+01 2.91003e+01 8.90141e+01 120.664 -2.43958e+00 4.11459e+00  0.00000e+00 0.00000e+00 4.51291e+01 120.664 4.38850e+01 300.664 0.8881 
1 1 1 6  15 28 o 19 8.40268e+01 3.11875e+01 1.03357e+02 298.517 2.69280e+00  -4.95610e+00 0.00000e+00 0.00000e+00 2.71027e+01 298.517 7.62548e+01 118.517 0.9064 
1 1 1 6  15 29 o 17 6.50923e+01 2.81944e+01 3.26347e+01 227.531 -1.19830e+00 -1.30915e+00 0.00000e+00 0.00000e+00 4.16927e+01 227.531 9.05802e+00 227.531 0.6571 
1 1 1 6  15 30 o 9  7.39089e+01 3.01009e+01 6.44084e+01 63.636  1.69546e+00  3.42087e+00  0.00000e+00 0.00000e+00 4.71992e+01 63.636  1.72092e+01 243.636 0.8561 
1 1 1 6  15 31 o 4  6.20493e+01 2.80391e+01 2.31522e+01 317.011 9.65060e-01  -8.99601e-01 0.00000e+00 0.00000e+00 3.77742e+01 317.011 1.46220e+01 317.011 0.5482 
1 1 1 6  15 32 o 5  6.08886e+01 2.81737e+01 3.54915e+01 137.249 -1.58276e+00 1.46313e+00  0.00000e+00 0.00000e+00 4.44800e+01 137.249 8.98843e+00 137.249 0.7217 
1 1 1 6  15 33 o 2  5.60167e+01 2.67467e+01 1.17566e+01 128.347 -4.70780e-01 5.95100e-01  0.00000e+00 0.00000e+00 2.49766e+01 128.347 1.32200e+01 128.347 0.3545 
1 1 1 6  15 34 o 4  5.26129e+01 2.55489e+01 3.43901e+01 270.085 3.47600e-03  -2.35533e+00 0.00000e+00 0.00000e+00 3.96825e+01 270.085 5.29241e+00 270.085 0.7483 
1 1 1 6  15 35 o 1  4.15625e+01 2.10080e+01 2.47855e+01 271.476 4.88459e-02  -1.89593e+00 0.00000e+00 0.00000e+00 2.93246e+01 271.476 4.53906e+00 271.476 0.6800 
1 1 1 6  16 0  f 0  3.32918e+01 2.07148e+01 8.92631e+01 0.000   2.39926e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.80622e+01 180.000 1.67325e+02 180.000 0.2354 
1 1 1 6  16 1  o 18 1.40445e+02 1.26295e+01 5.32873e+01 333.774 1.08894e+00  -5.36440e-01 0.00000e+00 0.00000e+00 5.05194e+01 333.774 2.76786e+00 153.774 0.5171 
1 1 1 6  16 2  f 0  5.25954e+02 1.39429e+01 4.41388e+02 85.853  2.24136e+00  3.09107e+01  0.00000e+00 0.00000e+00 2.98773e+02 85.853  1.42614e+02 265.853 0.9837 
1 1 1 6  16 3  o 17 2.15094e+02 1.27445e+01 1.83167e+02 154.143 -4.70413e+00 2.27986e+00  0.00000e+00 0.00000e+00 9.36214e+01 154.143 8.95461e+01 334.143 0.8984 
1 1 1 6  16 4  o 17 2.10131e+02 1.30825e+01 1.28809e+02 323.127 2.83443e+00  -2.12608e+00 0.00000e+00 0.00000e+00 1.25466e+02 323.127 3.34300e+00 143.127 0.8433 
1 1 1 6  16 5  o 1  5.15054e+01 1.77472e+01 5.35565e+01 48.138  2.98311e-01  3.32918e-01  0.00000e+00 0.00000e+00 3.74010e+01 228.138 9.09576e+01 228.138 0.2181 
1 1 1 6  16 6  o 16 3.18409e+02 1.15422e+01 2.28285e+02 201.590 -1.09795e+01 -4.34483e+00 0.00000e+00 0.00000e+00 2.11008e+02 201.590 1.72767e+01 21.590  0.9567 
1 1 1 6  16 7  o 10 1.08592e+02 1.60974e+01 8.02580e+01 145.680 -1.43265e+00 9.78035e-01  0.00000e+00 0.00000e+00 2.17160e+01 145.680 5.85420e+01 325.680 0.6490 
1 1 1 6  16 8  o 17 9.02609e+01 1.96961e+01 1.50431e+02 266.976 -1.33212e-01 -2.52195e+00 0.00000e+00 0.00000e+00 4.97879e+01 86.976  2.00219e+02 86.976  0.7677 
1 1 1 6  16 9  o 15 8.03146e+01 2.17951e+01 4.58938e+01 102.219 -1.55238e-01 7.16861e-01  0.00000e+00 0.00000e+00 5.58376e+00 282.219 5.14776e+01 282.219 0.3441 
1 1 1 6  16 10 o 18 1.33406e+02 2.79363e+01 7.12241e+01 16.912  1.73173e+00  5.26529e-01  0.00000e+00 0.00000e+00 5.85955e+01 16.912  1.26286e+01 196.912 0.6640 
1 1 1 6  16 11 o 10 2.68191e+02 1.50066e+01 7.46713e+01 79.077  8.12050e-01  4.20778e+00  0.00000e+00 0.00000e+00 2.70556e+02 79.077  1.95885e+02 79.077  0.8737 
1 1 1 6  16 12 o 5  4.75126e+02 1.68870e+01 2.41801e+02 121.557 -1.46802e+01 2.39026e+01  0.00000e+00 0.00000e+00 4.49647e+02 121.557 2.07846e+02 121.557 0.9820 
1 1 1 6  16 13 o 3  1.72830e+02 1.94723e+01 3.93409e+01 62.182  7.01878e-01  1.33022e+00  0.00000e+00 0.00000e+00 1.14567e+02 62.182  7.52260e+01 62.182  0.5971 
1 1 1 6  16 14 o 11 6.37280e+01 2.15479e+01 4.38813e+01 246.308 -2.35861e-01 -5.37511e-01 0.00000e+00 0.00000e+00 1.69415e+01 66.308  6.08227e+01 66.308  0.2815 
1 1 1 6  16 15 o 17 1.35439e+02 3.60851e+01 2.92215e+01 308.164 3.71075e-01  -4.72165e-01 0.00000e+00 0.00000e+00 2.96738e+01 308.164 4.52331e-01 308.164 0.2875 
1 1 1 6  16 16 o 19 1.50150e+02 4.61315e+01 1.08290e+02 149.171 -2.40274e+00 1.43399e+00  0.00000e+00 0.00000e+00 7.34204e+01 149.171 3.48691e+01 329.171 0.7939 
1 1 1 6  16 17 o 4  6.40964e+01 2.33507e+01 5.86983e+01 306.398 4.35495e-01  -5.90733e-01 0.00000e+00 0.00000e+00 2.47782e+01 126.398 8.34764e+01 126.398 0.3443 
1 1 1 6  16 18 o 6  1.16262e+02 4.21476e+01 4.73528e+01 288.719 3.00038e-01  -8.85433e-01 0.00000e+00 0.00000e+00 2.88838e+01 288.719 1.84689e+01 108.719 0.4228 
1 1 1 6  16 19 o 8  6.55127e+01 2.57733e+01 3.51425e+01 359.327 6.10995e-01  -7.17194e-03 0.00000e+00 0.00000e+00 5.18900e+00 179.327 4.03315e+01 179.327 0.2921 
1 1 1 6  16 20 o 10 6.94837e+01 2.64420e+01 9.81069e+01 190.721 -2.15646e+00 -4.08299e-01 0.00000e+00 0.00000e+00 1.82213e+01 10.721  1.16328e+02 10.721  0.7273 
1 1 1 6  16 21 o 13 6.43135e+01 2.65053e+01 3.90572e+01 184.554 -8.27956e-01 -6.59428e-02 0.00000e+00 0.00000e+00 3.01678e-01 184.554 3.87555e+01 4.554   0.3832 
1 1 1 6  16 22 o 2  5.74447e+01 2.53551e+01 1.99059e+01 286.813 1.38144e-01  -4.57189e-01 0.00000e+00 0.00000e+00 1.63485e+00 286.813 1.82711e+01 106.813 0.2322 
1 1 1 6  16 23 o 2  1.43752e+02 2.69882e+01 5.15321e+01 86.601  1.79530e-01  3.02230e+00  0.00000e+00 0.00000e+00 1.39089e+02 86.601  8.75570e+01 86.601  0.8120 
1 1 1 6  16 24 o 2  5.83397e+01 2.52687e+01 4.52870e+01 291.941 4.99193e-01  -1.23920e+00 0.00000e+00 0.00000e+00 8.01598e+00 291.941 3.72710e+01 111.941 0.5529 
1 1 1 6  16 25 o 6  1.20552e+02 3.36282e+01 6.25267e+01 144.436 -2.81445e+00 2.01231e+00  0.00000e+00 0.00000e+00 1.06688e+02 144.436 4.41608e+01 144.436 0.8390 
1 1 1 6  16 26 o 3  5.30297e+01 2.45645e+01 6.94948e+01 116.750 -1.07125e+00 2.12535e+00  0.00000e+00 0.00000e+00 1.97545e+00 296.750 7.14703e+01 296.750 0.7513 
1 1 1 6  16 27 o 6  5.77380e+01 2.52730e+01 4.38121e+01 113.615 -7.43826e-01 1.70137e+00  0.00000e+00 0.00000e+00 2.29080e+01 113.615 2.09041e+01 293.615 0.6728 
1 1 1 6  16 28 o 3  6.78427e+01 2.91397e+01 5.88599e+01 32.625  2.52056e+00  1.61354e+00  0.00000e+00 0.00000e+00 3.67756e+01 32.625  2.20843e+01 212.625 0.8095 
1 1 1 6  16 29 o 13 4.93808e+01 2.36740e+01 5.89467e+01 279.230 4.81810e-01  -2.96486e+00 0.00000e+00 0.00000e+00 1.17424e+01 279.230 4.72043e+01 99.230  0.8103 
1 1 1 6  16 30 o 7  7.45716e+01 3.10539e+01 3.84444e+01 213.117 -1.89084e+00 -1.23342e+00 0.00000e+00 0.00000e+00 5.99546e+01 213.117 2.15102e+01 213.117 0.7358 
1 1 1 6  16 31 o 5  5.69272e+01 2.66473e+01 4.29045e+01 10.854  2.63355e+00  5.04928e-01  0.00000e+00 0.00000e+00 3.83043e+01 10.854  4.60021e+00 190.854 0.7834 
1 1 1 6  16 32 o 12 6.03056e+01 2.79045e+01 3.96397e+01 46.095  1.70804e+00  1.77463e+00  0.00000e+00 0.00000e+00 4.52601e+01 46.095  5.62046e+00 46.095  0.7609 
1 1 1 6  16 33 o 7  5.29203e+01 2.56158e+01 1.74562e+01 110.910 -4.24305e-01 1.11058e+00  0.00000e+00 0.00000e+00 3.32364e+01 110.910 1.57802e+01 110.910 0.5093 
1 1 1 6  16 34 o 9  4.88109e+01 2.40517e+01 2.82817e+01 242.181 -9.57317e-01 -1.81427e+00 0.00000e+00 0.00000e+00 3.76367e+01 242.181 9.35502e+00 242.181 0.7060 
1 1 1 6  17 0  f 0  6.31602e+01 2.84964e+01 1.86012e+02 180.000 -9.28354e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.18967e+02 0.000   3.04979e+02 0.000   0.7298 
1 1 1 6  17 1  o 1  1.25449e+02 1.36239e+01 5.33375e+01 134.229 -7.55496e-01 7.76111e-01  0.00000e+00 0.00000e+00 3.33655e+01 134.229 1.99719e+01 314.229 0.4751 
1 1 1 6  17 2  o 18 1.40681e+02 1.12816e+01 2.16351e+02 252.309 -1.91301e+00 -5.99747e+00 0.00000e+00 0.00000e+00 2.85878e+01 72.309  2.44939e+02 72.309  0.9167 
1 1 1 6  17 3  o 1  4.57548e+02 1.52298e+01 2.70798e+02 355.817 2.49570e+01  -1.82540e+00 0.00000e+00 0.00000e+00 3.82737e+02 355.817 1.11938e+02 355.817 0.9798 
1 1 1 6  17 4  o 6  4.52205e+02 1.91582e+01 2.34728e+02 26.403  1.86187e+01  9.24367e+00  0.00000e+00 0.00000e+00 4.09564e+02 26.403  1.74837e+02 26.403  0.9756 
1 1 1 6  17 5  o 14 3.07391e+02 1.37755e+01 1.60123e+02 203.120 -8.73042e+00 -3.72736e+00 0.00000e+00 0.00000e+00 2.65394e+02 203.120 1.05271e+02 203.120 0.9458 
1 1 1 6  17 6  o 8  4.41877e+02 1.54313e+01 1.20765e+02 208.809 -8.80616e+00 -4.84301e+00 0.00000e+00 0.00000e+00 4.94628e+02 208.809 3.73863e+02 208.809 0.9489 
1 1 1 6  17 7  o 14 1.08764e+02 1.81385e+01 7.46706e+01 214.927 -1.35154e+00 -9.43802e-01 0.00000e+00 0.00000e+00 2.63503e+01 214.927 4.83203e+01 34.927  0.6307 
1 1 1 6  17 9  o 16 2.35712e+02 1.84670e+01 1.52059e+02 124.062 -4.26050e+00 6.30162e+00  0.00000e+00 0.00000e+00 1.73966e+02 124.062 2.19073e+01 124.062 0.9317 
1 1 1 6  17 10 o 18 1.15785e+02 4.22568e+01 6.56926e+01 244.596 -5.52184e-01 -1.16271e+00 0.00000e+00 0.00000e+00 2.73877e+01 244.596 3.83049e+01 64.596  0.5390 
1 1 1 6  17 11 o 4  1.96074e+02 2.56764e+01 1.47381e+02 309.293 3.93972e+00  -4.81461e+00 0.00000e+00 0.00000e+00 1.21843e+02 309.293 2.55375e+01 129.293 0.9157 
1 1 1 6  17 12 o 15 5.43493e+02 1.81990e+01 2.55933e+02 26.078  2.74216e+01  1.34207e+01  0.00000e+00 0.00000e+00 5.50255e+02 26.078  2.94322e+02 26.078  0.9835 
1 1 1 6  17 13 o 12 6.60804e+01 2.22814e+01 1.13291e+02 64.840  7.10222e-01  1.51201e+00  0.00000e+00 0.00000e+00 4.95482e+01 244.840 1.62839e+02 244.840 0.6355 
1 1 1 6  17 14 o 17 2.46339e+02 1.64836e+01 1.11195e+02 173.577 -4.67280e+00 5.25999e-01  0.00000e+00 0.00000e+00 2.22333e+02 173.577 1.11138e+02 173.577 0.8860 
1 1 1 6  17 15 o 17 3.64240e+02 1.65800e+01 1.36970e+02 15.890  1.09103e+01  3.10588e+00  0.00000e+00 0.00000e+00 3.98420e+02 15.890  2.61450e+02 15.890  0.9549 
1 1 1 6  17 16 o 4  2.66110e+02 3.72618e+01 2.47264e+02 271.447 2.87962e-01  -1.13994e+01 0.00000e+00 0.00000e+00 1.47055e+02 271.447 1.00209e+02 91.447  0.9551 
1 1 1 6  17 17 o 13 1.06843e+02 4.25979e+01 1.07601e+02 179.200 -1.94591e+00 2.71834e-02  0.00000e+00 0.00000e+00 7.51749e+00 179.200 1.00083e+02 359.200 0.6887 
1 1 1 6  17 18 o 5  9.20729e+01 2.59314e+01 2.93411e+01 127.384 -4.36748e-01 5.71579e-01  0.00000e+00 0.00000e+00 1.98127e+01 127.384 9.52842e+00 307.384 0.3382 
1 1 1 6  17 19 o 2  6.47480e+01 2.51670e+01 2.60004e+01 168.536 -5.43545e-01 1.10233e-01  0.00000e+00 0.00000e+00 1.55723e+00 168.536 2.44432e+01 348.536 0.2672 
1 1 1 6  17 20 o 14 1.06886e+02 4.22684e+01 1.06502e+02 59.660  1.48383e+00  2.53522e+00  0.00000e+00 0.00000e+00 3.19725e+01 59.660  7.45294e+01 239.660 0.8053 
1 1 1 6  17 21 o 11 1.07859e+02 2.71844e+01 6.32894e+01 57.874  1.47907e+00  2.35548e+00  0.00000e+00 0.00000e+00 7.56476e+01 57.874  1.23582e+01 57.874  0.7924 
1 1 1 6  17 22 o 6  8.42505e+01 2.93368e+01 6.26722e+01 343.116 2.03307e+00  -6.17077e-01 0.00000e+00 0.00000e+00 3.66247e+01 343.116 2.60475e+01 163.116 0.7172 
1 1 1 6  17 23 o 6  1.47679e+02 3.11425e+01 1.05151e+02 225.196 -4.81321e+00 -4.84624e+00 0.00000e+00 0.00000e+00 1.21541e+02 225.196 1.63901e+01 225.196 0.9236 
1 1 1 6  17 24 o 7  9.77540e+01 2.94036e+01 9.00859e+01 94.177  -3.30235e-01 4.52205e+00  0.00000e+00 0.00000e+00 5.48105e+01 94.177  3.52755e+01 274.177 0.8813 
1 1 1 6  17 25 o 16 9.65069e+01 3.29175e+01 3.72138e+01 102.415 -3.44946e-01 1.56695e+00  0.00000e+00 0.00000e+00 6.48204e+01 102.415 2.76066e+01 102.415 0.6209 
1 1 1 6  17 26 o 17 5.94797e+01 2.63863e+01 2.11999e+01 300.243 4.29278e-01  -7.36289e-01 0.00000e+00 0.00000e+00 1.89763e+01 300.243 2.22361e+00 120.243 0.3916 
1 1 1 6  17 27 o 11 8.36482e+01 2.93800e+01 4.92868e+01 282.773 6.57493e-01  -2.90021e+00 0.00000e+00 0.00000e+00 6.88615e+01 282.773 1.95748e+01 282.773 0.8080 
1 1 1 6  17 28 o 8  7.43362e+01 3.08473e+01 1.83011e+01 37.270  8.39266e-01  6.38647e-01  0.00000e+00 0.00000e+00 4.30192e+01 37.270  2.47181e+01 37.270  0.4654 
1 1 1 6  17 29 o 10 5.70511e+01 2.59414e+01 3.62853e+01 48.857  1.29914e+00  1.48699e+00  0.00000e+00 0.00000e+00 3.48612e+01 48.857  1.42408e+00 228.857 0.6936 
1 1 1 6  17 30 o 3  6.81539e+01 2.91729e+01 2.04510e+01 274.991 1.04796e-01  -1.19996e+00 0.00000e+00 0.00000e+00 4.35046e+01 274.991 2.30536e+01 274.991 0.5142 
1 1 1 6  17 31 o 8  1.03479e+02 3.49117e+01 3.20641e+01 189.876 -2.31797e+00 -4.03557e-01 0.00000e+00 0.00000e+00 1.11387e+02 189.876 7.93229e+01 189.876 0.7480 
1 1 1 6  17 32 o 7  5.28966e+01 2.53251e+01 2.24205e+01 211.841 -1.23563e+00 -7.67334e-01 0.00000e+00 0.00000e+00 3.58167e+01 211.841 1.33962e+01 211.841 0.5847 
1 1 1 6  17 33 o 15 5.80734e+01 2.75907e+01 4.00046e+01 301.664 1.38490e+00  -2.24546e+00 0.00000e+00 0.00000e+00 4.66143e+01 301.664 6.60976e+00 301.664 0.7792 
1 1 1 6  18 0  o 6  2.65615e+01 1.79846e+01 1.14542e+02 0.000   2.89985e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.03437e+02 180.000 2.17979e+02 180.000 0.2821 
1 1 1 6  18 1  o 8  1.26277e+02 1.43417e+01 1.02511e+02 70.009  8.37149e-01  2.30118e+00  0.00000e+00 0.00000e+00 3.96099e+01 70.009  6.29010e+01 250.009 0.7593 
1 1 1 6  18 2  o 10 2.87303e+02 1.15179e+01 1.25444e+02 256.007 -1.85015e+00 -7.42457e+00 0.00000e+00 0.00000e+00 2.71818e+02 256.007 1.46374e+02 256.007 0.9322 
1 1 1 6  18 3  o 3  1.54240e+02 1.48871e+01 1.41007e+02 167.377 -4.41079e+00 9.87751e-01  0.00000e+00 0.00000e+00 6.07951e+01 167.377 8.02123e+01 347.377 0.8809 
1 1 1 6  18 4  o 7  1.11290e+02 1.69383e+01 7.30208e+01 204.320 -1.50829e+00 -6.81669e-01 0.00000e+00 0.00000e+00 3.16646e+01 204.320 4.13562e+01 24.321  0.6322 
1 1 1 6  18 5  o 8  6.64008e+01 1.98312e+01 1.37167e+02 223.574 -1.34202e+00 -1.27685e+00 0.00000e+00 0.00000e+00 7.06276e+01 43.574  2.07794e+02 43.574  0.6720 
1 1 1 6  18 6  o 6  7.58628e+01 2.04136e+01 2.12476e+01 166.182 -3.12477e-01 7.68559e-02  0.00000e+00 0.00000e+00 3.22729e+00 346.182 2.44749e+01 346.182 0.1588 
1 1 1 6  18 7  o 15 3.74125e+02 1.76454e+01 2.14881e+02 354.661 1.70073e+01  -1.58939e+00 0.00000e+00 0.00000e+00 3.29729e+02 354.661 1.14848e+02 354.661 0.9703 
1 1 1 6  18 9  o 4  3.42577e+02 1.75471e+01 1.69162e+02 98.341  -1.93239e+00 1.31804e+01  0.00000e+00 0.00000e+00 3.29123e+02 98.341  1.59962e+02 98.341  0.9617 
1 1 1 6  18 10 o 16 2.33885e+02 2.38537e+01 1.94700e+02 260.650 -1.57977e+00 -9.59504e+00 0.00000e+00 0.00000e+00 1.41934e+02 260.650 5.27662e+01 80.650  0.9471 
1 1 1 6  18 11 o 14 1.02992e+02 3.60006e+01 3.42323e+01 340.001 6.59548e-01  -2.40045e-01 0.00000e+00 0.00000e+00 1.78443e+01 340.001 1.63879e+01 160.001 0.3310 
1 1 1 6  18 12 o 15 3.44020e+02 1.96242e+01 1.06483e+02 105.635 -1.70422e+00 6.08945e+00  0.00000e+00 0.00000e+00 3.78341e+02 105.635 2.71858e+02 105.635 0.9171 
1 1 1 6  18 13 o 8  2.69606e+02 1.66889e+01 6.23924e+01 295.998 1.38819e+00  -2.84652e+00 0.00000e+00 0.00000e+00 2.80148e+02 295.998 2.17756e+02 295.998 0.8216 
1 1 1 6  18 14 o 1  2.67212e+02 1.93869e+01 7.70637e+01 286.009 1.26412e+00  -4.40576e+00 0.00000e+00 0.00000e+00 2.90186e+02 286.009 2.13122e+02 286.009 0.8827 
1 1 1 6  18 15 o 18 2.45743e+02 1.82448e+01 1.94491e+02 197.992 -9.68620e+00 -3.14582e+00 0.00000e+00 0.00000e+00 1.71486e+02 197.992 2.30055e+01 17.992  0.9496 
1 1 1 6  18 16 o 6  9.87746e+01 3.38064e+01 4.60325e+01 10.469  9.76634e-01  1.80468e-01  0.00000e+00 0.00000e+00 2.32843e+01 10.469  2.27483e+01 190.469 0.4440 
1 1 1 6  18 17 o 5  1.41165e+02 4.55702e+01 1.84767e+02 99.462  -8.80886e-01 5.28567e+00  0.00000e+00 0.00000e+00 1.79779e+01 99.462  1.66789e+02 279.462 0.9011 
1 1 1 6  18 18 o 14 6.08068e+01 2.36737e+01 3.07021e+01 195.187 -6.07263e-01 -1.64839e-01 0.00000e+00 0.00000e+00 1.36754e+00 15.187  3.20697e+01 15.187  0.3000 
1 1 1 6  18 19 o 13 1.19031e+02 4.22545e+01 7.24912e+01 249.062 -7.97011e-01 -2.08305e+00 0.00000e+00 0.00000e+00 6.89681e+01 249.062 3.52314e+00 69.062  0.7322 
1 1 1 6  18 20 o 18 1.27341e+02 4.00918e+01 9.31387e+01 138.894 -2.83305e+00 2.47192e+00  0.00000e+00 0.00000e+00 8.50343e+01 138.894 8.10432e+00 318.894 0.8536 
1 1 1 6  18 21 o 5  1.44106e+02 2.32595e+01 1.10150e+02 342.529 6.85772e+00  -2.15845e+00 0.00000e+00 0.00000e+00 1.11233e+02 342.529 1.08359e+00 342.529 0.9276 
1 1 1 6  18 22 o 11 8.80953e+01 2.85880e+01 7.44219e+01 309.995 1.97363e+00  -2.35253e+00 0.00000e+00 0.00000e+00 4.57964e+01 309.995 2.86254e+01 129.995 0.8151 
1 1 1 6  18 23 o 8  7.39040e+01 2.76557e+01 1.92495e+01 339.822 7.22621e-01  -2.65563e-01 0.00000e+00 0.00000e+00 2.56742e+01 339.822 6.42468e+00 339.822 0.3590 
1 1 1 6  18 24 o 17 7.70073e+01 2.83292e+01 8.10445e+01 153.828 -2.81994e+00 1.38589e+00  0.00000e+00 0.00000e+00 2.71534e+01 153.828 5.38911e+01 333.828 0.8200 
1 1 1 6  18 25 o 15 8.24724e+01 3.11627e+01 5.28663e+01 87.529  1.06022e-01  2.45681e+00  0.00000e+00 0.00000e+00 5.59389e+01 87.529  3.07259e+00 87.529  0.7605 
1 1 1 6  18 26 o 8  8.24981e+01 3.30076e+01 5.77009e+01 109.527 -9.64800e-01 2.72047e+00  0.00000e+00 0.00000e+00 5.84559e+01 109.527 7.55009e-01 109.527 0.8012 
1 1 1 6  18 27 o 15 5.22477e+01 2.39919e+01 3.06514e+01 198.757 -1.50556e+00 -5.11276e-01 0.00000e+00 0.00000e+00 2.68167e+01 198.757 3.83472e+00 18.757  0.6176 
1 1 1 6  18 28 o 10 6.16324e+01 2.72297e+01 6.03104e+01 265.037 -2.90683e-01 -3.34742e+00 0.00000e+00 0.00000e+00 3.24487e+01 265.037 2.78617e+01 85.037  0.8334 
1 1 1 6  18 29 o 10 8.98638e+01 3.38279e+01 4.17450e+01 301.331 1.37078e+00  -2.25179e+00 0.00000e+00 0.00000e+00 8.65044e+01 301.331 4.47594e+01 301.331 0.7790 
1 1 1 6  18 30 o 4  7.42502e+01 3.11772e+01 5.22315e+01 66.281  1.32599e+00  3.01795e+00  0.00000e+00 0.00000e+00 6.23205e+01 66.281  1.00890e+01 66.281  0.8297 
1 1 1 6  18 31 o 11 6.15247e+01 2.82352e+01 2.58666e+01 84.917  1.47930e-01  1.66308e+00  0.00000e+00 0.00000e+00 4.79450e+01 84.917  2.20784e+01 84.917  0.6354 
1 1 1 6  18 32 o 19 5.49086e+01 2.61345e+01 2.39543e+01 225.493 -1.12967e+00 -1.14928e+00 0.00000e+00 0.00000e+00 4.16219e+01 225.493 1.76675e+01 225.493 0.6225 
1 1 1 6  18 33 o 7  6.18921e+01 2.88855e+01 5.72188e+00 184.641 -3.78874e-01 -3.07548e-02 0.00000e+00 0.00000e+00 1.68139e+01 184.641 1.10920e+01 184.641 0.1867 
1 1 1 6  19 0  o 5  1.38893e+02 2.54663e+01 1.63460e+02 0.000   2.44720e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.33401e+01 0.000   1.20120e+02 180.000 0.9851 
1 1 1 6  19 1  o 13 1.94229e+02 1.31812e+01 1.42569e+02 339.361 5.71911e+00  -2.15409e+00 0.00000e+00 0.00000e+00 1.25824e+02 339.361 1.67446e+01 159.361 0.9141 
1 1 1 6  19 2  o 9  4.56238e+02 1.56105e+01 2.43872e+02 89.785  9.07502e-02  2.41739e+01  0.00000e+00 0.00000e+00 4.31945e+02 89.785  1.88074e+02 89.785  0.9791 
1 1 1 6  19 3  o 14 3.68546e+02 1.45722e+01 1.94458e+02 170.391 -1.53284e+01 2.59503e+00  0.00000e+00 0.00000e+00 3.45559e+02 170.391 1.51101e+02 170.391 0.9673 
1 1 1 6  19 4  o 15 5.58977e+02 1.73120e+01 3.62100e+02 237.335 -2.31486e+01 -3.61062e+01 0.00000e+00 0.00000e+00 4.76199e+02 237.335 1.14100e+02 237.335 0.9883 
1 1 1 6  19 5  o 18 1.51029e+02 1.95295e+01 6.03299e+01 136.548 -1.61860e+00 1.53343e+00  0.00000e+00 0.00000e+00 1.07839e+02 136.548 4.75092e+01 136.548 0.7321 
1 1 1 6  19 6  o 11 3.56646e+02 1.51965e+01 2.57778e+02 13.222  2.22197e+01  5.22069e+00  0.00000e+00 0.00000e+00 2.74116e+02 13.222  1.63379e+01 13.222  0.9778 
1 1 1 6  19 7  o 4  5.92624e+01 1.84693e+01 3.93359e+01 140.443 -4.08719e-01 3.37606e-01  0.00000e+00 0.00000e+00 1.61063e+01 320.443 5.54422e+01 320.443 0.2562 
1 1 1 6  19 8  o 13 2.95679e+02 1.52701e+01 1.70887e+02 230.660 -7.23645e+00 -8.82866e+00 0.00000e+00 0.00000e+00 2.62898e+02 230.660 9.20110e+01 230.660 0.9551 
1 1 1 6  19 9  o 17 2.22400e+02 1.57609e+01 1.37304e+02 339.844 6.82333e+00  -2.50455e+00 0.00000e+00 0.00000e+00 1.81207e+02 339.844 4.39032e+01 339.844 0.9284 
1 1 1 6  19 10 o 11 1.42554e+02 2.03467e+01 1.73113e+02 87.494  1.87319e-01  4.27998e+00  0.00000e+00 0.00000e+00 1.99186e+01 87.494  1.53195e+02 267.494 0.8736 
1 1 1 6  19 11 o 1  3.10946e+02 2.43549e+01 1.80705e+02 112.353 -3.89733e+00 9.47754e+00  0.00000e+00 0.00000e+00 2.79531e+02 112.353 9.88256e+01 112.353 0.9499 
1 1 1 6  19 12 o 9  2.89275e+02 2.02513e+01 6.31794e+01 214.241 -3.40001e+00 -2.31421e+00 0.00000e+00 0.00000e+00 3.30226e+02 214.241 2.67047e+02 214.241 0.8677 
1 1 1 6  19 13 o 11 2.67649e+02 1.70928e+01 1.18127e+02 325.282 5.38743e+00  -3.73288e+00 0.00000e+00 0.00000e+00 2.70317e+02 325.282 1.52190e+02 325.282 0.9202 
1 1 1 6  19 14 o 11 1.37775e+02 3.63484e+01 1.30645e+02 29.382  2.89498e+00  1.63001e+00  0.00000e+00 0.00000e+00 5.12186e+01 29.382  7.94259e+01 209.382 0.8313 
1 1 1 6  19 15 o 19 1.00889e+02 3.79635e+01 1.96796e+02 224.645 -2.92255e+00 -2.88657e+00 0.00000e+00 0.00000e+00 5.67882e+01 44.645  2.53584e+02 44.645  0.8675 
1 1 1 6  19 16 o 8  1.33775e+02 4.10028e+01 1.25032e+02 88.521  1.02332e-01  3.96279e+00  0.00000e+00 0.00000e+00 6.09020e+01 88.521  6.41299e+01 268.521 0.8621 
1 1 1 6  19 17 o 2  9.39808e+01 2.44463e+01 9.33928e+01 27.337  2.60329e+00  1.34579e+00  0.00000e+00 0.00000e+00 2.95519e+01 27.337  6.38408e+01 207.337 0.8047 
1 1 1 6  19 18 o 13 1.29351e+02 2.10101e+01 6.16051e+01 239.575 -1.45657e+00 -2.48020e+00 0.00000e+00 0.00000e+00 1.08196e+02 239.575 4.65908e+01 239.575 0.8004 
1 1 1 6  19 19 o 10 1.39245e+02 3.29042e+01 8.63390e+01 110.436 -1.54241e+00 4.13938e+00  0.00000e+00 0.00000e+00 1.16015e+02 110.436 2.96760e+01 110.436 0.8779 
1 1 1 6  19 20 o 19 1.25567e+02 2.70414e+01 8.14021e+01 354.029 4.31262e+00  -4.51075e-01 0.00000e+00 0.00000e+00 1.02345e+02 354.029 2.09433e+01 354.029 0.8753 
1 1 1 6  19 21 o 5  6.96287e+01 2.65165e+01 6.45441e+01 301.666 1.16137e+00  -1.88293e+00 0.00000e+00 0.00000e+00 2.12829e+01 301.666 4.32612e+01 121.666 0.7297 
1 1 1 6  19 22 o 7  7.65298e+01 3.29839e+01 1.08067e+02 242.240 -1.76718e+00 -3.35745e+00 0.00000e+00 0.00000e+00 3.68018e+00 242.240 1.04387e+02 62.240  0.8551 
1 1 1 6  19 23 o 7  1.38461e+02 2.43631e+01 1.22548e+02 149.448 -8.13335e+00 4.80092e+00  0.00000e+00 0.00000e+00 1.03547e+02 149.448 1.90011e+01 329.448 0.9455 
1 1 1 6  19 24 o 7  6.41587e+01 2.62830e+01 6.11717e+01 47.042  1.75606e+00  1.88591e+00  0.00000e+00 0.00000e+00 2.55154e+01 47.042  3.56563e+01 227.042 0.7731 
1 1 1 6  19 25 o 19 5.84126e+01 2.60732e+01 6.78871e+01 350.924 3.04866e+00  -4.87022e-01 0.00000e+00 0.00000e+00 1.64752e+01 350.924 5.14119e+01 170.924 0.8162 
1 1 1 6  19 26 o 14 7.61572e+01 3.23138e+01 2.09847e+01 72.860  3.10074e-01  1.00539e+00  0.00000e+00 0.00000e+00 4.24253e+01 72.860  2.14406e+01 72.860  0.4646 
1 1 1 6  19 27 o 14 5.77819e+01 2.56414e+01 2.87427e+01 29.246  1.36598e+00  7.64873e-01  0.00000e+00 0.00000e+00 3.54822e+01 29.246  6.73950e+00 29.246  0.6119 
1 1 1 6  19 28 o 4  4.66270e+01 2.23448e+01 2.39155e+01 275.263 1.19562e-01  -1.29784e+00 0.00000e+00 0.00000e+00 2.27694e+01 275.263 1.14608e+00 95.263  0.5436 
1 1 1 6  19 29 o 9  5.32239e+01 2.51364e+01 2.88625e+01 132.986 -1.23510e+00 1.32512e+00  0.00000e+00 0.00000e+00 3.71948e+01 132.986 8.33233e+00 132.986 0.6643 
1 1 1 6  19 30 o 4  4.04169e+01 2.02043e+01 1.91674e+01 209.049 -1.07366e+00 -5.96348e-01 0.00000e+00 0.00000e+00 2.07987e+01 209.049 1.63125e+00 209.049 0.5214 
1 1 1 6  19 31 o 16 5.51833e+01 2.61780e+01 1.43163e+01 274.831 8.15752e-02  -9.65263e-01 0.00000e+00 0.00000e+00 3.19335e+01 274.831 1.76173e+01 274.831 0.4352 
1 1 1 6  19 32 o 14 4.75491e+01 2.32818e+01 4.25668e+01 339.150 2.83320e+00  -1.07904e+00 0.00000e+00 0.00000e+00 3.30091e+01 339.150 9.55767e+00 159.150 0.8123 
1 1 1 6  20 0  o 17 2.63995e+02 1.70891e+01 7.98095e+01 0.000   2.51485e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.22277e+02 0.000   2.42468e+02 0.000   0.9870 
1 1 1 6  20 1  o 14 2.19129e+02 1.70304e+01 1.69924e+02 182.266 -8.64188e+00 -3.41904e-01 0.00000e+00 0.00000e+00 1.48108e+02 182.266 2.18168e+01 2.266   0.9403 
1 1 1 6  20 2  o 18 5.47884e+02 1.70616e+01 2.98935e+02 136.011 -2.72652e+01 2.63194e+01  0.00000e+00 0.00000e+00 5.36139e+02 136.011 2.37204e+02 136.011 0.9867 
1 1 1 6  20 3  o 12 2.27629e+02 1.20075e+01 8.42665e+01 9.555   4.46709e+00  7.51948e-01  0.00000e+00 0.00000e+00 2.25973e+02 9.555   1.41706e+02 9.555   0.8812 
1 1 1 6  20 4  o 3  1.94012e+02 1.49381e+01 1.43081e+02 349.126 6.24655e+00  -1.20000e+00 0.00000e+00 0.00000e+00 1.32755e+02 349.126 1.03268e+01 169.126 0.9176 
1 1 1 6  20 5  o 5  2.52294e+02 1.99734e+01 1.90629e+02 137.582 -7.80775e+00 7.13383e+00  0.00000e+00 0.00000e+00 1.82150e+02 137.582 8.47902e+00 317.582 0.9515 
1 1 1 6  20 6  o 7  3.28864e+02 1.49830e+01 1.22959e+02 323.587 7.84838e+00  -5.78900e+00 0.00000e+00 0.00000e+00 3.62142e+02 323.587 2.39183e+02 323.587 0.9473 
1 1 1 6  20 7  o 7  2.43314e+02 1.22821e+01 1.95795e+02 240.995 -5.56586e+00 -1.00390e+01 0.00000e+00 0.00000e+00 1.67385e+02 240.995 2.84100e+01 60.995  0.9554 
1 1 1 6  20 8  o 5  1.44394e+02 1.35829e+01 8.23821e+01 152.557 -1.88928e+00 9.81111e-01  0.00000e+00 0.00000e+00 8.01687e+01 152.557 2.21338e+00 332.557 0.7178 
1 1 1 6  20 9  o 9  2.72407e+02 1.58015e+01 1.61848e+02 17.324  8.09830e+00  2.52608e+00  0.00000e+00 0.00000e+00 2.41047e+02 17.324  7.91983e+01 17.324  0.9391 
1 1 1 6  20 10 o 6  3.85976e+02 2.04796e+01 2.10851e+02 342.971 1.76080e+01  -5.39304e+00 0.00000e+00 0.00000e+00 3.83152e+02 342.971 1.72301e+02 342.971 0.9725 
1 1 1 6  20 13 o 5  2.82584e+02 5.10543e+01 1.06405e+02 287.322 1.56839e+00  -5.02864e+00 0.00000e+00 0.00000e+00 3.02797e+02 287.322 1.96392e+02 287.322 0.8992 
1 1 1 6  20 14 o 7  1.36070e+02 2.92664e+01 9.67189e+01 168.337 -3.36242e+00 6.94088e-01  0.00000e+00 0.00000e+00 8.80558e+01 168.337 8.66306e+00 348.336 0.8375 
1 1 1 6  20 15 o 1  8.92821e+01 2.24297e+01 7.58009e+01 352.217 2.04340e+00  -2.79287e-01 0.00000e+00 0.00000e+00 2.74035e+01 352.217 4.83974e+01 172.217 0.7078 
1 1 1 6  20 16 o 10 2.29450e+02 3.29154e+01 9.79705e+01 64.496  2.69072e+00  5.64029e+00  0.00000e+00 0.00000e+00 2.48014e+02 64.496  1.50044e+02 64.496  0.9161 
1 1 1 6  20 17 o 14 5.00500e+01 2.09620e+01 3.65006e+01 137.831 -5.08627e-01 4.60700e-01  0.00000e+00 0.00000e+00 9.55201e+00 317.831 4.60526e+01 317.831 0.3244 
1 1 1 6  20 18 o 18 1.29962e+02 2.07587e+01 3.28821e+01 182.562 -2.10702e+00 -9.42651e-02 0.00000e+00 0.00000e+00 1.22698e+02 182.562 8.98164e+01 182.562 0.7149 
1 1 1 6  20 19 o 19 6.86036e+01 2.49094e+01 1.66302e+01 74.485  1.34986e-01  4.86260e-01  0.00000e+00 0.00000e+00 1.17345e+01 74.485  4.89568e+00 254.485 0.2446 
1 1 1 6  20 20 o 17 1.39732e+02 2.17324e+01 9.20712e+01 273.210 3.93471e-01  -7.01686e+00 0.00000e+00 0.00000e+00 1.28753e+02 273.210 3.66821e+01 273.210 0.9258 
1 1 1 6  20 21 o 9  5.90469e+01 2.48734e+01 3.88452e+01 207.252 -1.19136e+00 -6.13643e-01 0.00000e+00 0.00000e+00 1.75772e+01 207.252 2.12680e+01 27.252  0.5541 
1 1 1 6  20 22 f 0  1.17064e+02 2.57726e+01 1.01507e+02 82.490  8.39131e-01  6.36489e+00  0.00000e+00 0.00000e+00 8.59404e+01 82.490  1.55667e+01 262.490 0.9184 
1 1 1 6  20 23 o 8  9.57573e+01 2.80613e+01 5.05551e+01 79.668  5.41279e-01  2.96906e+00  0.00000e+00 0.00000e+00 8.64381e+01 79.668  3.58830e+01 79.668  0.8113 
1 1 1 6  20 24 o 7  6.89993e+01 2.85804e+01 7.13866e+01 152.450 -2.87413e+00 1.49935e+00  0.00000e+00 0.00000e+00 3.03584e+01 152.450 4.10282e+01 332.450 0.8264 
1 1 1 6  20 25 o 5  6.80018e+01 2.71112e+01 3.56472e+01 217.874 -1.54295e+00 -1.20002e+00 0.00000e+00 0.00000e+00 4.91425e+01 217.874 1.34953e+01 217.874 0.6902 
1 1 1 6  20 26 o 12 6.06345e+01 2.83278e+01 8.06838e+01 295.251 1.75062e+00  -3.71173e+00 0.00000e+00 0.00000e+00 1.55616e+01 295.251 6.51221e+01 115.251 0.8674 
1 1 1 6  20 27 o 15 7.64635e+01 3.03771e+01 5.55633e+01 314.643 2.36451e+00  -2.39413e+00 0.00000e+00 0.00000e+00 6.26652e+01 314.643 7.10197e+00 314.643 0.8337 
1 1 1 6  20 28 o 10 6.88219e+01 2.89360e+01 3.77261e+01 3.874   2.35683e+00  1.59590e-01  0.00000e+00 0.00000e+00 5.92265e+01 3.874   2.15004e+01 3.874   0.7491 
1 1 1 6  20 29 o 9  6.54017e+01 2.87566e+01 4.20935e+01 124.977 -1.48495e+00 2.12253e+00  0.00000e+00 0.00000e+00 5.45366e+01 124.977 1.24431e+01 124.977 0.7745 
1 1 1 6  20 30 o 18 4.81062e+01 2.35728e+01 2.72023e+01 144.252 -1.42725e+00 1.02740e+00  0.00000e+00 0.00000e+00 3.37043e+01 144.252 6.50196e+00 144.252 0.6539 
1 1 1 6  20 31 o 3  4.46597e+01 2.21459e+01 1.67175e+01 296.162 5.22370e-01  -1.06337e+00 0.00000e+00 0.00000e+00 2.78955e+01 296.162 1.11779e+01 296.162 0.5080 
1 1 1 6  20 32 o 4  4.93897e+01 2.42238e+01 1.17721e+01 49.640  5.36470e-01  6.31242e-01  0.00000e+00 0.00000e+00 2.59507e+01 49.640  1.41786e+01 49.640  0.3823 
1 1 1 6  21 0  o 18 2.51763e+02 1.72723e+01 1.32543e+02 0.000   4.06745e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.64315e+02 0.000   1.31772e+02 0.000   0.9994 
1 1 1 6  21 1  f 0  1.85165e+02 1.43017e+01 1.93916e+02 90.770  -1.16228e-01 8.65067e+00  0.00000e+00 0.00000e+00 8.07670e+01 90.770  1.13149e+02 270.770 0.9403 
1 1 1 6  21 2  o 2  1.29469e+02 1.65594e+01 4.37847e+01 64.462  4.42086e-01  9.25274e-01  0.00000e+00 0.00000e+00 4.92914e+01 64.462  5.50669e+00 64.462  0.4553 
1 1 1 6  21 3  o 10 2.03028e+02 1.48557e+01 1.14137e+02 349.722 4.13326e+00  -7.49494e-01 0.00000e+00 0.00000e+00 1.65354e+02 349.722 5.12168e+01 349.722 0.8708 
1 1 1 6  21 4  o 13 1.27162e+02 2.39070e+01 1.45599e+02 290.684 1.12033e+00  -2.96744e+00 0.00000e+00 0.00000e+00 1.99190e+01 290.684 1.25680e+02 110.684 0.8219 
1 1 1 6  21 5  o 12 1.61288e+02 1.66485e+01 7.88946e+01 296.072 1.09149e+00  -2.23077e+00 0.00000e+00 0.00000e+00 1.16482e+02 296.072 3.75871e+01 296.072 0.7632 
1 1 1 6  21 6  f 0  2.24745e+02 1.55083e+01 1.76381e+02 167.455 -7.50692e+00 1.67046e+00  0.00000e+00 0.00000e+00 1.57190e+02 167.455 1.91905e+01 347.455 0.9325 
1 1 1 6  21 7  o 3  9.99328e+01 1.61960e+01 5.55261e+01 296.840 5.90817e-01  -1.16758e+00 0.00000e+00 0.00000e+00 3.14638e+01 296.840 2.40623e+01 116.840 0.5451 
1 1 1 6  21 8  o 1  2.79807e+02 1.26508e+01 1.62477e+02 57.345  5.36168e+00  8.36603e+00  0.00000e+00 0.00000e+00 2.62823e+02 57.345  1.00346e+02 57.345  0.9483 
1 1 1 6  21 9  o 13 4.97333e+02 1.71958e+01 3.01886e+02 195.314 -3.04101e+01 -8.32749e+00 0.00000e+00 0.00000e+00 4.85919e+02 195.314 1.84033e+02 195.314 0.9840 
1 1 1 6  21 10 o 1  6.94376e+01 2.41970e+01 2.54172e+01 174.978 -3.64577e-01 3.20376e-02  0.00000e+00 0.00000e+00 5.20074e+00 354.978 3.06179e+01 354.978 0.1800 
1 1 1 6  21 11 o 14 1.96727e+02 2.22286e+01 1.79822e+02 337.186 8.20742e+00  -3.45239e+00 0.00000e+00 0.00000e+00 1.21540e+02 337.186 5.82825e+01 157.186 0.9420 
1 1 1 6  21 13 o 6  1.14931e+02 4.03727e+01 6.96715e+01 139.307 -1.45848e+00 1.25416e+00  0.00000e+00 0.00000e+00 5.98722e+01 139.307 9.79931e+00 319.307 0.6848 
1 1 1 6  21 14 o 9  1.19782e+02 1.93819e+01 8.40694e+01 190.046 -3.57883e+00 -6.34006e-01 0.00000e+00 0.00000e+00 8.42242e+01 190.046 1.54815e-01 190.046 0.8478 
1 1 1 6  21 15 o 1  1.03941e+02 3.39470e+01 8.50538e+01 31.950  2.26502e+00  1.41257e+00  0.00000e+00 0.00000e+00 5.06718e+01 31.950  3.43820e+01 211.950 0.7822 
1 1 1 6  21 16 o 13 1.36452e+02 1.89325e+01 7.85503e+01 301.263 2.13932e+00  -3.52371e+00 0.00000e+00 0.00000e+00 1.20732e+02 301.263 4.21820e+01 301.263 0.8681 
1 1 1 6  21 17 o 11 1.03251e+02 2.35209e+01 5.08881e+01 224.282 -1.76417e+00 -1.72051e+00 0.00000e+00 0.00000e+00 8.24199e+01 224.282 3.15317e+01 224.282 0.7610 
1 1 1 6  21 18 o 5  8.48563e+01 3.62740e+01 7.55069e+01 25.043  1.99745e+00  9.33248e-01  0.00000e+00 0.00000e+00 3.03226e+01 25.043  4.51844e+01 205.043 0.7287 
1 1 1 6  21 19 o 5  1.18715e+02 3.35730e+01 1.20479e+02 50.060  3.89334e+00  4.64974e+00  0.00000e+00 0.00000e+00 6.68384e+01 50.060  5.36403e+01 230.060 0.9134 
1 1 1 6  21 20 o 9  6.75306e+01 3.11615e+01 1.26593e+02 230.651 -2.68646e+00 -3.27651e+00 0.00000e+00 0.00000e+00 2.38500e+01 50.651  1.50443e+02 50.651  0.8721 
1 1 1 6  21 21 o 14 1.41487e+02 2.09984e+01 8.84127e+01 210.972 -6.49721e+00 -3.89966e+00 0.00000e+00 0.00000e+00 1.43905e+02 210.972 5.54919e+01 210.972 0.9315 
1 1 1 6  21 22 o 11 6.58541e+01 3.04391e+01 9.13182e+01 59.293  1.77780e+00  2.99335e+00  0.00000e+00 0.00000e+00 7.27258e+00 59.293  8.40456e+01 239.293 0.8401 
1 1 1 6  21 23 o 15 5.04018e+01 2.28014e+01 6.07823e+01 3.256   2.44403e+00  1.39026e-01  0.00000e+00 0.00000e+00 8.18554e+00 3.256   5.25968e+01 183.256 0.7592 
1 1 1 6  21 24 o 4  5.31095e+01 2.43116e+01 3.57910e+01 9.715   1.68935e+00  2.89223e-01  0.00000e+00 0.00000e+00 2.66604e+01 9.715   9.13061e+00 189.715 0.6447 
1 1 1 6  21 25 o 15 6.59052e+01 2.70784e+01 6.89394e+01 157.132 -3.77038e+00 1.59017e+00  0.00000e+00 0.00000e+00 3.65653e+01 157.132 3.23741e+01 337.132 0.8670 
1 1 1 6  21 26 o 9  3.98977e+01 1.96218e+01 3.56651e+01 248.874 -6.72955e-01 -1.74168e+00 0.00000e+00 0.00000e+00 1.46848e+01 248.874 2.09803e+01 68.874  0.6747 
1 1 1 6  21 27 f 0  7.87791e+01 3.42498e+01 4.18572e+01 317.706 1.71801e+00  -1.56294e+00 0.00000e+00 0.00000e+00 6.92807e+01 317.706 2.74235e+01 317.706 0.7442 
1 1 1 6  21 28 o 4  4.86255e+01 2.32809e+01 3.19964e+01 154.884 -1.78027e+00 8.34553e-01  0.00000e+00 0.00000e+00 3.26910e+01 154.884 6.94627e-01 154.884 0.6921 
1 1 1 6  21 29 o 2  5.69435e+01 2.63964e+01 1.28084e+01 183.072 -8.32326e-01 -4.46699e-02 0.00000e+00 0.00000e+00 2.98626e+01 183.072 1.70542e+01 183.072 0.3843 
1 1 1 6  21 30 o 1  5.71601e+01 2.69234e+01 3.29888e+01 319.794 1.64725e+00  -1.39234e+00 0.00000e+00 0.00000e+00 4.86788e+01 319.794 1.56900e+01 319.794 0.7219 
1 1 1 6  21 31 o 1  4.70915e+01 2.30480e+01 2.75417e+01 5.108   1.99377e+00  1.78210e-01  0.00000e+00 0.00000e+00 3.85246e+01 5.108   1.09828e+01 5.108   0.6981 
1 1 1 6  22 0  o 15 2.74271e+02 1.80850e+01 1.56137e+02 0.000   5.19279e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.86461e+02 0.000   1.30325e+02 0.000   0.9999 
1 1 1 6  22 1  o 3  1.91644e+02 1.62194e+01 1.45582e+02 181.001 -6.62927e+00 -1.15873e-01 0.00000e+00 0.00000e+00 1.39384e+02 181.001 6.19818e+00 1.001   0.9212 
1 1 1 6  22 2  o 11 1.73885e+02 1.52546e+01 1.01843e+02 17.070  4.03438e+00  1.23879e+00  0.00000e+00 0.00000e+00 1.42961e+02 17.070  4.11188e+01 17.070  0.8715 
1 1 1 6  22 3  o 11 2.24044e+02 1.47708e+01 1.21914e+02 222.892 -4.75836e+00 -4.42051e+00 0.00000e+00 0.00000e+00 2.11273e+02 222.892 8.93598e+01 222.892 0.9194 
1 1 1 6  22 4  o 3  1.52598e+02 1.82104e+01 1.34129e+02 218.026 -3.44780e+00 -2.69626e+00 0.00000e+00 0.00000e+00 8.26196e+01 218.026 5.15097e+01 38.026  0.8766 
1 1 1 6  22 5  o 19 6.35326e+01 2.29874e+01 6.10166e+01 86.789  4.45210e-02  7.93591e-01  0.00000e+00 0.00000e+00 2.29419e+01 266.789 8.39585e+01 266.789 0.3690 
1 1 1 6  22 6  o 19 1.61348e+02 1.68702e+01 1.10241e+02 282.913 8.88164e-01  -3.87384e+00 0.00000e+00 0.00000e+00 1.16400e+02 282.913 6.15877e+00 282.913 0.8625 
1 1 1 6  22 7  o 17 1.92575e+02 5.11934e+01 1.24299e+02 108.683 -1.19086e+00 3.52176e+00  0.00000e+00 0.00000e+00 1.43689e+02 108.683 1.93903e+01 108.683 0.8517 
1 1 1 6  22 8  o 2  3.60119e+02 1.33000e+01 1.81243e+02 110.753 -5.22739e+00 1.37955e+01  0.00000e+00 0.00000e+00 3.88999e+02 110.753 2.07757e+02 110.753 0.9655 
1 1 1 6  22 9  o 13 2.52363e+02 1.34465e+01 1.20799e+02 299.810 4.08045e+00  -7.12203e+00 0.00000e+00 0.00000e+00 2.68663e+02 299.810 1.47865e+02 299.810 0.9369 
1 1 1 6  22 10 o 2  2.54401e+02 1.35012e+01 1.02219e+02 228.216 -5.36716e+00 -6.00622e+00 0.00000e+00 0.00000e+00 2.91748e+02 228.216 1.89529e+02 228.216 0.9357 
1 1 1 6  22 12 o 9  6.77998e+01 3.17972e+01 5.77987e+01 74.130  3.27199e-01  1.15095e+00  0.00000e+00 0.00000e+00 2.62095e-01 74.130  5.75366e+01 254.130 0.5117 
1 1 1 6  22 13 o 14 1.08959e+02 4.07162e+01 5.61341e+01 12.795  1.60768e+00  3.65109e-01  0.00000e+00 0.00000e+00 5.96125e+01 12.795  3.47846e+00 12.795  0.6308 
1 1 1 6  22 14 o 9  5.03447e+01 2.06366e+01 4.77203e+01 225.493 -6.43187e-01 -6.54349e-01 0.00000e+00 0.00000e+00 1.21742e+01 45.493  5.98944e+01 45.493  0.4164 
1 1 1 6  22 15 o 17 8.99499e+01 3.26206e+01 3.90334e+01 164.219 -1.25712e+00 3.55292e-01  0.00000e+00 0.00000e+00 4.46220e+01 164.219 5.58855e+00 164.219 0.5445 
1 1 1 6  22 16 o 2  1.48379e+02 3.01593e+01 9.05214e+01 54.578  3.14538e+00  4.42240e+00  0.00000e+00 0.00000e+00 1.39981e+02 54.578  4.94593e+01 54.578  0.9024 
1 1 1 6  22 17 o 6  9.46856e+01 3.32835e+01 7.66771e+01 197.221 -2.95374e+00 -9.15495e-01 0.00000e+00 0.00000e+00 5.75357e+01 197.221 1.91414e+01 17.221  0.8166 
1 1 1 6  22 18 o 11 7.38209e+01 3.28796e+01 1.11606e+02 276.373 3.92928e-01  -3.51797e+00 0.00000e+00 0.00000e+00 2.60511e+00 96.373  1.14211e+02 96.373  0.8432 
1 1 1 6  22 19 o 7  7.75621e+01 3.17170e+01 6.79400e+01 183.449 -2.56024e+00 -1.54311e-01 0.00000e+00 0.00000e+00 3.78850e+01 183.449 3.00550e+01 3.449   0.7719 
1 1 1 6  22 20 f 0  1.11462e+02 2.30843e+01 4.65115e+01 64.822  1.27456e+00  2.71133e+00  0.00000e+00 0.00000e+00 1.14592e+02 64.822  6.80809e+01 64.822  0.8097 
1 1 1 6  22 21 o 11 7.45072e+01 2.97106e+01 7.59125e+01 57.745  1.78464e+00  2.82791e+00  0.00000e+00 0.00000e+00 3.59656e+01 57.745  3.99469e+01 237.745 0.8325 
1 1 1 6  22 22 o 14 7.03208e+01 2.63309e+01 5.59791e+01 173.222 -3.01804e+00 3.58698e-01  0.00000e+00 0.00000e+00 4.82420e+01 173.222 7.73713e+00 353.222 0.8128 
1 1 1 6  22 23 o 2  8.73669e+01 2.74725e+01 5.72245e+01 275.302 3.66458e-01  -3.94874e+00 0.00000e+00 0.00000e+00 8.16882e+01 275.302 2.44637e+01 275.302 0.8622 
1 1 1 6  22 24 o 3  7.25371e+01 2.89928e+01 2.63887e+01 25.720  1.42137e+00  6.84678e-01  0.00000e+00 0.00000e+00 5.68264e+01 25.720  3.04377e+01 25.720  0.6148 
1 1 1 6  22 25 o 6  4.79692e+01 2.25281e+01 2.09077e+01 282.992 2.57072e-01  -1.11423e+00 0.00000e+00 0.00000e+00 2.39475e+01 282.992 3.03971e+00 282.992 0.4949 
1 1 1 6  22 26 o 12 6.21291e+01 2.68089e+01 6.54590e+00 341.339 3.88368e-01  -1.31163e-01 0.00000e+00 0.00000e+00 1.73260e+01 341.339 1.07801e+01 341.339 0.2008 
1 1 1 6  22 27 o 10 5.67108e+01 2.73989e+01 3.88070e+01 113.010 -8.67594e-01 2.04293e+00  0.00000e+00 0.00000e+00 4.15666e+01 113.010 2.75955e+00 113.010 0.7307 
1 1 1 6  22 28 o 15 4.53441e+01 2.20924e+01 2.87744e+01 182.640 -1.93610e+00 -8.92856e-02 0.00000e+00 0.00000e+00 3.25196e+01 182.640 3.74515e+00 182.640 0.6874 
1 1 1 6  22 29 o 14 4.16507e+01 2.06795e+01 1.62290e+01 220.557 -8.83119e-01 -7.55771e-01 0.00000e+00 0.00000e+00 2.53998e+01 220.557 9.17075e+00 220.557 0.5010 
1 1 1 6  22 30 o 5  5.82006e+01 2.73733e+01 3.98411e+01 337.564 2.45761e+00  -1.01474e+00 0.00000e+00 0.00000e+00 5.22306e+01 337.564 1.23895e+01 337.564 0.7812 
1 1 1 6  23 0  o 4  1.72629e+02 4.46752e+01 9.88028e+01 180.000 -1.70249e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.68212e+02 180.000 6.94089e+01 180.000 0.9357 
1 1 1 6  23 1  o 8  2.06542e+02 1.34947e+01 1.20688e+02 326.971 4.81658e+00  -3.13133e+00 0.00000e+00 0.00000e+00 1.89465e+02 326.971 6.87769e+01 326.971 0.9082 
1 1 1 6  23 2  o 10 1.86347e+02 2.13026e+01 1.39085e+02 317.933 4.20488e+00  -3.79499e+00 0.00000e+00 0.00000e+00 1.40523e+02 317.933 1.43781e+00 317.933 0.9068 
1 1 1 6  23 3  o 6  8.80276e+01 2.02255e+01 7.41293e+01 225.557 -1.00221e+00 -1.02187e+00 0.00000e+00 0.00000e+00 1.02671e+01 225.557 6.38622e+01 45.557  0.5787 
1 1 1 6  23 4  o 16 1.03952e+02 2.53522e+01 1.62743e+02 97.479  -4.60556e-01 3.50820e+00  0.00000e+00 0.00000e+00 1.72880e+01 277.479 1.80031e+02 277.479 0.8431 
1 1 1 6  23 5  o 18 1.79970e+02 1.75629e+01 8.37494e+01 104.324 -9.89229e-01 3.87404e+00  0.00000e+00 0.00000e+00 1.74747e+02 104.324 9.09977e+01 104.324 0.8635 
1 1 1 6  23 6  o 18 1.41348e+02 1.94847e+01 4.74061e+01 190.794 -1.70313e+00 -3.24695e-01 0.00000e+00 0.00000e+00 1.05580e+02 190.794 5.81736e+01 190.794 0.6488 
1 1 1 6  23 7  o 15 1.70788e+02 5.61646e+01 5.35706e+01 151.138 -1.40920e+00 7.76703e-01  0.00000e+00 0.00000e+00 1.24201e+02 151.138 7.06307e+01 151.138 0.6220 
1 1 1 6  23 8  o 18 8.18192e+01 1.76689e+01 1.19605e+02 172.838 -3.21981e+00 4.04613e-01  0.00000e+00 0.00000e+00 5.99105e+00 352.838 1.25596e+02 352.838 0.8266 
1 1 1 6  23 10 o 2  3.67779e+02 1.58914e+01 2.33150e+02 357.878 3.03772e+01  -1.12541e+00 0.00000e+00 0.00000e+00 3.79976e+02 357.878 1.46827e+02 357.878 0.9834 
1 1 1 6  23 11 o 5  2.37168e+02 5.72760e+01 1.82519e+02 159.712 -7.97519e+00 2.94817e+00  0.00000e+00 0.00000e+00 1.97099e+02 159.712 1.45806e+01 159.712 0.9392 
1 1 1 6  23 12 o 3  6.27862e+01 2.64147e+01 8.95683e+01 230.443 -1.26524e+00 -1.53177e+00 0.00000e+00 0.00000e+00 1.47063e+01 50.443  1.04275e+02 50.443  0.6956 
1 1 1 6  23 13 o 15 9.72889e+01 4.17776e+01 2.09575e+01 305.935 3.67076e-01  -5.06444e-01 0.00000e+00 0.00000e+00 2.91174e+01 305.935 8.15993e+00 305.935 0.2984 
1 1 1 6  23 14 o 10 1.21285e+02 4.57980e+01 8.89308e+01 281.611 6.22757e-01  -3.03080e+00 0.00000e+00 0.00000e+00 8.31036e+01 281.611 5.82720e+00 101.611 0.8167 
1 1 1 6  23 15 o 8  1.02740e+02 3.33940e+01 1.28244e+02 311.862 3.23175e+00  -3.60668e+00 0.00000e+00 0.00000e+00 3.16577e+01 311.862 9.65862e+01 131.862 0.8896 
1 1 1 6  23 16 o 2  7.54401e+01 3.28712e+01 1.35144e+02 90.759  -5.86115e-02 4.42246e+00  0.00000e+00 0.00000e+00 1.83509e+01 270.759 1.53495e+02 270.759 0.8780 
1 1 1 6  23 17 o 6  5.95916e+01 2.28566e+01 5.57024e+01 96.021  -2.09190e-01 1.98341e+00  0.00000e+00 0.00000e+00 1.81311e+01 96.021  3.75713e+01 276.021 0.6969 
1 1 1 6  23 18 o 8  9.89224e+01 3.32369e+01 4.61243e+01 114.914 -8.36313e-01 1.80049e+00  0.00000e+00 0.00000e+00 7.72569e+01 114.914 3.11325e+01 114.914 0.6953 
1 1 1 6  23 19 o 7  8.96141e+01 3.04611e+01 9.15925e+01 248.165 -1.68631e+00 -4.20864e+00 0.00000e+00 0.00000e+00 5.14026e+01 248.165 4.01899e+01 68.165  0.8813 
1 1 1 6  23 20 o 8  5.49139e+01 2.27794e+01 2.96299e+01 351.129 1.23292e+00  -1.92436e-01 0.00000e+00 0.00000e+00 2.33201e+01 351.129 6.30975e+00 171.129 0.5274 
1 1 1 6  23 21 o 15 9.97316e+01 2.66681e+01 6.76284e+01 58.508  2.67810e+00  4.37171e+00  0.00000e+00 0.00000e+00 9.75037e+01 58.508  2.98752e+01 58.508  0.8962 
1 1 1 6  23 22 o 2  6.38844e+01 2.55908e+01 1.36908e+01 228.495 -4.94615e-01 -5.58954e-01 0.00000e+00 0.00000e+00 2.79964e+01 228.495 1.43057e+01 228.495 0.3494 
1 1 1 6  23 23 o 10 7.61098e+01 2.93208e+01 2.47228e+01 117.727 -6.97007e-01 1.32611e+00  0.00000e+00 0.00000e+00 6.09133e+01 117.727 3.61905e+01 117.727 0.5957 
1 1 1 6  23 24 o 12 7.47130e+01 2.80630e+01 3.60137e+01 170.804 -2.31693e+00 3.75080e-01  0.00000e+00 0.00000e+00 7.07057e+01 170.804 3.46920e+01 170.804 0.7473 
1 1 1 6  23 25 o 1  6.22326e+01 2.66415e+01 5.28161e+01 302.665 1.79566e+00  -2.80080e+00 0.00000e+00 0.00000e+00 4.73267e+01 302.665 5.48934e+00 122.665 0.8315 
1 1 1 6  23 26 o 13 7.14675e+01 2.89893e+01 3.77848e+01 332.893 2.21694e+00  -1.13481e+00 0.00000e+00 0.00000e+00 6.92411e+01 332.893 3.14563e+01 332.893 0.7640 
1 1 1 6  23 27 o 8  5.27299e+01 2.60667e+01 4.59517e+01 166.174 -2.71716e+00 6.68701e-01  0.00000e+00 0.00000e+00 3.72112e+01 166.174 8.74053e+00 346.174 0.7939 
1 1 1 6  23 28 o 16 6.14634e+01 2.97589e+01 1.89707e+01 73.288  3.20869e-01  1.06867e+00  0.00000e+00 0.00000e+00 4.11907e+01 73.288  2.22200e+01 73.288  0.4859 
1 1 1 6  23 29 o 14 5.32768e+01 2.52440e+01 2.68016e+01 345.612 1.81242e+00  -4.64953e-01 0.00000e+00 0.00000e+00 4.67341e+01 345.612 1.99325e+01 345.612 0.6754 
1 1 1 6  24 0  o 8  8.10934e+01 3.27393e+01 9.44447e+01 180.000 -1.10055e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.56109e+01 180.000 7.88338e+01 0.000   0.8007 
1 1 1 6  24 1  o 3  7.61359e+01 2.22263e+01 3.02801e+01 20.427  6.26808e-01  2.33440e-01  0.00000e+00 0.00000e+00 1.06414e+01 20.427  1.96387e+01 200.427 0.3170 
1 1 1 6  24 2  o 15 3.03219e+02 1.53713e+01 1.43867e+02 244.933 -6.35331e+00 -1.35835e+01 0.00000e+00 0.00000e+00 3.53133e+02 244.933 2.09266e+02 244.933 0.9661 
1 1 1 6  24 3  o 4  1.78902e+02 4.99567e+01 1.14657e+02 197.726 -4.03690e+00 -1.29037e+00 0.00000e+00 0.00000e+00 1.50388e+02 197.726 3.57306e+01 197.726 0.8721 
1 1 1 6  24 4  o 3  1.10284e+02 4.63442e+01 1.40079e+02 25.431  3.05698e+00  1.45361e+00  0.00000e+00 0.00000e+00 1.66104e+01 25.431  1.23469e+02 205.431 0.8349 
1 1 1 6  24 5  o 12 1.29164e+02 2.28465e+01 1.01410e+02 21.624  4.35598e+00  1.72678e+00  0.00000e+00 0.00000e+00 9.36872e+01 21.624  7.72248e+00 201.624 0.8855 
1 1 1 6  24 6  o 16 1.39391e+02 2.19477e+01 9.95079e+01 101.145 -9.63186e-01 4.88922e+00  0.00000e+00 0.00000e+00 1.13396e+02 101.145 1.38883e+01 101.145 0.8930 
1 1 1 6  24 7  o 4  9.06883e+01 2.54249e+01 7.52581e+01 60.611  1.06722e+00  1.89488e+00  0.00000e+00 0.00000e+00 3.74885e+01 60.611  3.77696e+01 240.611 0.7245 
1 1 1 6  24 8  o 5  3.45294e+02 1.70374e+01 2.51655e+02 258.406 -6.94457e+00 -3.38503e+01 0.00000e+00 0.00000e+00 3.34455e+02 258.406 8.27995e+01 258.406 0.9854 
1 1 1 6  24 9  o 6  1.37152e+02 1.52585e+01 8.74865e+01 328.305 4.09103e+00  -2.52622e+00 0.00000e+00 0.00000e+00 1.23378e+02 328.305 3.58918e+01 328.305 0.8887 
1 1 1 6  24 10 o 3  3.11726e+02 2.13162e+01 2.09947e+02 45.544  1.75037e+01  1.78391e+01  0.00000e+00 0.00000e+00 3.20954e+02 45.544  1.11007e+02 45.544  0.9798 
1 1 1 6  24 11 o 14 1.46563e+02 1.69606e+01 9.17563e+01 224.575 -5.18705e+00 -5.11068e+00 0.00000e+00 0.00000e+00 1.46058e+02 224.575 5.43021e+01 224.575 0.9286 
1 1 1 6  24 12 o 3  1.15948e+02 2.78388e+01 1.16746e+02 176.777 -5.80260e+00 3.26758e-01  0.00000e+00 0.00000e+00 6.85713e+01 176.777 4.81747e+01 356.777 0.9093 
1 1 1 6  24 14 o 12 8.92236e+01 3.60701e+01 2.83770e+00 342.990 9.58766e-02  -2.93300e-02 0.00000e+00 0.00000e+00 5.11778e+00 342.990 2.28008e+00 342.990 0.0501 
1 1 1 6  24 15 o 7  8.75875e+01 3.57689e+01 6.54643e+01 25.125  2.23088e+00  1.04620e+00  0.00000e+00 0.00000e+00 5.41109e+01 25.125  1.13534e+01 205.125 0.7610 
1 1 1 6  24 16 o 2  6.78073e+01 2.91359e+01 6.71754e+01 216.934 -1.90853e+00 -1.43473e+00 0.00000e+00 0.00000e+00 2.50407e+01 216.934 4.21347e+01 36.934  0.7522 
1 1 1 6  24 17 o 7  4.06907e+01 1.86581e+01 2.16897e+01 307.500 3.48619e-01  -4.54334e-01 0.00000e+00 0.00000e+00 1.27416e+00 127.500 2.29639e+01 127.500 0.2752 
1 1 1 6  24 18 o 17 8.30672e+01 2.41429e+01 2.39809e+01 176.277 -1.41302e+00 9.19453e-02  0.00000e+00 0.00000e+00 6.38187e+01 176.277 3.98378e+01 176.277 0.5747 
1 1 1 6  24 19 o 7  1.00129e+02 2.41597e+01 3.72284e+01 98.321  -4.16570e-01 2.84808e+00  0.00000e+00 0.00000e+00 1.11590e+02 98.321  7.43616e+01 98.321  0.8006 
1 1 1 6  24 20 o 7  9.81292e+01 2.51090e+01 6.49402e+01 356.724 5.38770e+00  -3.08386e-01 0.00000e+00 0.00000e+00 1.00976e+02 356.724 3.60360e+01 356.724 0.9018 
1 1 1 6  24 21 o 4  6.30117e+01 2.52577e+01 3.00915e+01 280.409 3.20159e-01  -1.74289e+00 0.00000e+00 0.00000e+00 4.82785e+01 280.409 1.81870e+01 280.409 0.6566 
1 1 1 6  24 22 o 3  4.83118e+01 2.22532e+01 1.15904e+01 293.226 2.41397e-01  -5.62512e-01 0.00000e+00 0.00000e+00 1.54768e+01 293.226 3.88641e+00 293.226 0.2926 
1 1 1 6  24 23 o 12 8.00963e+01 3.02309e+01 5.99563e+01 112.376 -1.43347e+00 3.48190e+00  0.00000e+00 0.00000e+00 7.25052e+01 112.376 1.25488e+01 112.376 0.8539 
1 1 1 6  24 24 o 3  5.72214e+01 2.50415e+01 3.30888e+01 226.524 -1.42718e+00 -1.50522e+00 0.00000e+00 0.00000e+00 4.64927e+01 226.524 1.34039e+01 226.524 0.7096 
1 1 1 6  24 25 o 11 4.89560e+01 2.28643e+01 3.18961e+01 246.368 -8.06037e-01 -1.84214e+00 0.00000e+00 0.00000e+00 3.60589e+01 246.368 4.16278e+00 246.368 0.6995 
1 1 1 6  24 26 o 7  5.50409e+01 2.52115e+01 2.92182e+01 93.417  -1.15795e-01 1.93956e+00  0.00000e+00 0.00000e+00 4.69172e+01 93.417  1.76990e+01 93.417  0.6882 
1 1 1 6  24 27 o 1  4.41267e+01 2.15124e+01 2.65694e+01 299.564 9.29068e-01  -1.63787e+00 0.00000e+00 0.00000e+00 3.43381e+01 299.564 7.76877e+00 299.564 0.6776 
1 1 1 6  24 28 o 5  4.16230e+01 2.12492e+01 1.58341e+01 275.657 1.08839e-01  -1.09878e+00 0.00000e+00 0.00000e+00 2.56112e+01 275.657 9.77715e+00 275.657 0.4821 
1 1 1 6  25 0  o 12 7.19086e+01 3.43677e+01 2.14174e+01 0.000   2.49862e-01  0.00000e+00  0.00000e+00 0.00000e+00 9.20764e+00 0.000   1.22098e+01 180.000 0.2448 
1 1 1 6  25 1  o 3  1.24295e+02 3.81573e+01 1.31065e+02 168.490 -4.16024e+00 8.47202e-01  0.00000e+00 0.00000e+00 5.76280e+01 168.490 7.34365e+01 348.490 0.8723 
1 1 1 6  25 2  o 19 1.77803e+02 2.44133e+01 1.37283e+02 105.426 -2.09775e+00 7.60215e+00  0.00000e+00 0.00000e+00 1.52018e+02 105.426 1.47352e+01 105.426 0.9343 
1 1 1 6  25 3  o 10 1.02526e+02 4.48502e+01 1.35360e+02 4.867   3.46198e+00  2.94788e-01  0.00000e+00 0.00000e+00 1.47740e+01 4.867   1.20586e+02 184.867 0.8398 
1 1 1 6  25 4  o 8  5.80558e+01 2.13628e+01 7.73582e+01 308.249 1.04878e+00  -1.33041e+00 0.00000e+00 0.00000e+00 1.23939e+01 128.249 8.97521e+01 128.249 0.6406 
1 1 1 6  25 5  o 19 1.08667e+02 2.57816e+01 9.65143e+01 255.017 -9.51477e-01 -3.55526e+00 0.00000e+00 0.00000e+00 6.52038e+01 255.017 3.13105e+01 75.017  0.8500 
1 1 1 6  25 6  f 0  8.70496e+01 2.67860e+01 5.42159e+01 255.589 -4.17221e-01 -1.62368e+00 0.00000e+00 0.00000e+00 4.31103e+01 255.589 1.11055e+01 75.589  0.6368 
1 1 1 6  25 7  o 12 1.11454e+02 2.49754e+01 9.66990e+01 105.751 -1.29915e+00 4.60626e+00  0.00000e+00 0.00000e+00 7.76678e+01 105.751 1.90311e+01 285.751 0.8882 
1 1 1 6  25 8  o 7  1.52803e+02 2.09248e+01 1.17098e+02 53.579  5.03982e+00  6.83054e+00  0.00000e+00 0.00000e+00 1.36625e+02 53.579  1.95270e+01 53.579  0.9391 
1 1 1 6  25 9  o 10 1.08860e+02 1.68542e+01 6.04392e+01 267.839 -1.34344e-01 -3.55997e+00 0.00000e+00 0.00000e+00 1.02769e+02 267.839 4.23300e+01 267.839 0.8443 
1 1 1 6  25 11 o 18 1.06142e+02 1.94892e+01 1.26305e+01 91.114  -1.26914e-02 6.52903e-01  0.00000e+00 0.00000e+00 4.64397e+01 91.114  3.38093e+01 91.114  0.3103 
1 1 1 6  25 12 o 14 1.02773e+02 2.03405e+01 1.08656e+02 64.424  2.84673e+00  5.94789e+00  0.00000e+00 0.00000e+00 6.20582e+01 64.424  4.65978e+01 244.424 0.9207 
1 1 1 6  25 13 o 11 6.12195e+01 2.76486e+01 1.83940e+01 96.314  -6.65861e-02 6.01814e-01  0.00000e+00 0.00000e+00 1.38020e+01 96.314  4.59204e+00 276.314 0.2897 
1 1 1 6  25 14 o 19 7.57581e+01 3.33104e+01 4.95726e+01 45.822  1.22371e+00  1.25935e+00  0.00000e+00 0.00000e+00 4.09049e+01 45.822  8.66768e+00 225.822 0.6533 
1 1 1 6  25 15 o 16 7.77008e+01 3.28653e+01 7.99848e+01 81.838  4.01274e-01  2.79772e+00  0.00000e+00 0.00000e+00 3.39448e+01 81.838  4.60400e+01 261.838 0.7963 
1 1 1 6  25 16 o 6  4.99451e+01 2.33019e+01 6.18137e+01 260.588 -3.47093e-01 -2.09383e+00 0.00000e+00 0.00000e+00 4.63449e+00 260.588 5.71792e+01 80.588  0.7169 
1 1 1 6  25 17 o 16 6.62116e+01 2.42580e+01 2.94210e+01 241.629 -6.80188e-01 -1.25952e+00 0.00000e+00 0.00000e+00 4.22859e+01 241.629 1.28648e+01 241.629 0.5787 
1 1 1 6  25 18 o 15 7.05480e+01 2.88706e+01 4.02802e+01 19.496  1.87540e+00  6.63948e-01  0.00000e+00 0.00000e+00 5.24250e+01 19.496  1.21448e+01 19.496  0.6960 
1 1 1 6  25 19 o 19 4.50473e+01 2.04080e+01 2.85326e+01 295.899 5.96424e-01  -1.22835e+00 0.00000e+00 0.00000e+00 1.96326e+01 295.899 8.90000e+00 115.899 0.5611 
1 1 1 6  25 20 o 5  5.18437e+01 2.24177e+01 2.17615e+01 138.906 -9.49125e-01 8.27809e-01  0.00000e+00 0.00000e+00 3.11970e+01 138.906 9.43543e+00 138.906 0.5308 
1 1 1 6  25 21 o 15 5.21204e+01 2.28030e+01 2.69696e+01 293.031 6.02893e-01  -1.41818e+00 0.00000e+00 0.00000e+00 3.44575e+01 293.031 7.48782e+00 293.031 0.6061 
1 1 1 6  25 22 o 6  4.50409e+01 2.11965e+01 4.12793e+01 71.730  7.16602e-01  2.17065e+00  0.00000e+00 0.00000e+00 2.41978e+01 71.730  1.70815e+01 251.730 0.7396 
1 1 1 6  25 23 o 1  6.05347e+01 2.57376e+01 2.56438e+01 175.696 -1.62225e+00 1.22104e-01  0.00000e+00 0.00000e+00 4.96900e+01 175.696 2.40462e+01 175.696 0.6260 
1 1 1 6  25 24 o 11 6.99518e+01 2.73310e+01 2.21993e+01 296.444 6.84452e-01  -1.37618e+00 0.00000e+00 0.00000e+00 6.29624e+01 296.444 4.07631e+01 296.444 0.6051 
1 1 1 6  25 25 o 3  4.15669e+01 2.02701e+01 1.60997e+01 239.377 -5.63090e-01 -9.51254e-01 0.00000e+00 0.00000e+00 2.47507e+01 239.377 8.65097e+00 239.377 0.4825 
1 1 1 6  25 26 o 15 5.35210e+01 2.46465e+01 1.36573e+01 116.819 -4.24835e-01 8.40348e-01  0.00000e+00 0.00000e+00 3.33087e+01 116.819 1.96514e+01 116.819 0.4253 
1 1 1 6  25 27 o 6  5.09045e+01 2.40490e+01 1.88730e+01 57.671  7.19537e-01  1.13690e+00  0.00000e+00 0.00000e+00 4.02585e+01 57.671  2.13855e+01 57.671  0.5555 
1 1 1 6  26 0  o 15 3.17367e+01 2.18404e+01 5.35457e+01 180.000 -4.45668e-01 -0.00000e+00 0.00000e+00 0.00000e+00 2.98104e+01 0.000   8.33560e+01 0.000   0.4183 
1 1 1 6  26 1  o 4  6.80605e+01 2.29580e+01 1.22317e+02 346.294 3.73438e+00  -9.10748e-01 0.00000e+00 0.00000e+00 1.79853e+01 166.294 1.40303e+02 166.294 0.8572 
1 1 1 6  26 2  o 1  1.36631e+02 2.47043e+01 8.64030e+01 321.494 4.11643e+00  -3.27504e+00 0.00000e+00 0.00000e+00 1.33435e+02 321.494 4.70317e+01 321.494 0.8991 
1 1 1 6  26 3  o 12 1.04530e+02 2.26032e+01 9.26881e+01 113.284 -1.89744e+00 4.40917e+00  0.00000e+00 0.00000e+00 7.37342e+01 113.284 1.89539e+01 293.284 0.8885 
1 1 1 6  26 4  o 7  9.88504e+01 2.98927e+01 1.00262e+02 203.207 -3.84298e+00 -1.64769e+00 0.00000e+00 0.00000e+00 5.41346e+01 203.207 4.61271e+01 23.207  0.8701 
1 1 1 6  26 5  o 6  6.43519e+01 2.64794e+01 3.71013e+01 222.162 -8.01272e-01 -7.25570e-01 0.00000e+00 0.00000e+00 1.78156e+01 222.162 1.92857e+01 42.162  0.4743 
1 1 1 6  26 6  o 2  6.88990e+01 2.61538e+01 5.74410e+01 326.020 1.46945e+00  -9.90394e-01 0.00000e+00 0.00000e+00 2.41685e+01 326.020 3.32726e+01 146.020 0.6566 
1 1 1 6  26 7  o 1  1.71045e+02 2.08808e+01 1.24033e+02 309.187 6.47144e+00  -7.93847e+00 0.00000e+00 0.00000e+00 1.70034e+02 309.187 4.60008e+01 309.187 0.9499 
1 1 1 6  26 8  o 15 4.80278e+01 2.08229e+01 9.53704e+01 54.433  1.27657e+00  1.78529e+00  0.00000e+00 0.00000e+00 3.19065e+01 234.433 1.27277e+02 234.433 0.7273 
1 1 1 6  26 9  o 17 1.80659e+02 1.60540e+01 1.15292e+02 96.377  -1.47415e+00 1.31901e+01  0.00000e+00 0.00000e+00 2.01679e+02 96.377  8.63872e+01 96.377  0.9616 
1 1 1 6  26 10 o 9  8.21982e+01 3.80170e+01 1.14738e+02 181.819 -3.56968e+00 -1.13372e-01 0.00000e+00 0.00000e+00 1.25702e+01 181.819 1.02168e+02 1.819   0.8448 
1 1 1 6  26 11 o 14 7.57724e+01 2.13348e+01 5.66373e+01 175.417 -2.71047e+00 2.17253e-01  0.00000e+00 0.00000e+00 5.32581e+01 175.417 3.37916e+00 355.417 0.7869 
1 1 1 6  26 12 o 12 8.63243e+01 2.26970e+01 8.76673e+01 324.657 3.56455e+00  -2.52787e+00 0.00000e+00 0.00000e+00 5.25845e+01 324.657 3.50828e+01 144.657 0.8764 
1 1 1 6  26 13 o 12 5.68080e+01 2.52530e+01 8.31482e+01 329.881 2.28732e+00  -1.32692e+00 0.00000e+00 0.00000e+00 5.00832e-01 149.881 8.36490e+01 149.881 0.7798 
1 1 1 6  26 14 o 7  6.07244e+01 2.83125e+01 5.56823e+01 20.951  1.86702e+00  7.14848e-01  0.00000e+00 0.00000e+00 2.38921e+01 20.951  3.17902e+01 200.951 0.6976 
1 1 1 6  26 15 o 15 6.92894e+01 3.02424e+01 9.26377e+01 169.527 -3.79430e+00 7.01354e-01  0.00000e+00 0.00000e+00 1.98318e+01 169.527 7.28059e+01 349.527 0.8579 
1 1 1 6  26 16 o 3  5.81650e+01 2.70327e+01 1.30132e+01 243.418 -2.35940e-01 -4.71539e-01 0.00000e+00 0.00000e+00 1.52581e+01 243.418 2.24483e+00 243.418 0.2549 
1 1 1 6  26 17 o 17 6.53693e+01 2.76999e+01 4.39742e+01 326.065 1.81432e+00  -1.22077e+00 0.00000e+00 0.00000e+00 4.73074e+01 326.065 3.33325e+00 326.065 0.7262 
1 1 1 6  26 18 o 8  6.35179e+01 2.40428e+01 8.51493e+00 210.059 -4.61213e-01 -2.66917e-01 0.00000e+00 0.00000e+00 2.32039e+01 210.059 1.46890e+01 210.059 0.2574 
1 1 1 6  26 19 o 14 5.29749e+01 2.24613e+01 2.28004e+01 6.205   1.30140e+00  1.41493e-01  0.00000e+00 0.00000e+00 3.37626e+01 6.205   1.09622e+01 6.205   0.5453 
1 1 1 6  26 20 o 12 6.13044e+01 2.88662e+01 4.33697e+01 218.881 -1.72063e+00 -1.38741e+00 0.00000e+00 0.00000e+00 4.50629e+01 218.881 1.69320e+00 218.881 0.7295 
1 1 1 6  26 21 o 9  5.90202e+01 2.43694e+01 3.86278e+00 28.722  2.13118e-01  1.16784e-01  0.00000e+00 0.00000e+00 1.03616e+01 28.722  6.49882e+00 28.722  0.1206 
1 1 1 6  26 22 o 12 4.85494e+01 2.25942e+01 3.97430e+01 146.465 -2.13076e+00 1.41219e+00  0.00000e+00 0.00000e+00 3.58614e+01 146.465 3.88164e+00 326.465 0.7710 
1 1 1 6  26 23 o 13 5.56273e+01 2.45752e+01 1.20309e+01 324.217 6.21462e-01  -4.47934e-01 0.00000e+00 0.00000e+00 2.85881e+01 324.217 1.65572e+01 324.217 0.3574 
1 1 1 6  26 24 o 7  4.69917e+01 2.20962e+01 1.84362e+01 6.372   1.23508e+00  1.37930e-01  0.00000e+00 0.00000e+00 3.26446e+01 6.372   1.42084e+01 6.372   0.5258 
1 1 1 6  26 25 o 15 3.99825e+01 1.95128e+01 9.27919e+00 232.431 -4.13893e-01 -5.38045e-01 0.00000e+00 0.00000e+00 1.76038e+01 232.431 8.32461e+00 232.431 0.3213 
1 1 1 6  26 26 o 11 4.43218e+01 2.14618e+01 2.30431e+01 265.439 -1.36169e-01 -1.70688e+00 0.00000e+00 0.00000e+00 3.75082e+01 265.439 1.44650e+01 265.439 0.6444 
1 1 1 6  27 0  o 5  4.03942e+01 2.62500e+01 5.73074e+00 180.000 -5.83053e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.40440e+00 0.000   7.13514e+00 0.000   0.0582 
1 1 1 6  27 1  o 7  4.90527e+01 2.04589e+01 6.39296e+01 325.374 1.25609e+00  -8.67356e-01 0.00000e+00 0.00000e+00 9.55576e+00 145.374 7.34854e+01 145.374 0.6026 
1 1 1 6  27 2  o 15 5.92639e+01 2.22315e+01 6.77451e+01 88.845  4.60011e-02  2.28207e+00  0.00000e+00 0.00000e+00 1.28910e+01 88.845  5.48541e+01 268.845 0.7391 
1 1 1 6  27 3  o 19 6.12239e+01 2.30505e+01 3.39277e+01 306.805 6.92179e-01  -9.25100e-01 0.00000e+00 0.00000e+00 2.23543e+01 306.805 1.15735e+01 126.805 0.4987 
1 1 1 6  27 4  o 17 8.10079e+01 2.35745e+01 4.89989e+01 302.022 1.15198e+00  -1.84201e+00 0.00000e+00 0.00000e+00 5.93204e+01 302.022 1.03215e+01 302.022 0.7242 
1 1 1 6  27 5  o 17 7.58417e+01 2.81289e+01 1.04010e+02 124.515 -2.21256e+00 3.21747e+00  0.00000e+00 0.00000e+00 1.66627e+01 124.515 8.73470e+01 304.515 0.8598 
1 1 1 6  27 6  o 3  1.55696e+02 2.16636e+01 7.69467e+01 173.405 -6.87069e+00 7.94416e-01  0.00000e+00 0.00000e+00 1.90201e+02 173.405 1.13254e+02 173.405 0.9246 
1 1 1 6  27 7  o 9  1.02127e+02 2.62222e+01 9.11521e+01 335.193 4.75587e+00  -2.19825e+00 0.00000e+00 0.00000e+00 7.97244e+01 335.193 1.14277e+01 155.193 0.8987 
1 1 1 6  27 8  o 17 1.36693e+02 2.61871e+01 8.93562e+01 308.043 4.35158e+00  -5.56109e+00 0.00000e+00 0.00000e+00 1.47262e+02 308.043 5.79058e+01 308.043 0.9262 
1 1 1 6  27 9  o 12 7.20466e+01 2.15835e+01 3.31343e+01 184.048 -1.54957e+00 -1.09652e-01 0.00000e+00 0.00000e+00 4.92293e+01 184.048 1.60949e+01 184.048 0.6091 
1 1 1 6  27 10 o 13 1.01139e+02 1.93138e+01 6.44562e+01 48.900  2.67549e+00  3.06693e+00  0.00000e+00 0.00000e+00 1.00760e+02 48.900  3.63039e+01 48.900  0.8662 
1 1 1 6  27 11 o 17 1.04314e+02 1.91512e+01 1.25398e+02 111.578 -3.79550e+00 9.59717e+00  0.00000e+00 0.00000e+00 6.25393e+01 111.578 6.28584e+01 291.578 0.9502 
1 1 1 6  27 12 o 17 4.82387e+01 1.98832e+01 1.36637e+01 277.373 6.96522e-02  -5.38270e-01 0.00000e+00 0.00000e+00 1.04247e+01 277.373 3.23906e+00 97.373  0.2619 
1 1 1 6  27 13 o 10 6.83088e+01 2.30031e+01 6.62990e+01 289.914 1.18866e+00  -3.28111e+00 0.00000e+00 0.00000e+00 4.38911e+01 289.914 2.24079e+01 109.914 0.8406 
1 1 1 6  27 14 o 6  4.43800e+01 2.12496e+01 1.54337e+01 69.945  2.01457e-01  5.51857e-01  0.00000e+00 0.00000e+00 8.72700e+00 69.945  6.70667e+00 249.945 0.2818 
1 1 1 6  27 15 o 10 7.26374e+01 3.16933e+01 6.26969e+01 223.111 -2.15020e+00 -2.01290e+00 0.00000e+00 0.00000e+00 5.12355e+01 223.111 1.14615e+01 43.111  0.8059 
1 1 1 6  27 16 o 6  6.54139e+01 2.95638e+01 3.14585e+01 98.130  -2.09136e-01 1.46391e+00  0.00000e+00 0.00000e+00 4.43580e+01 98.130  1.28995e+01 98.130  0.5908 
1 1 1 6  27 17 o 11 5.11095e+01 2.40711e+01 4.47133e+01 345.095 2.26157e+00  -6.01970e-01 0.00000e+00 0.00000e+00 3.07505e+01 345.095 1.39628e+01 165.095 0.7465 
1 1 1 6  27 18 o 15 5.98226e+01 2.39679e+01 1.15412e+01 52.362  4.34605e-01  5.63579e-01  0.00000e+00 0.00000e+00 2.84591e+01 52.362  1.69179e+01 52.362  0.3351 
1 1 1 6  27 19 o 14 5.24571e+01 2.48496e+01 5.15095e+01 104.683 -6.96002e-01 2.65627e+00  0.00000e+00 0.00000e+00 3.18903e+01 104.683 1.96193e+01 284.683 0.7893 
1 1 1 6  27 20 o 15 6.79998e+01 2.55115e+01 2.28008e+01 264.851 -1.46559e-01 -1.62648e+00 0.00000e+00 0.00000e+00 6.39769e+01 264.851 4.11761e+01 264.851 0.6273 
1 1 1 6  27 21 f 0  6.90057e+01 2.58936e+01 3.49193e+01 151.060 -2.25073e+00 1.24451e+00  0.00000e+00 0.00000e+00 7.46576e+01 151.060 3.97383e+01 151.060 0.7726 
1 1 1 6  27 22 o 10 5.45723e+01 2.45428e+01 1.51635e+01 193.429 -9.47836e-01 -2.26320e-01 0.00000e+00 0.00000e+00 3.44178e+01 193.429 1.92543e+01 193.429 0.4373 
1 1 1 6  27 23 o 8  4.93748e+01 2.31869e+01 3.98686e+01 300.642 1.32769e+00  -2.24125e+00 0.00000e+00 0.00000e+00 4.06431e+01 300.642 7.74449e-01 300.642 0.7760 
1 1 1 6  27 24 o 1  4.62504e+01 2.17893e+01 4.83892e+00 82.737  4.41234e-02  3.46219e-01  0.00000e+00 0.00000e+00 1.20683e+01 82.737  7.22938e+00 82.737  0.1719 
1 1 1 6  27 25 o 6  4.67892e+01 2.21512e+01 2.97251e+01 123.999 -1.22419e+00 1.81503e+00  0.00000e+00 0.00000e+00 4.34621e+01 123.999 1.37370e+01 123.999 0.7265 
1 1 1 6  28 0  o 4  6.14447e+01 3.25278e+01 5.17047e+01 0.000   1.00855e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.73297e+01 0.000   1.43750e+01 180.000 0.7652 
1 1 1 6  28 1  o 14 3.44551e+01 1.63772e+01 1.52226e+01 326.482 3.29090e-01  -2.17966e-01 0.00000e+00 0.00000e+00 2.58610e+00 146.482 1.78087e+01 146.482 0.1936 
1 1 1 6  28 2  o 2  1.11788e+02 2.07750e+01 1.35349e+02 191.909 -9.96509e+00 -2.10156e+00 0.00000e+00 0.00000e+00 6.58736e+01 191.909 6.94750e+01 11.909  0.9496 
1 1 1 6  28 3  o 15 1.05629e+02 2.42195e+01 8.36542e+01 71.989  1.66974e+00  5.13542e+00  0.00000e+00 0.00000e+00 9.71671e+01 71.989  1.35128e+01 71.989  0.9019 
1 1 1 6  28 4  o 7  1.08413e+02 3.23953e+01 1.10259e+02 356.942 5.73406e+00  -3.06313e-01 0.00000e+00 0.00000e+00 7.69442e+01 356.942 3.33147e+01 176.942 0.9082 
1 1 1 6  28 5  o 1  6.07538e+01 2.55472e+01 8.97633e+01 284.352 7.31733e-01  -2.85978e+00 0.00000e+00 0.00000e+00 3.59728e+00 284.352 8.61660e+01 104.352 0.8064 
1 1 1 6  28 6  f 0  6.88116e+01 2.62907e+01 5.98422e+01 308.676 1.35907e+00  -1.69783e+00 0.00000e+00 0.00000e+00 3.54274e+01 308.676 2.44149e+01 128.676 0.7245 
1 1 1 6  28 7  o 7  1.10052e+02 2.55464e+01 1.19336e+02 117.238 -3.35992e+00 6.52715e+00  0.00000e+00 0.00000e+00 7.67168e+01 117.238 4.26187e+01 297.238 0.9292 
1 1 1 6  28 8  o 11 1.02630e+02 2.62293e+01 7.79565e+01 117.630 -2.35940e+00 4.50728e+00  0.00000e+00 0.00000e+00 9.88946e+01 117.630 2.09381e+01 117.630 0.8954 
1 1 1 6  28 9  o 8  7.96273e+01 3.68976e+01 9.84019e+01 268.292 -1.09002e-01 -3.65608e+00 0.00000e+00 0.00000e+00 3.22533e+01 268.292 6.61486e+01 88.292  0.8489 
1 1 1 6  28 10 o 2  6.24643e+01 2.14768e+01 6.05313e+01 356.014 3.07844e+00  -2.14514e-01 0.00000e+00 0.00000e+00 3.84763e+01 356.014 2.20551e+01 176.014 0.8161 
1 1 1 6  28 11 o 1  3.38477e+01 1.58794e+01 3.64233e+01 322.503 1.01656e+00  -7.79944e-01 0.00000e+00 0.00000e+00 9.19881e-01 142.503 3.73431e+01 142.503 0.5372 
1 1 1 6  28 12 o 6  6.57599e+01 2.23643e+01 1.46602e+01 350.397 8.56894e-01  -1.44973e-01 0.00000e+00 0.00000e+00 3.67470e+01 350.397 2.20869e+01 350.397 0.3981 
1 1 1 6  28 13 o 15 5.00910e+01 2.07502e+01 3.23830e+01 141.067 -1.27656e+00 1.03127e+00  0.00000e+00 0.00000e+00 2.98933e+01 141.067 2.48972e+00 321.067 0.6291 
1 1 1 6  28 14 o 10 4.19524e+01 1.90640e+01 4.96288e+01 171.821 -2.56522e+00 3.68690e-01  0.00000e+00 0.00000e+00 1.50288e+01 171.821 3.46000e+01 351.821 0.7746 
1 1 1 6  28 15 o 19 5.24655e+01 2.37853e+01 3.17373e+01 9.078   1.70403e+00  2.72255e-01  0.00000e+00 0.00000e+00 3.63166e+01 9.078   4.57922e+00 9.078   0.6472 
1 1 1 6  28 16 o 3  6.49565e+01 2.99414e+01 2.84143e+01 267.325 -6.64322e-02 -1.42213e+00 0.00000e+00 0.00000e+00 4.72554e+01 267.325 1.88411e+01 267.325 0.5767 
1 1 1 6  28 17 o 8  6.20890e+01 2.92315e+01 4.30895e+01 300.148 1.08248e+00  -1.86376e+00 0.00000e+00 0.00000e+00 4.81833e+01 300.148 5.09376e+00 300.148 0.7217 
1 1 1 6  28 18 o 10 4.29751e+01 2.11457e+01 2.18286e+01 22.671  1.08713e+00  4.54114e-01  0.00000e+00 0.00000e+00 2.28544e+01 22.671  1.02585e+00 22.671  0.5060 
1 1 1 6  28 19 o 4  5.46371e+01 2.34872e+01 3.07575e+01 116.696 -9.37507e-01 1.86436e+00  0.00000e+00 0.00000e+00 4.98796e+01 116.696 1.91222e+01 116.696 0.7115 
1 1 1 6  28 20 o 10 4.83962e+01 2.19354e+01 8.13689e+00 103.798 -1.24620e-01 5.07429e-01  0.00000e+00 0.00000e+00 1.74836e+01 103.798 9.34670e+00 103.798 0.2527 
1 1 1 6  28 21 o 4  4.68186e+01 2.19673e+01 1.38156e+01 101.862 -1.92556e-01 9.16742e-01  0.00000e+00 0.00000e+00 2.81523e+01 101.862 1.43367e+01 101.862 0.4235 
1 1 1 6  28 22 o 15 4.93525e+01 2.25919e+01 3.67519e+00 156.866 -2.42827e-01 1.03745e-01  0.00000e+00 0.00000e+00 1.01462e+01 156.866 6.47097e+00 156.866 0.1309 
1 1 1 6  28 23 o 16 4.75783e+01 2.21830e+01 1.44913e+01 339.582 9.84842e-01  -3.66618e-01 0.00000e+00 0.00000e+00 3.32944e+01 339.582 1.88030e+01 339.582 0.4641 
1 1 1 6  28 24 o 5  4.03868e+01 1.96517e+01 9.38721e+00 202.667 -6.62437e-01 -2.76653e-01 0.00000e+00 0.00000e+00 2.04735e+01 202.667 1.10863e+01 202.667 0.3376 
1 1 1 6  29 0  o 13 3.35510e+01 2.27808e+01 1.73283e+01 0.000   2.52301e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.14522e+00 180.000 1.84735e+01 180.000 0.2471 
1 1 1 6  29 1  o 2  6.97909e+01 2.40799e+01 9.25941e+01 40.002  3.37789e+00  2.83462e+00  0.00000e+00 0.00000e+00 2.70054e+01 40.002  6.55887e+01 220.002 0.8776 
1 1 1 6  29 2  o 1  8.91361e+01 2.82279e+01 9.90825e+01 316.271 3.80042e+00  -3.63545e+00 0.00000e+00 0.00000e+00 5.75210e+01 316.271 4.15615e+01 136.271 0.8991 
1 1 1 6  29 3  o 1  1.39706e+02 3.03420e+01 7.87366e+01 245.398 -2.53883e+00 -5.54483e+00 0.00000e+00 0.00000e+00 1.71068e+02 245.398 9.23309e+01 245.398 0.9139 
1 1 1 6  29 4  o 8  9.04793e+01 2.64060e+01 1.02445e+02 136.134 -4.45884e+00 4.28576e+00  0.00000e+00 0.00000e+00 5.98492e+01 136.134 4.25963e+01 316.134 0.9151 
1 1 1 6  29 5  o 14 4.49119e+01 2.06079e+01 1.88602e+01 306.886 4.11254e-01  -5.48010e-01 0.00000e+00 0.00000e+00 9.72042e+00 306.886 9.13978e+00 126.886 0.3239 
1 1 1 6  29 6  o 17 7.57398e+01 2.63080e+01 8.31336e+01 323.751 3.50428e+00  -2.56936e+00 0.00000e+00 0.00000e+00 4.75106e+01 323.751 3.56229e+01 143.751 0.8756 
1 1 1 6  29 7  o 17 6.83858e+01 2.53339e+01 1.87892e+01 31.510  7.78874e-01  4.77483e-01  0.00000e+00 0.00000e+00 3.72934e+01 31.510  1.85042e+01 31.510  0.4149 
1 1 1 6  29 8  o 6  1.11848e+02 2.14780e+01 6.59380e+01 169.780 -6.22089e+00 1.12154e+00  0.00000e+00 0.00000e+00 1.37560e+02 169.780 7.16216e+01 169.780 0.9171 
1 1 1 6  29 9  o 10 4.93299e+01 2.01026e+01 1.68312e+01 333.750 7.35068e-01  -3.62503e-01 0.00000e+00 0.00000e+00 2.04042e+01 333.750 3.57305e+00 333.750 0.3788 
1 1 1 6  29 10 o 2  4.45865e+01 1.94480e+01 5.55275e+01 89.151  3.93188e-02  2.65316e+00  0.00000e+00 0.00000e+00 1.41610e+01 89.151  4.13665e+01 269.151 0.7807 
1 1 1 6  29 11 o 1  3.15002e+01 1.53228e+01 4.47262e+01 247.805 -7.05002e-01 -1.72799e+00 0.00000e+00 0.00000e+00 1.96079e+00 67.805  4.66870e+01 67.805  0.6745 
1 1 1 6  29 12 o 19 1.05765e+02 2.11154e+01 4.92052e+01 278.374 8.51957e-01  -5.78784e+00 0.00000e+00 0.00000e+00 1.45625e+02 278.374 9.64195e+01 278.374 0.9100 
1 1 1 6  29 13 o 5  5.82069e+01 2.53355e+01 6.04300e+01 124.020 -1.84718e+00 2.73646e+00  0.00000e+00 0.00000e+00 3.79919e+01 124.020 2.24381e+01 304.020 0.8300 
1 1 1 6  29 14 o 8  4.95614e+01 2.10664e+01 1.61537e+01 253.102 -2.76519e-01 -9.10238e-01 0.00000e+00 0.00000e+00 2.74431e+01 253.102 1.12894e+01 253.102 0.4289 
1 1 1 6  29 15 o 17 4.81648e+01 2.11842e+01 1.52988e+01 8.444   8.78384e-01  1.30400e-01  0.00000e+00 0.00000e+00 2.50353e+01 8.444   9.73649e+00 8.444   0.4053 
1 1 1 6  29 16 o 13 5.80379e+01 2.76725e+01 4.30026e+01 65.777  9.06829e-01  2.01563e+00  0.00000e+00 0.00000e+00 4.51548e+01 65.777  2.15221e+00 65.777  0.7294 
1 1 1 6  29 17 o 10 5.93829e+01 2.82597e+01 1.54312e+01 133.167 -5.87026e-01 6.25837e-01  0.00000e+00 0.00000e+00 3.36774e+01 133.167 1.82462e+01 133.167 0.3938 
1 1 1 6  29 18 o 10 6.09366e+01 2.90238e+01 2.43221e+01 242.458 -6.02376e-01 -1.15506e+00 0.00000e+00 0.00000e+00 4.58290e+01 242.458 2.15069e+01 242.458 0.5434 
1 1 1 6  29 19 o 9  5.45806e+01 2.56948e+01 4.26694e+01 252.115 -7.74342e-01 -2.39953e+00 0.00000e+00 0.00000e+00 4.68792e+01 252.115 4.20979e+00 252.115 0.7673 
1 1 1 6  29 20 o 9  4.62820e+01 2.15167e+01 5.74296e+00 153.809 -3.47925e-01 1.71134e-01  0.00000e+00 0.00000e+00 1.32769e+01 153.809 7.53391e+00 153.809 0.1903 
1 1 1 6  29 21 o 2  5.50726e+01 2.46888e+01 2.45926e+01 83.843  1.82142e-01  1.68847e+00  0.00000e+00 0.00000e+00 5.24841e+01 83.843  2.78916e+01 83.843  0.6415 
1 1 1 6  29 22 o 14 4.15535e+01 1.99287e+01 2.79562e+01 325.301 1.76252e+00  -1.22039e+00 0.00000e+00 0.00000e+00 3.80343e+01 325.301 1.00782e+01 325.301 0.7200 
1 1 1 6  30 0  f 0  3.93479e+01 2.60055e+01 6.96190e+00 180.000 -1.31580e-01 -0.00000e+00 0.00000e+00 0.00000e+00 3.40848e+00 180.000 3.55342e+00 0.000   0.1308 
1 1 1 6  30 1  f 0  4.08718e+01 1.88583e+01 4.45715e+01 224.311 -1.23094e+00 -1.20168e+00 0.00000e+00 0.00000e+00 8.63706e+00 224.311 3.59344e+01 44.311  0.6461 
1 1 1 6  30 2  o 19 4.26548e+01 1.93275e+01 2.55066e+01 345.305 1.07837e+00  -2.82810e-01 0.00000e+00 0.00000e+00 1.62636e+01 345.305 9.24300e+00 165.305 0.4856 
1 1 1 6  30 3  o 8  5.68932e+01 2.24453e+01 6.31509e+00 323.482 2.60307e-01  -1.92742e-01 0.00000e+00 0.00000e+00 1.20489e+01 323.482 5.73385e+00 323.482 0.1599 
1 1 1 6  30 4  o 4  4.61969e+01 2.09458e+01 4.87672e+01 219.676 -1.65724e+00 -1.37471e+00 0.00000e+00 0.00000e+00 1.86417e+01 219.676 3.01255e+01 39.676  0.7214 
1 1 1 6  30 5  o 17 5.59786e+01 2.36839e+01 2.01418e+01 111.733 -3.74965e-01 9.40686e-01  0.00000e+00 0.00000e+00 3.10240e+01 111.733 1.08822e+01 111.733 0.4509 
1 1 1 6  30 6  o 14 3.98104e+01 1.90081e+01 3.96243e+01 65.414  7.17446e-01  1.56809e+00  0.00000e+00 0.00000e+00 1.27318e+01 65.414  2.68925e+01 245.415 0.6469 
1 1 1 6  30 7  o 8  4.19511e+01 1.96456e+01 1.71471e+01 322.352 6.30061e-01  -4.86051e-01 0.00000e+00 0.00000e+00 1.44585e+01 322.352 2.68862e+00 142.352 0.3694 
1 1 1 6  30 8  o 6  8.21103e+01 2.47007e+01 3.80162e+01 266.027 -2.05120e-01 -2.95329e+00 0.00000e+00 0.00000e+00 9.76485e+01 266.027 5.96323e+01 266.027 0.8070 
1 1 1 6  30 9  o 2  6.88450e+01 2.28390e+01 5.12708e+01 33.664  3.18795e+00  2.12318e+00  0.00000e+00 0.00000e+00 6.99932e+01 33.664  1.87224e+01 33.664  0.8567 
1 1 1 6  30 10 o 15 4.44739e+01 1.95930e+01 3.02873e+01 199.517 -1.58281e+00 -5.61038e-01 0.00000e+00 0.00000e+00 2.82822e+01 199.517 2.00509e+00 19.517  0.6374 
1 1 1 6  30 11 o 17 7.40289e+01 2.46214e+01 5.11266e+01 212.993 -3.14477e+00 -2.04169e+00 0.00000e+00 0.00000e+00 8.00492e+01 212.993 2.89226e+01 212.993 0.8531 
1 1 1 6  30 12 o 15 9.26275e+01 2.41420e+01 7.70667e+01 57.806  3.92900e+00  6.24059e+00  0.00000e+00 0.00000e+00 1.02793e+02 57.806  2.57263e+01 57.806  0.9295 
1 1 1 6  30 13 o 6  4.80279e+01 2.07010e+01 3.54641e+01 140.935 -1.65627e+00 1.34434e+00  0.00000e+00 0.00000e+00 3.70785e+01 140.935 1.61448e+00 140.935 0.7185 
1 1 1 6  30 14 o 12 5.05531e+01 2.35757e+01 5.63980e+01 310.508 2.02105e+00  -2.36568e+00 0.00000e+00 0.00000e+00 3.11187e+01 310.508 2.52793e+01 130.508 0.8179 
1 1 1 6  30 15 o 9  4.01174e+01 1.87739e+01 4.04683e+01 345.624 2.61118e+00  -6.69293e-01 0.00000e+00 0.00000e+00 2.66522e+01 345.624 1.38162e+01 165.624 0.7847 
1 1 1 6  30 16 o 7  6.40464e+01 2.74064e+01 1.08492e+01 116.752 -2.98160e-01 5.91480e-01  0.00000e+00 0.00000e+00 3.24023e+01 116.752 2.15531e+01 116.752 0.3143 
1 1 1 6  30 17 o 3  7.10047e+01 3.25909e+01 1.13103e+01 93.863  -3.96345e-02 5.86900e-01  0.00000e+00 0.00000e+00 3.20911e+01 93.863  2.07808e+01 93.863  0.2821 
1 1 1 6  30 18 o 4  5.10097e+01 2.53939e+01 4.44987e+01 131.589 -1.69781e+00 1.91303e+00  0.00000e+00 0.00000e+00 4.14913e+01 131.589 3.00745e+00 311.589 0.7711 
1 1 1 6  30 19 o 4  5.37870e+01 2.58368e+01 1.57119e+01 231.002 -6.06725e-01 -7.49309e-01 0.00000e+00 0.00000e+00 3.57426e+01 231.002 2.00307e+01 231.002 0.4335 
1 1 1 6  30 20 o 18 4.92706e+01 2.24486e+01 9.80363e+00 44.522  5.05079e-01  4.96718e-01  0.00000e+00 0.00000e+00 2.68334e+01 44.522  1.70298e+01 44.522  0.3337 
1 1 1 6  30 21 o 1  3.87655e+01 1.89428e+01 5.20138e+00 356.071 3.97338e-01  -2.72880e-02 0.00000e+00 0.00000e+00 1.18438e+01 356.071 6.64240e+00 356.071 0.1953 
1 1 1 6  31 0  o 18 5.26229e+01 3.23534e+01 5.46140e+01 0.000   1.48251e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.41625e+01 0.000   1.04515e+01 180.000 0.9019 
1 1 1 6  31 1  o 12 8.05078e+01 2.55586e+01 9.55851e+01 205.565 -6.28360e+00 -3.00591e+00 0.00000e+00 0.00000e+00 5.94608e+01 205.565 3.61242e+01 25.565  0.9251 
1 1 1 6  31 2  o 17 4.46563e+01 2.02340e+01 7.32418e+01 172.831 -3.80953e+00 4.79179e-01  0.00000e+00 0.00000e+00 6.49024e+00 172.831 6.67516e+01 352.831 0.8571 
1 1 1 6  31 3  o 13 3.59669e+01 1.72515e+01 3.35459e+01 49.545  1.06270e+00  1.24626e+00  0.00000e+00 0.00000e+00 1.35985e+01 49.545  1.99474e+01 229.545 0.6284 
1 1 1 6  31 4  o 12 4.48473e+01 2.06316e+01 5.29886e+01 23.935  2.63223e+00  1.16838e+00  0.00000e+00 0.00000e+00 2.20457e+01 23.935  3.09429e+01 203.935 0.8007 
1 1 1 6  31 5  o 8  3.12147e+01 1.56409e+01 3.03062e+01 331.529 1.30338e+00  -7.06819e-01 0.00000e+00 0.00000e+00 8.38334e+00 331.529 2.19229e+01 151.529 0.5918 
1 1 1 6  31 6  o 9  3.40956e+01 1.68904e+01 2.19712e+01 223.313 -7.78483e-01 -7.33940e-01 0.00000e+00 0.00000e+00 1.17271e+01 223.313 1.02441e+01 43.313  0.4706 
1 1 1 6  31 7  o 18 4.45470e+01 2.09151e+01 2.18772e+01 208.353 -1.02722e+00 -5.54329e-01 0.00000e+00 0.00000e+00 2.52901e+01 208.353 3.41287e+00 208.353 0.5025 
1 1 1 6  31 8  f 0  6.46042e+01 2.76656e+01 3.76047e+01 310.741 1.33728e+00  -1.55247e+00 0.00000e+00 0.00000e+00 5.88159e+01 310.741 2.12112e+01 310.741 0.7057 
1 1 1 6  31 9  o 16 4.08219e+01 1.96500e+01 4.19839e+01 91.389  -5.43035e-02 2.23972e+00  0.00000e+00 0.00000e+00 2.16220e+01 91.389  2.03619e+01 271.389 0.7336 
1 1 1 6  31 10 o 17 7.16445e+01 2.39192e+01 2.27213e+01 173.629 -1.69650e+00 1.89426e-01  0.00000e+00 0.00000e+00 7.56471e+01 173.629 5.29258e+01 173.629 0.6433 
1 1 1 6  31 11 o 11 5.05512e+01 2.15066e+01 2.86343e+01 283.808 4.21854e-01  -1.71641e+00 0.00000e+00 0.00000e+00 4.24802e+01 283.808 1.38459e+01 283.808 0.6557 
1 1 1 6  31 12 o 11 4.63301e+01 2.03787e+01 3.73026e+01 83.027  2.91033e-01  2.37966e+00  0.00000e+00 0.00000e+00 3.80222e+01 83.027  7.19561e-01 83.027  0.7534 
1 1 1 6  31 13 o 7  8.02568e+01 2.46863e+01 4.69113e+01 251.153 -1.35787e+00 -3.97798e+00 0.00000e+00 0.00000e+00 1.04887e+02 251.153 5.79756e+01 251.153 0.8709 
1 1 1 6  31 14 o 14 3.49865e+01 1.67177e+01 1.86258e+01 7.126   1.18697e+00  1.48391e-01  0.00000e+00 0.00000e+00 2.05127e+01 7.126   1.88687e+00 7.126   0.5116 
1 1 1 6  31 15 o 4  7.28076e+01 2.45404e+01 2.29154e+01 76.628  4.62164e-01  1.94415e+00  0.00000e+00 0.00000e+00 8.89422e+01 76.628  6.60268e+01 76.628  0.6975 
1 1 1 6  31 16 o 5  4.93969e+01 2.17342e+01 3.33579e+01 287.219 6.92522e-01  -2.23460e+00 0.00000e+00 0.00000e+00 4.84845e+01 287.219 1.51266e+01 287.219 0.7463 
1 1 1 6  31 17 o 8  4.63684e+01 2.25608e+01 7.87070e+00 33.491  4.30133e-01  2.84599e-01  0.00000e+00 0.00000e+00 1.80437e+01 33.491  1.01730e+01 33.491  0.2497 
1 1 1 6  31 18 o 11 5.41068e+01 2.69641e+01 2.09667e+01 147.398 -1.01733e+00 6.50656e-01  0.00000e+00 0.00000e+00 4.19778e+01 147.398 2.10111e+01 147.398 0.5151 
1 1 1 6  31 19 o 16 4.56150e+01 2.31412e+01 1.67480e+01 37.763  8.49523e-01  6.58078e-01  0.00000e+00 0.00000e+00 3.23509e+01 37.763  1.56028e+01 37.763  0.4722 
1 1 1 6  32 0  o 5  3.64479e+01 2.49742e+01 1.74292e+01 0.000   4.64359e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.65868e+01 0.000   8.42445e-01 180.000 0.4336 
1 1 1 6  32 1  o 19 4.69289e+01 2.12477e+01 5.62994e+01 10.559  3.11241e+00  5.80160e-01  0.00000e+00 0.00000e+00 2.66996e+01 10.559  2.95998e+01 190.559 0.8215 
1 1 1 6  32 2  o 12 5.84989e+01 2.37580e+01 4.26873e+01 149.330 -2.24443e+00 1.33108e+00  0.00000e+00 0.00000e+00 5.51622e+01 149.330 1.24749e+01 149.330 0.7764 
1 1 1 6  32 3  o 11 4.97611e+01 2.16840e+01 2.63576e+01 136.089 -1.10289e+00 1.06174e+00  0.00000e+00 0.00000e+00 3.84419e+01 136.089 1.20843e+01 136.089 0.6037 
1 1 1 6  32 4  o 10 8.05985e+01 2.69393e+01 3.47638e+01 350.563 2.46659e+00  -4.09958e-01 0.00000e+00 0.00000e+00 9.84826e+01 350.563 6.37188e+01 350.563 0.7650 
1 1 1 6  32 5  o 12 4.99348e+01 2.30383e+01 4.52157e+01 297.642 1.14817e+00  -2.19231e+00 0.00000e+00 0.00000e+00 3.72198e+01 297.642 7.99593e+00 117.642 0.7622 
1 1 1 6  32 6  o 19 4.49266e+01 2.12981e+01 2.74694e+01 202.719 -1.40705e+00 -5.89125e-01 0.00000e+00 0.00000e+00 3.13046e+01 202.719 3.83511e+00 202.719 0.6023 
1 1 1 6  32 7  o 11 6.86589e+01 2.93339e+01 3.46703e+01 143.019 -1.51471e+00 1.14063e+00  0.00000e+00 0.00000e+00 6.70569e+01 143.019 3.23866e+01 143.019 0.6800 
1 1 1 6  32 8  o 14 5.95024e+01 2.57499e+01 2.62862e+01 0.435   1.57494e+00  1.19635e-02  0.00000e+00 0.00000e+00 5.36411e+01 0.435   2.73549e+01 0.435   0.6141 
1 1 1 6  32 9  o 6  4.16606e+01 2.00122e+01 3.30005e+01 221.545 -1.55999e+00 -1.38236e+00 0.00000e+00 0.00000e+00 3.20796e+01 221.545 9.20847e-01 41.545  0.7112 
1 1 1 6  32 10 o 5  5.40924e+01 2.23750e+01 2.39240e+01 136.191 -1.19244e+00 1.14386e+00  0.00000e+00 0.00000e+00 5.14852e+01 136.191 2.75612e+01 136.191 0.6316 
1 1 1 6  32 11 o 12 5.15780e+01 2.17689e+01 4.33773e+01 34.380  2.42589e+00  1.65977e+00  0.00000e+00 0.00000e+00 4.87987e+01 34.380  5.42131e+00 34.380  0.8054 
1 1 1 6  32 12 o 9  4.15491e+01 1.90811e+01 3.77479e+01 199.791 -2.40248e+00 -8.64528e-01 0.00000e+00 0.00000e+00 3.37168e+01 199.791 4.03111e+00 19.791  0.7707 
1 1 1 6  32 13 o 8  3.55447e+01 1.70432e+01 3.01511e+01 330.359 1.87768e+00  -1.06844e+00 0.00000e+00 0.00000e+00 2.75216e+01 330.359 2.62945e+00 150.359 0.7224 
1 1 1 6  32 14 o 5  5.08942e+01 2.16187e+01 2.11230e+01 55.921  9.11454e-01  1.34726e+00  0.00000e+00 0.00000e+00 5.09106e+01 55.921  2.97876e+01 55.921  0.6259 
1 1 1 6  32 15 o 5  5.74513e+01 2.30845e+01 4.32090e+01 193.385 -3.25000e+00 -7.73341e-01 0.00000e+00 0.00000e+00 6.57161e+01 193.385 2.25071e+01 193.385 0.8323 
1 1 1 6  32 16 o 12 4.03840e+01 1.88507e+01 2.19803e+01 324.776 1.38206e+00  -9.75792e-01 0.00000e+00 0.00000e+00 3.73648e+01 324.776 1.53845e+01 324.776 0.6401 
1 1 1 6  32 17 o 7  4.83382e+01 2.18282e+01 1.76722e+01 81.771  1.87945e-01  1.29956e+00  0.00000e+00 0.00000e+00 4.34721e+01 81.771  2.57999e+01 81.771  0.5464 
1 1 1 6  33 0  o 19 4.43783e+01 2.90497e+01 7.04370e+00 180.000 -2.27862e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.51054e+01 180.000 8.06168e+00 180.000 0.2240 
1 1 1 6  33 1  o 7  5.39860e+01 2.32038e+01 3.19263e+01 340.069 1.98596e+00  -7.20104e-01 0.00000e+00 0.00000e+00 5.41502e+01 340.069 2.22240e+01 340.069 0.7154 
1 1 1 6  33 2  f 0  6.27778e+01 2.48875e+01 5.00983e+01 21.402  3.22891e+00  1.26552e+00  0.00000e+00 0.00000e+00 6.74355e+01 21.402  1.73372e+01 21.402  0.8394 
1 1 1 6  33 3  o 14 5.12054e+01 2.23831e+01 1.78544e+01 155.478 -1.07199e+00 4.89043e-01  0.00000e+00 0.00000e+00 4.00076e+01 155.478 2.21533e+01 155.478 0.5060 
1 1 1 6  33 4  o 16 7.17031e+01 2.69683e+01 4.87199e+01 206.321 -3.03846e+00 -1.50306e+00 0.00000e+00 0.00000e+00 8.52446e+01 206.321 3.65247e+01 206.321 0.8351 
1 1 1 6  33 5  o 8  6.12583e+01 2.74332e+01 1.92839e+01 337.683 1.02058e+00  -4.18931e-01 0.00000e+00 0.00000e+00 4.68892e+01 337.683 2.76052e+01 337.683 0.4818 
1 1 1 6  33 6  o 12 6.58427e+01 2.72227e+01 8.90839e+00 79.659  9.92361e-02  5.43851e-01  0.00000e+00 0.00000e+00 3.05256e+01 79.659  2.16172e+01 79.659  0.2664 
1 1 1 6  33 7  o 17 5.70784e+01 2.65023e+01 2.51979e+01 268.782 -2.98405e-02 -1.40403e+00 0.00000e+00 0.00000e+00 4.83986e+01 268.782 2.32008e+01 268.782 0.5716 
1 1 1 6  33 8  o 17 4.58172e+01 2.17084e+01 1.73680e+01 66.693  4.26644e-01  9.90345e-01  0.00000e+00 0.00000e+00 3.17523e+01 66.693  1.43842e+01 66.693  0.4735 
1 1 1 6  33 9  o 1  3.93609e+01 1.83798e+01 1.29100e+01 99.503  -1.52340e-01 9.10073e-01  0.00000e+00 0.00000e+00 2.45364e+01 99.503  1.16264e+01 99.503  0.4183 
1 1 1 6  33 10 o 6  6.66954e+01 2.44335e+01 2.99484e+01 157.026 -2.14794e+00 9.10576e-01  0.00000e+00 0.00000e+00 8.36729e+01 157.026 5.37245e+01 157.026 0.7455 
1 1 1 6  33 11 o 4  5.00114e+01 2.15058e+01 1.98896e+01 136.021 -1.08187e+00 1.04398e+00  0.00000e+00 0.00000e+00 4.86943e+01 136.021 2.88047e+01 136.021 0.5970 
1 1 1 6  33 12 o 2  3.35854e+01 1.63829e+01 4.77764e+01 295.755 1.57083e+00  -3.25597e+00 0.00000e+00 0.00000e+00 1.79427e+01 295.755 2.98337e+01 115.755 0.8469 
1 1 1 6  33 13 o 5  5.28405e+01 2.25463e+01 4.03171e+01 17.714  2.83335e+00  9.05023e-01  0.00000e+00 0.00000e+00 5.89640e+01 17.714  1.86470e+01 17.714  0.8081 
1 1 1 6  33 14 o 5  4.85722e+01 2.13243e+01 2.00123e+01 77.086  3.44812e-01  1.50381e+00  0.00000e+00 0.00000e+00 4.89571e+01 77.086  2.89447e+01 77.086  0.6065 
1 1 1 6  33 15 o 2  3.26625e+01 1.59578e+01 2.93770e+01 218.537 -1.88565e+00 -1.50192e+00 0.00000e+00 0.00000e+00 2.87709e+01 218.537 6.06182e-01 38.537  0.7549 
1 1 1 6  34 0  o 12 2.80943e+01 2.02835e+01 3.07166e+01 0.000   1.07544e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.06314e+01 0.000   1.00852e+01 180.000 0.7915 
1 1 1 6  34 1  o 8  4.61515e+01 2.11840e+01 3.00244e+01 208.121 -1.79187e+00 -9.57629e-01 0.00000e+00 0.00000e+00 4.49048e+01 208.121 1.48805e+01 208.121 0.7029 
1 1 1 6  34 2  f 0  5.95055e+01 2.44030e+01 3.02264e+01 184.745 -2.10344e+00 -1.74616e-01 0.00000e+00 0.00000e+00 6.81382e+01 184.745 3.79119e+01 184.745 0.7151 
1 1 1 6  34 3  o 5  5.04523e+01 2.23429e+01 2.32872e+01 337.351 1.46163e+00  -6.09898e-01 0.00000e+00 0.00000e+00 4.86613e+01 337.351 2.53741e+01 337.351 0.6162 
1 1 1 6  34 4  o 5  5.68849e+01 2.44918e+01 2.49467e+01 313.570 1.13751e+00  -1.19574e+00 0.00000e+00 0.00000e+00 5.82965e+01 313.570 3.33498e+01 313.570 0.6312 
1 1 1 6  34 5  o 3  4.68295e+01 2.26503e+01 4.00510e+01 119.215 -1.19278e+00 2.13294e+00  0.00000e+00 0.00000e+00 4.25160e+01 119.215 2.46500e+00 119.215 0.7587 
1 1 1 6  34 6  o 9  3.97366e+01 1.95028e+01 1.60286e+01 169.608 -1.01850e+00 1.86780e-01  0.00000e+00 0.00000e+00 2.64562e+01 169.608 1.04276e+01 169.608 0.4588 
1 1 1 6  34 7  f 0  6.20632e+01 2.87579e+01 1.51010e+01 296.530 3.82224e-01  -7.65629e-01 0.00000e+00 0.00000e+00 4.19141e+01 296.530 2.68131e+01 296.530 0.3929 
1 1 1 6  34 8  o 4  5.67850e+01 2.52212e+01 3.43523e+01 157.566 -2.05381e+00 8.47962e-01  0.00000e+00 0.00000e+00 6.30678e+01 157.566 2.87154e+01 157.566 0.7311 
1 1 1 6  34 9  o 2  5.56807e+01 2.28086e+01 3.03030e+01 47.467  1.54990e+00  1.68945e+00  0.00000e+00 0.00000e+00 6.68638e+01 47.467  3.65608e+01 47.467  0.7404 
1 1 1 6  34 10 o 3  4.61658e+01 2.08231e+01 2.33730e+01 355.209 1.71660e+00  -1.43879e-01 0.00000e+00 0.00000e+00 4.73117e+01 355.209 2.39387e+01 355.209 0.6465 
1 1 1 6  34 11 o 5  5.22432e+01 2.22154e+01 2.21015e+01 218.696 -1.31804e+00 -1.05580e+00 0.00000e+00 0.00000e+00 5.74310e+01 218.696 3.53295e+01 218.696 0.6395 
1 1 1 6  34 12 o 14 3.07877e+01 1.52712e+01 1.80535e+01 300.520 7.52078e-01  -1.27577e+00 0.00000e+00 0.00000e+00 2.55453e+01 300.520 7.49176e+00 300.520 0.5914 
1 1 1 6  35 0  f 0  4.26445e+01 2.86554e+01 1.43725e+01 180.000 -5.00248e-01 -0.00000e+00 0.00000e+00 0.00000e+00 3.28587e+01 180.000 1.84862e+01 180.000 0.4623 
1 1 1 6  35 1  o 13 4.30431e+01 2.02893e+01 1.31508e+01 175.000 -9.18299e-01 8.03333e-02  0.00000e+00 0.00000e+00 2.99632e+01 175.000 1.68125e+01 175.000 0.4180 
1 1 1 6  35 2  o 1  3.63341e+01 1.77453e+01 5.16845e+00 164.983 -3.63833e-01 9.76073e-02  0.00000e+00 0.00000e+00 1.09586e+01 164.983 5.79016e+00 164.983 0.1851 
1 1 1 6  35 3  o 12 4.58927e+01 2.11915e+01 2.06752e+01 232.783 -8.69216e-01 -1.14443e+00 0.00000e+00 0.00000e+00 4.32590e+01 232.783 2.25838e+01 232.783 0.5802 
1 1 1 6  35 4  o 13 4.15188e+01 1.97250e+01 3.24672e+01 46.226  1.58262e+00  1.65185e+00  0.00000e+00 0.00000e+00 4.14138e+01 46.226  8.94659e+00 46.226  0.7398 
1 1 1 6  35 5  o 8  5.09312e+01 2.44278e+01 1.22095e+01 6.333   7.44167e-01  8.25851e-02  0.00000e+00 0.00000e+00 3.08113e+01 6.333   1.86018e+01 6.333   0.3504 
1 1 1 6  35 6  o 15 5.63786e+01 2.73997e+01 1.30687e+01 272.727 3.44000e-02  -7.22226e-01 0.00000e+00 0.00000e+00 3.32432e+01 272.727 2.01745e+01 272.727 0.3398 
1 1 1 6  35 7  o 11 5.00515e+01 2.35494e+01 2.25420e+01 62.223  6.85197e-01  1.30084e+00  0.00000e+00 0.00000e+00 4.89250e+01 62.223  2.63829e+01 62.223  0.5887 
1 1 1 6  35 8  o 12 4.42821e+01 2.14691e+01 2.02476e+01 119.246 -6.68170e-01 1.19330e+00  0.00000e+00 0.00000e+00 4.03068e+01 119.246 2.00592e+01 119.246 0.5617 
1 1 1 7  0  2  o 8  1.55260e+02 2.05860e+01 5.24705e+02 180.000 -1.45436e+00 -0.00000e+00 0.00000e+00 0.00000e+00 3.56845e+02 0.000   8.81550e+02 0.000   0.8966 
1 1 1 7  0  3  f 0  2.00543e+02 1.40334e+01 1.59443e+02 90.000  -4.88248e-08 5.58491e-01  0.00000e+00 0.00000e+00 3.67125e+01 270.000 1.96156e+02 270.000 0.5069 
1 1 1 7  0  4  o 12 1.15400e+03 4.95082e+01 7.59964e+02 0.000   2.03595e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.35866e+02 0.000   1.24098e+02 180.000 1.0000 
1 1 1 7  0  5  o 10 5.30141e+02 1.93864e+01 4.18724e+02 90.000  -4.45707e-07 5.09829e+00  0.00000e+00 0.00000e+00 2.23921e+02 90.000  1.94804e+02 270.000 0.9999 
1 1 1 7  0  6  f 0  9.69575e+02 2.99727e+01 4.88759e+02 180.000 -1.23184e+01 -0.00000e+00 0.00000e+00 0.00000e+00 6.89929e+02 180.000 2.01169e+02 180.000 1.0000 
1 1 1 7  0  7  o 16 3.28945e+02 1.56444e+01 2.10974e+02 270.000 1.51295e-07  -1.73061e+00 0.00000e+00 0.00000e+00 1.65807e+02 270.000 4.51664e+01 90.000  0.9391 
1 1 1 7  0  8  o 11 4.59819e+01 2.02774e+01 4.89619e+01 0.000   6.44999e-02  0.00000e+00  0.00000e+00 0.00000e+00 4.53359e+01 180.000 9.42979e+01 180.000 0.0644 
1 1 1 7  0  9  f 0  4.05162e+02 1.70702e+01 2.29279e+02 270.000 2.58583e-07  -2.95785e+00 0.00000e+00 0.00000e+00 2.66207e+02 270.000 3.69278e+01 270.000 0.9946 
1 1 1 7  0  10 o 3  9.21849e+02 2.89348e+01 5.01706e+02 0.000   1.89166e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.37196e+02 0.000   1.35491e+02 0.000   1.0000 
1 1 1 7  0  11 o 14 7.48742e+02 2.47350e+01 3.75068e+02 90.000  -1.02123e-06 1.16815e+01  0.00000e+00 0.00000e+00 5.54879e+02 90.000  1.79811e+02 90.000  1.0000 
1 1 1 7  0  12 o 17 1.84883e+02 1.56303e+01 2.22473e+02 180.000 -1.68087e+00 -0.00000e+00 0.00000e+00 0.00000e+00 6.98945e+00 0.000   2.29462e+02 0.000   0.9330 
1 1 1 7  0  13 o 14 1.85139e+02 1.60651e+01 7.06037e+01 270.000 5.91161e-08  -6.76210e-01 0.00000e+00 0.00000e+00 6.64946e+01 270.000 4.10908e+00 90.000  0.5890 
1 1 1 7  0  14 o 4  1.93489e+02 1.66295e+01 9.06482e+01 0.000   1.03586e+00  0.00000e+00  0.00000e+00 0.00000e+00 9.94578e+01 0.000   8.80956e+00 0.000   0.7762 
1 1 1 7  0  15 o 5  4.65908e+02 1.92089e+01 2.73633e+01 270.000 7.47231e-08  -8.54733e-01 0.00000e+00 0.00000e+00 3.84624e+02 270.000 3.57261e+02 270.000 0.6935 
1 1 1 7  0  16 o 14 2.76698e+02 1.80012e+01 8.75946e+01 180.000 -1.44661e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.30642e+02 180.000 1.43047e+02 180.000 0.8950 
1 1 1 7  0  17 o 4  1.20937e+02 2.79576e+01 7.16038e+01 90.000  -6.78032e-08 7.75579e-01  0.00000e+00 0.00000e+00 3.02805e+01 90.000  4.13233e+01 270.000 0.6502 
1 1 1 7  0  18 o 1  7.56503e+01 4.44163e+01 1.29931e+01 0.000   7.62842e-02  0.00000e+00  0.00000e+00 0.00000e+00 5.46370e+00 180.000 1.84568e+01 180.000 0.0761 
1 1 1 7  0  19 o 4  2.24702e+02 4.06362e+01 1.53339e+02 90.000  -2.56731e-07 2.93666e+00  0.00000e+00 0.00000e+00 1.41493e+02 90.000  1.18454e+01 270.000 0.9944 
1 1 1 7  0  20 o 5  3.52287e+01 2.44339e+01 5.35229e+01 180.000 -2.05793e-01 -0.00000e+00 0.00000e+00 0.00000e+00 4.39963e+01 0.000   9.75191e+01 0.000   0.2029 
1 1 1 7  0  21 o 13 2.35816e+02 3.17144e+01 1.11278e+02 90.000  -2.18510e-07 2.49947e+00  0.00000e+00 0.00000e+00 2.01969e+02 90.000  9.06909e+01 90.000  0.9866 
1 1 1 7  0  23 o 2  5.04848e+01 3.29742e+01 2.57466e+01 270.000 1.01728e-08  -1.16364e-01 0.00000e+00 0.00000e+00 1.76959e+01 90.000  4.34424e+01 90.000  0.1158 
1 1 1 7  0  24 o 6  2.00731e+02 3.20018e+01 1.26590e+02 180.000 -2.34872e+00 -0.00000e+00 0.00000e+00 0.00000e+00 1.47979e+02 180.000 2.13894e+01 180.000 0.9819 
1 1 1 7  0  25 o 8  4.88158e+01 3.28337e+01 2.60573e+01 270.000 1.51985e-08  -1.73851e-01 0.00000e+00 0.00000e+00 1.42074e+01 90.000  4.02647e+01 90.000  0.1721 
1 1 1 7  0  27 o 3  6.99071e+01 4.12074e+01 6.92926e+01 270.000 7.83616e-08  -8.96352e-01 0.00000e+00 0.00000e+00 3.02559e+00 270.000 6.62670e+01 90.000  0.7145 
1 1 1 7  0  28 o 5  1.45656e+02 4.40203e+01 9.30409e+01 180.000 -2.43166e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.17510e+02 180.000 2.44688e+01 180.000 0.9847 
1 1 1 7  0  29 o 1  3.84465e+01 2.70932e+01 2.90215e+01 270.000 -2.01590e-17 -3.29221e-01 0.00000e+00 0.00000e+00 1.08237e+01 90.000  3.98452e+01 90.000  0.3178 
1 1 1 7  0  30 o 3  1.90335e+02 6.11555e+01 1.49524e+02 0.000   4.93393e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.38159e+02 0.000   1.13655e+01 180.000 0.9999 
1 1 1 7  0  31 o 1  5.36110e+01 3.80438e+01 3.22534e+01 90.000  -4.89772e-08 5.60233e-01  0.00000e+00 0.00000e+00 9.56505e+00 90.000  2.26883e+01 270.000 0.5082 
1 1 1 7  0  32 o 4  5.06574e+01 3.33044e+01 1.68963e+01 180.000 -3.73518e-01 -0.00000e+00 0.00000e+00 0.00000e+00 1.13142e+01 180.000 5.58214e+00 0.000   0.3571 
1 1 1 7  0  33 o 11 9.04575e+01 4.64651e+01 8.23496e+01 90.000  -2.35218e-07 2.69058e+00  0.00000e+00 0.00000e+00 5.97481e+01 90.000  2.26015e+01 270.000 0.9908 
1 1 1 7  0  34 o 8  5.29120e+01 3.56614e+01 4.47910e+01 180.000 -1.22684e+00 -0.00000e+00 0.00000e+00 0.00000e+00 2.70164e+01 180.000 1.77747e+01 0.000   0.8417 
1 1 1 7  0  35 o 12 5.14809e+01 3.47352e+01 2.89258e+01 270.000 8.09577e-08  -9.26048e-01 0.00000e+00 0.00000e+00 3.26284e+01 270.000 3.70256e+00 270.000 0.7287 
1 1 1 7  0  36 o 16 4.91609e+01 3.39180e+01 1.41405e+01 0.000   4.90752e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.32072e+01 0.000   9.06674e+00 0.000   0.4548 
1 1 1 7  0  37 o 19 4.55806e+01 3.21313e+01 2.17702e+01 270.000 7.11338e-08  -8.13676e-01 0.00000e+00 0.00000e+00 3.03139e+01 270.000 8.54374e+00 270.000 0.6716 
1 1 1 7  1  2  o 13 5.91560e+02 2.06866e+01 3.75378e+02 188.573 -7.76177e+00 -1.17007e+00 0.00000e+00 0.00000e+00 2.91218e+02 188.573 8.41601e+01 8.573   0.9339 
1 1 1 7  1  3  o 19 4.24497e+02 1.40023e+01 3.38723e+02 279.531 8.25609e-01  -4.91747e+00 0.00000e+00 0.00000e+00 1.19260e+02 279.531 2.19463e+02 99.531  0.8931 
1 1 1 7  1  4  o 5  3.11971e+02 1.07319e+01 3.50486e+02 27.573  4.62159e+00  2.41335e+00  0.00000e+00 0.00000e+00 1.14041e+01 207.573 3.61890e+02 207.573 0.8981 
1 1 1 7  1  5  o 12 6.67202e+02 1.58385e+01 4.21779e+02 108.879 -4.15532e+00 1.21515e+01  0.00000e+00 0.00000e+00 3.55330e+02 108.879 6.64493e+01 288.879 0.9602 
1 1 1 7  1  6  o 12 4.36292e+02 1.23116e+01 3.11931e+02 142.624 -5.65043e+00 4.31638e+00  0.00000e+00 0.00000e+00 1.79867e+02 142.624 1.32064e+02 322.624 0.9267 
1 1 1 7  1  7  o 19 4.68932e+02 1.47824e+01 2.28989e+02 297.545 2.45910e+00  -4.71478e+00 0.00000e+00 0.00000e+00 2.86181e+02 297.545 5.71924e+01 297.545 0.9003 
1 1 1 7  1  8  o 12 6.34075e+02 1.53250e+01 4.77715e+02 344.666 1.66562e+01  -4.56740e+00 0.00000e+00 0.00000e+00 2.76158e+02 344.666 2.01557e+02 164.666 0.9706 
1 1 1 7  1  9  o 15 1.54577e+02 1.00222e+01 2.88483e+02 68.452  1.04108e+00  2.63643e+00  0.00000e+00 0.00000e+00 1.36931e+02 248.452 4.25414e+02 248.452 0.7970 
1 1 1 7  1  10 o 2  4.87373e+02 1.31872e+01 3.08034e+02 89.816  3.97709e-02  1.23935e+01  0.00000e+00 0.00000e+00 2.69573e+02 89.816  3.84601e+01 269.816 0.9588 
1 1 1 7  1  11 f 0  5.83889e+02 1.47162e+01 5.93743e+02 302.270 1.54237e+01  -2.44259e+01 0.00000e+00 0.00000e+00 1.19171e+02 302.270 4.74572e+02 122.270 0.9825 
1 1 1 7  1  12 o 9  9.04391e+02 2.02614e+01 5.35042e+02 188.807 -3.84106e+01 -5.95101e+00 0.00000e+00 0.00000e+00 5.80723e+02 188.807 4.56807e+01 188.807 0.9871 
1 1 1 7  1  13 o 8  6.07706e+02 1.52451e+01 3.57002e+02 145.443 -1.83169e+01 1.26157e+01  0.00000e+00 0.00000e+00 3.89990e+02 145.443 3.29886e+01 145.443 0.9773 
1 1 1 7  1  14 o 17 3.77604e+02 1.22816e+01 2.02432e+02 2.106   8.99389e+00  3.30752e-01  0.00000e+00 0.00000e+00 2.48361e+02 2.106   4.59286e+01 2.106   0.9427 
1 1 1 7  1  15 o 12 4.28191e+02 1.31180e+01 1.40174e+02 134.278 -5.61318e+00 5.75643e+00  0.00000e+00 0.00000e+00 3.70875e+02 134.278 2.30701e+02 134.278 0.9356 
1 1 1 7  1  16 o 18 2.80312e+02 1.24401e+01 1.78714e+02 64.648  2.55717e+00  5.39696e+00  0.00000e+00 0.00000e+00 1.49943e+02 64.648  2.87710e+01 244.648 0.9119 
1 1 1 7  1  17 o 14 1.27076e+02 1.98424e+01 9.51300e+01 238.944 -1.11486e+00 -1.85133e+00 0.00000e+00 0.00000e+00 2.39055e+01 238.944 7.12244e+01 58.944  0.7225 
1 1 1 7  1  18 o 13 5.30423e+01 2.31837e+01 8.38645e+01 235.026 -4.14045e-01 -5.91890e-01 0.00000e+00 0.00000e+00 6.03117e+01 55.026  1.44176e+02 55.026  0.3395 
1 1 1 7  1  19 o 18 8.41112e+01 2.48064e+01 5.02849e+01 304.945 4.22396e-01  -6.04487e-01 0.00000e+00 0.00000e+00 1.18930e+01 124.945 6.21779e+01 124.945 0.3457 
1 1 1 7  1  20 o 17 2.16210e+02 3.97897e+01 1.57834e+02 353.265 6.22604e+00  -7.35212e-01 0.00000e+00 0.00000e+00 1.06316e+02 353.265 5.15180e+01 173.265 0.9164 
1 1 1 7  1  21 o 15 3.11913e+02 1.99768e+01 1.91804e+02 33.787  9.58920e+00  6.41631e+00  0.00000e+00 0.00000e+00 2.09734e+02 33.787  1.79306e+01 33.787  0.9556 
1 1 1 7  1  22 o 1  2.18482e+02 3.74175e+01 1.42479e+02 145.711 -3.85594e+00 2.62929e+00  0.00000e+00 0.00000e+00 1.20848e+02 145.711 2.16311e+01 325.711 0.8850 
1 1 1 7  1  23 o 11 2.89351e+02 1.75163e+01 1.85595e+02 214.086 -8.19527e+00 -5.54560e+00 0.00000e+00 0.00000e+00 1.92233e+02 214.086 6.63810e+00 214.086 0.9480 
1 1 1 7  1  24 o 2  2.84651e+02 3.53964e+01 1.33976e+02 353.938 6.39507e+00  -6.79156e-01 0.00000e+00 0.00000e+00 2.30456e+02 353.938 9.64806e+01 353.938 0.9186 
1 1 1 7  1  25 o 6  2.11399e+02 2.20744e+01 1.17483e+02 92.353  -2.81279e-01 6.84653e+00  0.00000e+00 0.00000e+00 1.58103e+02 92.353  4.06202e+01 92.353  0.9238 
1 1 1 7  1  26 o 4  1.25666e+02 3.16312e+01 5.15965e+01 283.209 3.84067e-01  -1.63629e+00 0.00000e+00 0.00000e+00 6.29571e+01 283.209 1.13606e+01 283.209 0.6377 
1 1 1 7  1  27 o 14 5.28607e+01 2.47123e+01 6.63829e+01 331.560 1.21911e+00  -6.60262e-01 0.00000e+00 0.00000e+00 2.29828e+01 151.560 8.93658e+01 151.560 0.5668 
1 1 1 7  1  28 o 18 1.93085e+02 2.26042e+01 1.18008e+02 156.250 -8.50678e+00 3.74312e+00  0.00000e+00 0.00000e+00 1.49877e+02 156.250 3.18686e+01 156.250 0.9446 
1 1 1 7  1  29 o 13 6.71743e+01 2.80591e+01 4.10540e+01 87.418  6.18602e-02  1.37168e+00  0.00000e+00 0.00000e+00 1.53150e+01 87.418  2.57389e+01 267.418 0.5632 
1 1 1 7  1  30 o 8  1.21655e+02 2.70373e+01 1.48323e+01 291.945 3.33166e-01  -8.26889e-01 0.00000e+00 0.00000e+00 5.99837e+01 291.945 4.51513e+01 291.945 0.4066 
1 1 1 7  1  31 o 18 1.15455e+02 4.30231e+01 5.18123e+01 240.903 -1.20725e+00 -2.16931e+00 0.00000e+00 0.00000e+00 8.35017e+01 240.903 3.16894e+01 240.903 0.7631 
1 1 1 7  1  32 o 15 6.35658e+01 2.70866e+01 4.06821e+01 356.952 2.00816e+00  -1.06921e-01 0.00000e+00 0.00000e+00 2.87100e+01 356.952 1.19720e+01 176.952 0.6996 
1 1 1 7  1  33 o 7  4.53578e+01 2.20414e+01 2.14274e+01 150.184 -9.22577e-01 5.28712e-01  0.00000e+00 0.00000e+00 1.22722e+01 150.184 9.15515e+00 330.184 0.4684 
1 1 1 7  1  34 o 7  6.79592e+01 2.94682e+01 1.23374e+01 29.426  6.32935e-01  3.57021e-01  0.00000e+00 0.00000e+00 2.50811e+01 29.426  1.27436e+01 29.426  0.3413 
1 1 1 7  1  35 o 3  6.88637e+01 2.96943e+01 1.44416e+01 320.614 7.44153e-01  -6.10944e-01 0.00000e+00 0.00000e+00 3.45141e+01 320.614 2.00725e+01 320.614 0.4331 
1 1 1 7  1  36 o 8  4.51842e+01 2.23874e+01 1.64396e+01 59.664  5.80142e-01  9.91372e-01  0.00000e+00 0.00000e+00 2.10596e+01 59.664  4.61994e+00 59.664  0.4966 
1 1 1 7  1  37 o 2  4.57472e+01 2.25919e+01 1.71880e+01 80.094  2.23557e-01  1.28018e+00  0.00000e+00 0.00000e+00 2.50626e+01 80.094  7.87466e+00 80.094  0.5425 
1 1 1 7  2  1  o 13 3.38519e+02 2.22626e+01 3.33747e+02 148.239 -3.38566e+00 2.09599e+00  0.00000e+00 0.00000e+00 1.89616e+01 148.239 3.14786e+02 328.239 0.8628 
1 1 1 7  2  2  o 3  1.30878e+02 1.35531e+01 1.40388e+02 152.976 -5.72359e-01 2.91934e-01  0.00000e+00 0.00000e+00 9.20308e+01 332.976 2.32419e+02 332.976 0.3057 
1 1 1 7  2  3  o 5  1.19463e+03 2.94288e+01 7.93876e+02 25.458  2.88381e+01  1.37289e+01  0.00000e+00 0.00000e+00 6.28819e+02 25.458  1.65057e+02 205.458 0.9842 
1 1 1 7  2  4  o 14 3.63730e+02 1.31018e+01 1.98668e+02 24.535  3.08319e+00  1.40734e+00  0.00000e+00 0.00000e+00 1.69521e+02 24.535  2.91465e+01 204.535 0.8351 
1 1 1 7  2  5  o 16 1.16755e+03 2.47595e+01 8.00446e+02 257.362 -9.10994e+00 -4.06290e+01 0.00000e+00 0.00000e+00 6.00864e+02 257.362 1.99582e+02 77.362  0.9879 
1 1 1 7  2  6  o 19 9.00122e+02 1.98716e+01 5.60136e+02 268.414 -7.13857e-01 -2.57873e+01 0.00000e+00 0.00000e+00 5.14986e+02 268.414 4.51500e+01 88.414  0.9804 
1 1 1 7  2  7  o 14 7.75872e+02 1.78123e+01 3.75229e+02 115.370 -7.40268e+00 1.56111e+01  0.00000e+00 0.00000e+00 5.45229e+02 115.370 1.70000e+02 115.370 0.9706 
1 1 1 7  2  8  o 13 3.12545e+02 1.08627e+01 3.16810e+02 67.024  2.18741e+00  5.15912e+00  0.00000e+00 0.00000e+00 3.05015e+01 67.024  2.86308e+02 247.024 0.9057 
1 1 1 7  2  9  o 3  7.28084e+02 1.69665e+01 4.95611e+02 352.257 2.23236e+01  -3.03521e+00 0.00000e+00 0.00000e+00 3.81372e+02 352.257 1.14238e+02 172.257 0.9775 
1 1 1 7  2  10 f 0  6.35236e+02 1.79051e+01 2.28301e+02 74.893  3.06710e+00  1.13618e+01  0.00000e+00 0.00000e+00 5.23984e+02 74.893  2.95682e+02 74.893  0.9565 
1 1 1 7  2  11 o 8  4.43001e+02 1.26680e+01 2.66556e+02 166.568 -9.51270e+00 2.27185e+00  0.00000e+00 0.00000e+00 2.55834e+02 166.568 1.07223e+01 346.568 0.9474 
1 1 1 7  2  12 o 6  5.80414e+02 1.47382e+01 2.92145e+02 247.672 -5.18277e+00 -1.26191e+01 0.00000e+00 0.00000e+00 4.07318e+02 247.672 1.15173e+02 247.672 0.9626 
1 1 1 7  2  13 o 16 3.11787e+02 1.14374e+01 2.30212e+02 46.439  4.77216e+00  5.01814e+00  0.00000e+00 0.00000e+00 1.33001e+02 46.439  9.72110e+01 226.439 0.9247 
1 1 1 7  2  14 o 8  1.86247e+02 1.15216e+01 1.50876e+02 125.111 -1.89273e+00 2.69193e+00  0.00000e+00 0.00000e+00 4.50562e+01 125.111 1.05820e+02 305.111 0.8294 
1 1 1 7  2  15 o 7  1.42889e+02 1.33861e+01 8.01536e+01 221.253 -1.30100e+00 -1.14108e+00 0.00000e+00 0.00000e+00 3.81866e+01 221.253 4.19670e+01 41.253  0.6482 
1 1 1 7  2  16 o 13 3.82917e+02 1.29447e+01 8.15348e+01 38.466  2.89521e+00  2.30018e+00  0.00000e+00 0.00000e+00 3.38002e+02 38.466  2.56467e+02 38.466  0.8508 
1 1 1 7  2  17 o 5  1.46961e+02 1.83687e+01 6.00943e+01 6.313   1.57174e+00  1.73880e-01  0.00000e+00 0.00000e+00 5.73834e+01 6.313   2.71087e+00 186.313 0.6156 
1 1 1 7  2  18 o 5  1.00512e+02 2.75292e+01 4.41124e+01 65.655  3.19957e-01  7.07137e-01  0.00000e+00 0.00000e+00 3.49000e+00 65.655  4.06224e+01 245.655 0.3615 
1 1 1 7  2  20 o 11 6.63526e+01 2.58980e+01 6.20767e+01 4.834   8.04842e-01  6.80654e-02  0.00000e+00 0.00000e+00 2.89251e+01 184.834 9.10018e+01 184.834 0.3741 
1 1 1 7  2  22 f 0  7.72793e+01 2.94368e+01 1.02841e+02 229.775 -8.11425e-01 -9.59331e-01 0.00000e+00 0.00000e+00 4.69827e+01 49.775  1.49824e+02 49.775  0.5299 
1 1 1 7  2  23 o 8  1.48609e+02 2.52533e+01 7.81198e+01 207.151 -1.82185e+00 -9.34342e-01 0.00000e+00 0.00000e+00 6.64999e+01 207.151 1.16199e+01 27.151  0.7054 
1 1 1 7  2  24 o 18 3.16064e+02 3.32031e+01 1.14050e+02 350.489 7.21485e+00  -1.20873e+00 0.00000e+00 0.00000e+00 2.95800e+02 350.489 1.81750e+02 350.489 0.9289 
1 1 1 7  2  25 o 8  2.83013e+02 5.41932e+01 1.51124e+02 241.727 -3.77731e+00 -7.02327e+00 0.00000e+00 0.00000e+00 2.22882e+02 241.727 7.17579e+01 241.727 0.9350 
1 1 1 7  2  26 o 8  1.72542e+02 2.60062e+01 9.91932e+01 201.007 -4.97440e+00 -1.91019e+00 0.00000e+00 0.00000e+00 1.23243e+02 201.007 2.40498e+01 201.007 0.9005 
1 1 1 7  2  27 o 12 1.41306e+02 2.82119e+01 7.13164e+01 67.752  1.42918e+00  3.49380e+00  0.00000e+00 0.00000e+00 1.03828e+02 67.752  3.25113e+01 67.752  0.8543 
1 1 1 7  2  28 o 14 9.90447e+01 3.14773e+01 7.82755e+01 76.645  6.37637e-01  2.68593e+00  0.00000e+00 0.00000e+00 3.69242e+01 76.645  4.13513e+01 256.645 0.7906 
1 1 1 7  2  29 o 18 1.71477e+02 3.85853e+01 1.30252e+02 13.428  8.57065e+00  2.04631e+00  0.00000e+00 0.00000e+00 1.10680e+02 13.428  1.95718e+01 193.428 0.9414 
1 1 1 7  2  30 o 15 6.29902e+01 2.80575e+01 3.88215e+01 258.536 -2.34878e-01 -1.15823e+00 0.00000e+00 0.00000e+00 9.56709e+00 258.536 2.92544e+01 78.536  0.5071 
1 1 1 7  2  31 o 14 8.65348e+01 2.89618e+01 9.73762e+01 177.652 -5.15190e+00 2.11222e-01  0.00000e+00 0.00000e+00 2.20158e+01 177.652 7.53604e+01 357.652 0.8969 
1 1 1 7  2  32 o 13 1.14468e+02 3.57565e+01 3.96198e+01 109.880 -9.00180e-01 2.48946e+00  0.00000e+00 0.00000e+00 9.99475e+01 109.880 6.03277e+01 109.880 0.7801 
1 1 1 7  2  33 o 3  4.98000e+01 2.35897e+01 2.65780e+01 226.530 -9.37697e-01 -9.89152e-01 0.00000e+00 0.00000e+00 1.77610e+01 226.530 8.81691e+00 46.530  0.5604 
1 1 1 7  2  34 o 10 6.27716e+01 2.76902e+01 2.29131e+01 258.428 -2.68888e-01 -1.31313e+00 0.00000e+00 0.00000e+00 3.32922e+01 258.428 1.03792e+01 258.428 0.5541 
1 1 1 7  2  35 o 4  8.84121e+01 3.32376e+01 3.92867e+01 344.085 2.74353e+00  -7.82283e-01 0.00000e+00 0.00000e+00 7.67896e+01 344.085 3.75029e+01 344.085 0.7985 
1 1 1 7  2  36 o 18 7.65649e+01 3.18855e+01 4.45326e+00 222.613 -2.32587e-01 -2.13972e-01 0.00000e+00 0.00000e+00 1.55505e+01 222.613 1.10972e+01 222.613 0.1561 
1 1 1 7  2  37 o 13 4.97466e+01 2.43927e+01 1.30853e+01 65.090  4.04436e-01  8.70904e-01  0.00000e+00 0.00000e+00 2.35669e+01 65.090  1.04815e+01 65.090  0.4321 
1 1 1 7  3  1  o 19 1.00265e+03 4.38857e+01 8.60021e+02 289.699 9.69056e+00  -2.70662e+01 0.00000e+00 0.00000e+00 3.32672e+02 289.699 5.27349e+02 109.699 0.9825 
1 1 1 7  3  2  o 5  5.74659e+02 2.03385e+01 3.98212e+02 78.437  2.20040e+00  1.07549e+01  0.00000e+00 0.00000e+00 2.65590e+02 78.437  1.32623e+02 258.437 0.9533 
1 1 1 7  3  3  o 8  1.00434e+03 2.51854e+01 7.07422e+02 170.570 -3.26635e+01 5.42502e+00  0.00000e+00 0.00000e+00 4.92533e+02 170.570 2.14888e+02 350.570 0.9848 
1 1 1 7  3  4  o 6  6.65794e+02 1.82505e+01 3.78538e+02 115.929 -5.02251e+00 1.03302e+01  0.00000e+00 0.00000e+00 3.94583e+02 115.929 1.60449e+01 115.929 0.9554 
1 1 1 7  3  5  o 19 1.11813e+03 2.38859e+01 7.35972e+02 31.161  3.66405e+01  2.21563e+01  0.00000e+00 0.00000e+00 6.10065e+02 31.161  1.25907e+02 211.161 0.9883 
1 1 1 7  3  6  o 14 1.01038e+03 2.18769e+01 5.98401e+02 286.869 8.76365e+00  -2.89000e+01 0.00000e+00 0.00000e+00 6.15190e+02 286.869 1.67890e+01 286.869 0.9833 
1 1 1 7  3  7  o 4  1.00308e+03 2.52166e+01 3.29676e+02 277.143 2.36466e+00  -1.88704e+01 0.00000e+00 0.00000e+00 8.66867e+02 277.143 5.37191e+02 277.143 0.9733 
1 1 1 7  3  8  o 16 6.58105e+02 1.57373e+01 4.56935e+02 92.382  -8.12318e-01 1.95308e+01  0.00000e+00 0.00000e+00 3.31663e+02 92.382  1.25272e+02 272.382 0.9741 
1 1 1 7  3  9  o 18 3.24372e+02 1.10469e+01 6.84076e+01 24.663  1.24510e+00  5.71721e-01  0.00000e+00 0.00000e+00 1.56950e+02 24.663  8.85423e+01 24.663  0.5623 
1 1 1 7  3  10 o 14 5.88886e+02 1.47478e+01 4.49851e+02 298.499 1.01470e+01  -1.86896e+01 0.00000e+00 0.00000e+00 2.63790e+02 298.499 1.86061e+02 118.499 0.9762 
1 1 1 7  3  11 o 2  2.21268e+02 1.04711e+01 2.54055e+02 131.145 -3.13546e+00 3.58858e+00  0.00000e+00 0.00000e+00 8.94174e+00 311.145 2.62996e+02 311.145 0.8876 
1 1 1 7  3  12 o 2  8.90617e+02 2.00061e+01 5.94763e+02 117.340 -2.56761e+01 4.96615e+01  0.00000e+00 0.00000e+00 5.13137e+02 117.340 8.16260e+01 297.340 0.9910 
1 1 1 7  3  13 o 9  2.39235e+02 1.29095e+01 1.48514e+02 345.468 3.27076e+00  -8.47804e-01 0.00000e+00 0.00000e+00 1.03675e+02 345.468 4.48387e+01 165.468 0.8345 
1 1 1 7  3  14 o 15 2.22905e+02 1.14947e+01 2.04320e+02 214.822 -4.33041e+00 -3.01223e+00 0.00000e+00 0.00000e+00 5.06520e+01 214.822 1.53668e+02 34.822  0.8994 
1 1 1 7  3  15 o 11 3.19552e+02 1.22274e+01 1.02953e+02 94.054  -3.48953e-01 4.92298e+00  0.00000e+00 0.00000e+00 2.62170e+02 94.054  1.59217e+02 94.054  0.8919 
1 1 1 7  3  16 o 13 1.01593e+02 2.13579e+01 1.17938e+02 258.304 -2.78962e-01 -1.34748e+00 0.00000e+00 0.00000e+00 4.39589e+01 78.304  1.61897e+02 78.304  0.5640 
1 1 1 7  3  17 o 16 3.81869e+02 1.56106e+01 2.62545e+02 252.370 -5.45201e+00 -1.71555e+01 0.00000e+00 0.00000e+00 2.20632e+02 252.370 4.19128e+01 72.370  0.9718 
1 1 1 7  3  19 o 1  1.46680e+02 2.38529e+01 1.38843e+02 66.208  1.51731e+00  3.44143e+00  0.00000e+00 0.00000e+00 2.71738e+01 66.208  1.11670e+02 246.208 0.8537 
1 1 1 7  3  20 o 5  9.65190e+01 2.69127e+01 1.19762e+02 158.966 -2.08866e+00 8.03195e-01  0.00000e+00 0.00000e+00 2.50074e+01 338.966 1.44770e+02 338.966 0.7332 
1 1 1 7  3  21 o 11 9.78121e+01 2.75471e+01 4.74944e+01 243.516 -4.06064e-01 -8.15019e-01 0.00000e+00 0.00000e+00 7.26351e+00 243.516 4.02309e+01 63.516  0.4138 
1 1 1 7  3  22 o 16 9.64316e+01 3.01004e+01 7.34560e+01 297.457 5.11689e-01  -9.84748e-01 0.00000e+00 0.00000e+00 9.63446e+00 117.457 8.30905e+01 117.457 0.4839 
1 1 1 7  3  23 o 13 9.75585e+01 2.96578e+01 3.85222e+01 104.266 -1.57978e-01 6.21298e-01  0.00000e+00 0.00000e+00 2.65263e+00 104.266 3.58696e+01 284.266 0.3051 
1 1 1 7  3  24 o 6  2.33546e+02 1.98512e+01 1.02169e+02 111.461 -1.96142e+00 4.98943e+00  0.00000e+00 0.00000e+00 1.92411e+02 111.461 9.02420e+01 111.461 0.9011 
1 1 1 7  3  25 o 10 1.90571e+02 4.65266e+01 1.29973e+02 257.893 -1.07476e+00 -5.01038e+00 0.00000e+00 0.00000e+00 1.12055e+02 257.893 1.79177e+01 77.893  0.8962 
1 1 1 7  3  26 o 5  2.33403e+02 2.71854e+01 1.47218e+02 8.401   1.04047e+01  1.53661e+00  0.00000e+00 0.00000e+00 1.71475e+02 8.401   2.42574e+01 8.401   0.9512 
1 1 1 7  3  27 o 9  1.76807e+02 2.38281e+01 8.45482e+01 114.604 -2.66590e+00 5.82165e+00  0.00000e+00 0.00000e+00 1.51626e+02 114.604 6.70780e+01 114.604 0.9182 
1 1 1 7  3  28 o 4  1.73936e+02 2.38015e+01 5.86244e+01 281.648 8.22667e-01  -3.99070e+00 0.00000e+00 0.00000e+00 1.63652e+02 281.648 1.05028e+02 281.648 0.8663 
1 1 1 7  3  29 o 1  6.19873e+01 2.68740e+01 4.11641e+01 74.063  3.56154e-01  1.24724e+00  0.00000e+00 0.00000e+00 9.09677e+00 74.063  3.20673e+01 254.063 0.5418 
1 1 1 7  3  30 o 5  1.04905e+02 3.22199e+01 6.82365e+01 208.311 -2.78357e+00 -1.49946e+00 0.00000e+00 0.00000e+00 6.26234e+01 208.311 5.61310e+00 28.311  0.8213 
1 1 1 7  3  31 f 0  5.47062e+01 2.44299e+01 5.83420e+01 4.056   2.33500e+00  1.65592e-01  0.00000e+00 0.00000e+00 4.64985e+00 4.056   5.36921e+01 184.056 0.7465 
1 1 1 7  3  32 o 11 5.86870e+01 2.72277e+01 3.79332e+01 84.561  1.69690e-01  1.78207e+00  0.00000e+00 0.00000e+00 2.27781e+01 84.561  1.51551e+01 264.561 0.6601 
1 1 1 7  3  33 o 7  7.98264e+01 3.12309e+01 2.82072e+01 112.045 -6.46874e-01 1.59743e+00  0.00000e+00 0.00000e+00 5.40329e+01 112.045 2.58257e+01 112.045 0.6467 
1 1 1 7  3  34 o 8  6.52090e+01 2.83432e+01 1.59033e+01 128.886 -6.05804e-01 7.51146e-01  0.00000e+00 0.00000e+00 2.99330e+01 128.886 1.40297e+01 128.886 0.4338 
1 1 1 7  3  35 o 14 6.11484e+01 2.79918e+01 1.52100e+01 119.957 -4.86116e-01 8.43451e-01  0.00000e+00 0.00000e+00 2.88364e+01 119.957 1.36264e+01 119.957 0.4369 
1 1 1 7  3  36 o 10 5.69576e+01 2.68760e+01 1.05577e+01 39.891  5.47213e-01  4.57388e-01  0.00000e+00 0.00000e+00 2.15336e+01 39.891  1.09759e+01 39.891  0.3357 
1 1 1 7  3  37 o 16 4.99932e+01 2.45430e+01 4.66753e+01 239.981 -1.70271e+00 -2.94697e+00 0.00000e+00 0.00000e+00 2.47669e+01 239.981 2.19084e+01 59.981  0.8359 
1 1 1 7  4  0  o 12 3.15848e+02 2.19988e+01 2.33849e+02 90.000  1.07197e-16  1.75066e+00  0.00000e+00 0.00000e+00 1.27440e+02 90.000  1.06409e+02 270.000 0.9415 
1 1 1 7  4  1  o 5  2.85733e+02 2.10457e+01 1.87495e+02 351.745 2.48766e+00  -3.60920e-01 0.00000e+00 0.00000e+00 7.86688e+01 351.745 1.08827e+02 171.745 0.7665 
1 1 1 7  4  2  o 14 3.50138e+02 1.58650e+01 2.96366e+02 21.969  4.47976e+00  1.80713e+00  0.00000e+00 0.00000e+00 8.23413e+01 21.969  2.14025e+02 201.969 0.8893 
1 1 1 7  4  3  o 6  6.41678e+02 1.78234e+01 2.90394e+02 282.207 1.79131e+00  -8.27987e+00 0.00000e+00 0.00000e+00 4.43340e+02 282.207 1.52946e+02 282.207 0.9390 
1 1 1 7  4  4  o 19 1.13121e+03 2.78368e+01 8.76013e+02 218.750 -4.01709e+01 -3.22408e+01 0.00000e+00 0.00000e+00 4.90517e+02 218.750 3.85496e+02 38.750  0.9902 
1 1 1 7  4  5  o 15 4.16261e+02 1.39438e+01 2.20220e+02 105.605 -1.25904e+00 4.50778e+00  0.00000e+00 0.00000e+00 2.30413e+02 105.605 1.01929e+01 105.605 0.8854 
1 1 1 7  4  6  o 3  8.98509e+02 1.99222e+01 5.80226e+02 63.913  1.35625e+01  2.77005e+01  0.00000e+00 0.00000e+00 5.03417e+02 63.913  7.68089e+01 243.913 0.9837 
1 1 1 7  4  7  o 6  6.55769e+02 1.56997e+01 4.97162e+02 0.586   1.84969e+01  1.89311e-01  0.00000e+00 0.00000e+00 2.87393e+02 0.586   2.09769e+02 180.586 0.9726 
1 1 1 7  4  8  o 9  6.51728e+02 1.56971e+01 6.15273e+02 303.735 1.41122e+01  -2.11324e+01 0.00000e+00 0.00000e+00 1.73469e+02 303.735 4.41804e+02 123.735 0.9801 
1 1 1 7  4  9  o 19 5.05941e+02 1.34212e+01 3.87247e+02 221.355 -1.22450e+01 -1.07783e+01 0.00000e+00 0.00000e+00 2.20615e+02 221.355 1.66632e+02 41.355  0.9688 
1 1 1 7  4  10 o 19 3.72995e+02 1.34637e+01 3.04754e+02 123.977 -5.37856e+00 7.98108e+00  0.00000e+00 0.00000e+00 1.35160e+02 123.977 1.69593e+02 303.977 0.9465 
1 1 1 7  4  11 o 18 2.91344e+02 1.09647e+01 2.08617e+02 343.945 4.85059e+00  -1.39595e+00 0.00000e+00 0.00000e+00 1.17823e+02 343.945 9.07939e+01 163.945 0.8945 
1 1 1 7  4  12 o 2  6.92249e+02 1.65815e+01 4.09385e+02 28.433  2.60450e+01  1.41016e+01  0.00000e+00 0.00000e+00 4.47954e+02 28.433  3.85690e+01 28.433  0.9830 
1 1 1 7  4  13 o 15 2.67770e+02 1.11359e+01 3.00006e+02 113.250 -2.97324e+00 6.92023e+00  0.00000e+00 0.00000e+00 1.60867e+01 113.250 2.83919e+02 293.250 0.9310 
1 1 1 7  4  14 o 12 8.42789e+02 1.94382e+01 4.24294e+02 212.474 -4.07881e+01 -2.59587e+01 0.00000e+00 0.00000e+00 6.40401e+02 212.474 2.16106e+02 212.474 0.9896 
1 1 1 7  4  15 f 0  1.67174e+02 1.29391e+01 9.42341e+01 309.297 1.47377e+00  -1.80078e+00 0.00000e+00 0.00000e+00 6.58776e+01 309.297 2.83565e+01 129.297 0.7448 
1 1 1 7  4  16 o 17 2.78992e+02 1.48751e+01 5.70570e+01 338.842 2.19167e+00  -8.48260e-01 0.00000e+00 0.00000e+00 2.13284e+02 338.842 1.56227e+02 338.842 0.7477 
1 1 1 7  4  17 o 15 2.48152e+02 1.35225e+01 9.62390e+01 347.882 4.06429e+00  -8.72652e-01 0.00000e+00 0.00000e+00 1.85675e+02 347.882 8.94358e+01 347.882 0.8693 
1 1 1 7  4  19 o 18 2.02589e+02 4.27687e+01 9.75769e+01 145.349 -2.58016e+00 1.78331e+00  0.00000e+00 0.00000e+00 1.23390e+02 145.349 2.58134e+01 145.349 0.8196 
1 1 1 7  4  20 o 12 2.00258e+02 2.07423e+01 8.45034e+01 4.980   3.36503e+00  2.93216e-01  0.00000e+00 0.00000e+00 1.40081e+02 4.980   5.55778e+01 4.980   0.8345 
1 1 1 7  4  21 o 8  2.62106e+02 4.04558e+01 2.44015e+01 66.731  4.40541e-01  1.02444e+00  0.00000e+00 0.00000e+00 1.48471e+02 66.731  1.24070e+02 66.731  0.4857 
1 1 1 7  4  23 o 12 1.69040e+02 2.35998e+01 8.66393e+01 314.217 1.89981e+00  -1.95249e+00 0.00000e+00 0.00000e+00 9.81443e+01 314.217 1.15050e+01 314.217 0.7873 
1 1 1 7  4  24 o 10 3.18307e+02 5.18423e+01 1.65307e+02 235.839 -4.85441e+00 -7.15365e+00 0.00000e+00 0.00000e+00 2.55180e+02 235.839 8.98734e+01 235.839 0.9403 
1 1 1 7  4  25 o 13 2.27315e+02 5.95433e+01 9.75179e+01 160.879 -3.91586e+00 1.35757e+00  0.00000e+00 0.00000e+00 1.83417e+02 160.879 8.58992e+01 160.879 0.8689 
1 1 1 7  4  26 f 0  2.11725e+02 6.24507e+01 1.81742e+02 73.246  1.99563e+00  6.62889e+00  0.00000e+00 0.00000e+00 1.00335e+02 73.246  8.14073e+01 253.246 0.9247 
1 1 1 7  4  27 o 4  2.19483e+02 3.67101e+01 6.51196e+01 297.474 2.26353e+00  -4.35309e+00 0.00000e+00 0.00000e+00 2.20494e+02 297.474 1.55374e+02 297.474 0.8912 
1 1 1 7  4  28 o 16 1.59071e+02 2.45876e+01 6.90080e+01 306.610 3.14969e+00  -4.23956e+00 0.00000e+00 0.00000e+00 1.42851e+02 306.610 7.38432e+01 306.610 0.8995 
1 1 1 7  4  29 o 12 1.14896e+02 2.95668e+01 6.35314e+01 252.523 -1.08766e+00 -3.45440e+00 0.00000e+00 0.00000e+00 8.26794e+01 252.523 1.91480e+01 252.523 0.8472 
1 1 1 7  4  30 o 8  7.85677e+01 3.08583e+01 6.61785e+01 157.631 -2.56475e+00 1.05547e+00  0.00000e+00 0.00000e+00 2.86565e+01 157.631 3.75220e+01 337.631 0.7917 
1 1 1 7  4  31 o 7  1.09204e+02 2.82514e+01 6.60541e+01 74.797  1.24205e+00  4.57062e+00  0.00000e+00 0.00000e+00 8.38920e+01 74.797  1.78379e+01 74.797  0.8869 
1 1 1 7  4  32 o 6  9.72559e+01 3.17468e+01 8.51333e+01 338.753 5.29800e+00  -2.06000e+00 0.00000e+00 0.00000e+00 5.36462e+01 338.753 3.14871e+01 158.753 0.9072 
1 1 1 7  4  33 o 8  4.77327e+01 2.28309e+01 2.33620e+01 50.862  7.73921e-01  9.51032e-01  0.00000e+00 0.00000e+00 1.63878e+01 50.862  6.97418e+00 230.862 0.5208 
1 1 1 7  4  34 o 19 6.92205e+01 2.93918e+01 2.18766e+01 290.070 4.61172e-01  -1.26229e+00 0.00000e+00 0.00000e+00 4.06112e+01 290.070 1.87345e+01 290.070 0.5551 
1 1 1 7  4  35 o 12 5.21820e+01 2.51041e+01 6.81279e+00 128.037 -2.63535e-01 3.36859e-01  0.00000e+00 0.00000e+00 1.12432e+01 128.037 4.43041e+00 128.037 0.2091 
1 1 1 7  4  36 o 18 6.35145e+01 2.90794e+01 4.52797e+01 135.463 -2.15911e+00 2.12453e+00  0.00000e+00 0.00000e+00 4.16173e+01 135.463 3.66241e+00 315.463 0.8121 
1 1 1 7  4  37 o 3  4.11188e+01 2.07481e+01 1.65794e+01 287.474 3.89494e-01  -1.23726e+00 0.00000e+00 0.00000e+00 2.16520e+01 287.474 5.07267e+00 287.474 0.5418 
1 1 1 7  5  0  o 10 8.37719e+01 2.55847e+01 1.50187e+02 270.000 2.49027e-08  -2.84854e-01 0.00000e+00 0.00000e+00 1.21817e+02 90.000  2.72004e+02 90.000  0.2774 
1 1 1 7  5  1  o 12 8.11155e+02 3.68538e+01 5.95047e+02 112.986 -8.26423e+00 1.94824e+01  0.00000e+00 0.00000e+00 3.71811e+02 112.986 2.23236e+02 292.986 0.9761 
1 1 1 7  5  2  o 16 5.94819e+02 2.08423e+01 4.34758e+02 95.178  -1.03605e+00 1.14333e+01  0.00000e+00 0.00000e+00 2.59742e+02 95.178  1.75017e+02 275.178 0.9554 
1 1 1 7  5  3  o 19 5.43253e+02 1.60378e+01 5.32896e+02 38.305  1.18661e+01  9.37297e+00  0.00000e+00 0.00000e+00 1.09473e+02 38.305  4.23423e+02 218.305 0.9663 
1 1 1 7  5  4  o 15 1.05748e+03 2.63412e+01 6.41117e+02 256.208 -8.09938e+00 -3.29935e+01 0.00000e+00 0.00000e+00 6.35903e+02 256.208 5.21428e+00 76.208  0.9852 
1 1 1 7  5  5  o 7  4.69136e+02 1.27803e+01 3.41134e+02 258.498 -1.91266e+00 -9.39955e+00 0.00000e+00 0.00000e+00 2.04309e+02 258.498 1.36825e+02 78.498  0.9463 
1 1 1 7  5  6  f 0  4.84992e+02 1.30157e+01 2.48168e+02 25.139  6.27070e+00  2.94256e+00  0.00000e+00 0.00000e+00 3.04347e+02 25.139  5.61783e+01 25.139  0.9247 
1 1 1 7  5  7  o 18 3.72433e+02 1.15292e+01 1.44910e+02 282.156 7.36315e-01  -3.41836e+00 0.00000e+00 0.00000e+00 2.42205e+02 282.156 9.72951e+01 282.156 0.8409 
1 1 1 7  5  8  o 4  5.56165e+02 1.41424e+01 2.54255e+02 84.123  1.23207e+00  1.19698e+01  0.00000e+00 0.00000e+00 4.06462e+02 84.123  1.52207e+02 84.123  0.9575 
1 1 1 7  5  9  o 10 3.95958e+02 1.19422e+01 1.84084e+02 17.041  5.64647e+00  1.73075e+00  0.00000e+00 0.00000e+00 2.65322e+02 17.041  8.12380e+01 17.041  0.9109 
1 1 1 7  5  10 o 3  2.21468e+02 1.04794e+01 2.22007e+02 176.677 -4.06048e+00 2.35782e-01  0.00000e+00 0.00000e+00 1.81388e+01 176.677 2.03868e+02 356.677 0.8661 
1 1 1 7  5  11 o 13 5.40447e+02 1.40782e+01 2.44224e+02 112.072 -4.00187e+00 9.86934e+00  0.00000e+00 0.00000e+00 4.03255e+02 112.072 1.59031e+02 112.072 0.9518 
1 1 1 7  5  12 o 12 1.66406e+02 1.10365e+01 9.49071e+01 266.342 -9.79500e-02 -1.53201e+00 0.00000e+00 0.00000e+00 3.24852e+01 266.342 6.24220e+01 86.342  0.6047 
1 1 1 7  5  13 o 8  2.71102e+02 1.28059e+01 2.41538e+02 320.425 5.96228e+00  -4.92806e+00 0.00000e+00 0.00000e+00 8.06811e+01 320.425 1.60857e+02 140.425 0.9329 
1 1 1 7  5  14 o 12 2.61988e+02 1.16135e+01 1.48374e+02 108.946 -1.71031e+00 4.98234e+00  0.00000e+00 0.00000e+00 1.53821e+02 108.946 5.44703e+00 108.946 0.8992 
1 1 1 7  5  15 o 12 2.37634e+02 1.22932e+01 1.42720e+02 194.091 -3.96933e+00 -9.96367e-01 0.00000e+00 0.00000e+00 1.23491e+02 194.091 1.92294e+01 14.091  0.8670 
1 1 1 7  5  16 o 11 4.34505e+02 1.58897e+01 1.82220e+02 257.426 -2.49786e+00 -1.11988e+01 0.00000e+00 0.00000e+00 3.58372e+02 257.426 1.76152e+02 257.426 0.9554 
1 1 1 7  5  17 o 18 4.28432e+02 1.59840e+01 3.05645e+02 28.586  1.95725e+01  1.06651e+01  0.00000e+00 0.00000e+00 2.44182e+02 28.586  6.14623e+01 208.586 0.9773 
1 1 1 7  5  20 o 16 2.23896e+02 2.02324e+01 1.27563e+02 304.604 3.18948e+00  -4.62274e+00 0.00000e+00 0.00000e+00 1.46356e+02 304.604 1.87936e+01 304.604 0.9060 
1 1 1 7  5  21 o 9  1.35374e+02 2.34487e+01 1.09337e+02 168.744 -2.20915e+00 4.39659e-01  0.00000e+00 0.00000e+00 2.64582e+01 168.744 8.28784e+01 348.744 0.7352 
1 1 1 7  5  22 o 18 2.66861e+02 3.23350e+01 1.71391e+02 212.901 -7.09715e+00 -4.59151e+00 0.00000e+00 0.00000e+00 1.74187e+02 212.901 2.79635e+00 212.901 0.9388 
1 1 1 7  5  23 o 2  4.50328e+02 1.89269e+01 1.65605e+02 52.812  8.53927e+00  1.12550e+01  0.00000e+00 0.00000e+00 4.39978e+02 52.812  2.74374e+02 52.812  0.9639 
1 1 1 7  5  24 o 1  2.56828e+02 3.89768e+01 1.55847e+02 8.477   8.49343e+00  1.26581e+00  0.00000e+00 0.00000e+00 1.84906e+02 8.477   2.90586e+01 8.477   0.9398 
1 1 1 7  5  25 o 18 2.13354e+02 6.08310e+01 5.77017e+01 191.766 -2.19559e+00 -4.57317e-01 0.00000e+00 0.00000e+00 1.66083e+02 191.766 1.08381e+02 191.766 0.7339 
1 1 1 7  5  26 o 11 1.83208e+02 2.44930e+01 6.97883e+01 104.947 -1.07205e+00 4.01591e+00  0.00000e+00 0.00000e+00 1.60782e+02 104.947 9.09941e+01 104.947 0.8693 
1 1 1 7  5  27 o 6  2.27924e+02 3.60609e+01 1.23469e+02 297.570 4.45277e+00  -8.52836e+00 0.00000e+00 0.00000e+00 1.93061e+02 297.570 6.95922e+01 297.570 0.9465 
1 1 1 7  5  28 o 8  1.90003e+02 2.16560e+01 9.81665e+01 143.547 -7.55134e+00 5.57820e+00  0.00000e+00 0.00000e+00 1.69001e+02 143.547 7.08340e+01 143.547 0.9451 
1 1 1 7  5  29 o 2  5.67916e+01 2.64633e+01 3.20999e+01 150.047 -8.34601e-01 4.80935e-01  0.00000e+00 0.00000e+00 5.03296e+00 150.047 2.70670e+01 330.047 0.4332 
1 1 1 7  5  30 o 17 1.51362e+02 2.25364e+01 8.72299e+01 335.249 7.77800e+00  -3.58590e+00 0.00000e+00 0.00000e+00 1.30653e+02 335.249 4.34227e+01 335.249 0.9397 
1 1 1 7  5  31 o 5  5.50001e+01 2.45410e+01 2.65406e+01 84.327  1.04853e-01  1.05562e+00  0.00000e+00 0.00000e+00 1.34609e+01 84.327  1.30797e+01 264.327 0.4675 
1 1 1 7  5  32 o 17 5.12115e+01 2.40624e+01 3.26889e+01 211.651 -1.40484e+00 -8.65989e-01 0.00000e+00 0.00000e+00 1.83983e+01 211.651 1.42906e+01 31.651  0.6312 
1 1 1 7  5  33 o 6  6.78791e+01 3.08974e+01 2.73967e+01 211.978 -1.25140e+00 -7.81305e-01 0.00000e+00 0.00000e+00 3.69444e+01 211.978 9.54769e+00 211.978 0.5900 
1 1 1 7  5  34 o 11 6.35188e+01 2.78822e+01 1.88225e+01 73.964  3.11519e-01  1.08385e+00  0.00000e+00 0.00000e+00 3.20177e+01 73.964  1.31952e+01 73.964  0.4898 
1 1 1 7  5  35 o 14 7.19629e+01 3.05680e+01 1.84852e+01 338.498 1.13424e+00  -4.46829e-01 0.00000e+00 0.00000e+00 4.35745e+01 338.498 2.50893e+01 338.498 0.5187 
1 1 1 7  5  36 o 4  4.99439e+01 2.44636e+01 2.76932e+01 243.452 -9.04768e-01 -1.81088e+00 0.00000e+00 0.00000e+00 3.16337e+01 243.452 3.94045e+00 243.452 0.7017 
1 1 1 7  5  37 o 9  7.90637e+01 3.33631e+01 8.93952e+00 114.523 -2.62887e-01 5.76248e-01  0.00000e+00 0.00000e+00 3.22034e+01 114.523 2.32638e+01 114.523 0.3018 
1 1 1 7  6  0  f 0  9.50596e+01 2.47044e+01 1.95209e+02 270.000 -2.92715e-17 -4.78040e-01 0.00000e+00 0.00000e+00 1.43299e+02 90.000  3.38508e+02 90.000  0.4447 
1 1 1 7  6  1  o 12 4.75222e+02 1.49079e+01 4.62276e+02 60.353  5.59129e+00  9.82353e+00  0.00000e+00 0.00000e+00 9.50077e+01 60.353  3.67268e+02 240.353 0.9547 
1 1 1 7  6  2  o 19 1.51176e+02 1.39390e+01 1.01430e+02 345.907 7.56860e-01  -1.90010e-01 0.00000e+00 0.00000e+00 3.39331e+01 165.907 1.35363e+02 165.907 0.3632 
1 1 1 7  6  3  o 14 3.20326e+02 1.54454e+01 2.91645e+02 211.718 -3.96116e+00 -2.44817e+00 0.00000e+00 0.00000e+00 5.71849e+01 211.718 2.34460e+02 31.718  0.8848 
1 1 1 7  6  4  o 3  3.89036e+02 1.65598e+01 1.26294e+02 34.730  2.38392e+00  1.65252e+00  0.00000e+00 0.00000e+00 2.58585e+02 34.730  1.32291e+02 34.730  0.8024 
1 1 1 7  6  5  f 0  5.90384e+02 1.69149e+01 3.03144e+02 298.286 4.84457e+00  -9.00266e+00 0.00000e+00 0.00000e+00 3.89795e+02 298.286 8.66508e+01 298.286 0.9498 
1 1 1 7  6  6  o 15 2.29663e+02 1.00324e+01 1.99376e+02 61.162  1.43821e+00  2.61203e+00  0.00000e+00 0.00000e+00 3.07647e+01 61.162  1.68612e+02 241.162 0.8086 
1 1 1 7  6  7  o 10 6.30093e+02 1.52830e+01 3.52999e+02 25.923  1.24143e+01  6.03408e+00  0.00000e+00 0.00000e+00 4.01464e+02 25.923  4.84651e+01 25.923  0.9631 
1 1 1 7  6  8  o 19 1.64676e+02 1.01121e+01 1.65766e+02 223.186 -1.64135e+00 -1.54059e+00 0.00000e+00 0.00000e+00 1.47134e+01 43.186  1.80480e+02 43.186  0.7350 
1 1 1 7  6  9  o 10 5.06741e+02 1.34809e+01 1.04457e+02 106.659 -1.27615e+00 4.26481e+00  0.00000e+00 0.00000e+00 4.53760e+02 106.659 3.49304e+02 106.659 0.8789 
1 1 1 7  6  10 o 19 2.60021e+02 1.07131e+01 1.29850e+02 92.694  -1.31746e-01 2.79995e+00  0.00000e+00 0.00000e+00 1.30259e+02 92.694  4.09146e-01 92.694  0.7943 
1 1 1 7  6  11 o 3  1.47195e+02 1.11338e+01 8.96082e+01 281.473 2.78226e-01  -1.37087e+00 0.00000e+00 0.00000e+00 1.66376e+01 281.473 7.29706e+01 101.473 0.5701 
1 1 1 7  6  12 o 12 1.66884e+02 1.10996e+01 1.13841e+02 316.976 1.31435e+00  -1.22667e+00 0.00000e+00 0.00000e+00 2.67655e+01 316.976 8.70757e+01 136.976 0.6616 
1 1 1 7  6  13 o 13 2.27574e+02 1.13460e+01 1.29274e+02 274.842 3.47603e-01  -4.10331e+00 0.00000e+00 0.00000e+00 1.23841e+02 274.842 5.43251e+00 94.842  0.8679 
1 1 1 7  6  14 o 9  2.74010e+02 1.19597e+01 3.54895e+01 293.715 5.88450e-01  -1.33955e+00 0.00000e+00 0.00000e+00 1.71997e+02 293.715 1.36508e+02 293.715 0.5869 
1 1 1 7  6  15 o 10 4.76195e+02 1.61339e+01 3.23301e+02 52.379  1.10193e+01  1.42981e+01  0.00000e+00 0.00000e+00 2.78227e+02 52.379  4.50739e+01 232.379 0.9719 
1 1 1 7  6  16 o 8  1.70083e+02 1.88278e+01 1.43181e+02 189.715 -4.29328e+00 -7.35023e-01 0.00000e+00 0.00000e+00 5.19732e+01 189.715 9.12079e+01 9.715   0.8759 
1 1 1 7  6  18 o 17 6.54918e+01 2.38352e+01 6.93311e+01 236.622 -4.67632e-01 -7.09785e-01 0.00000e+00 0.00000e+00 3.52314e+01 56.622  1.04563e+02 56.622  0.3907 
1 1 1 7  6  19 o 14 1.23255e+02 2.31967e+01 3.15017e+01 130.921 -5.38814e-01 6.21570e-01  0.00000e+00 0.00000e+00 3.15016e+01 130.921 1.11580e-04 310.921 0.3800 
1 1 1 7  6  20 o 2  9.35578e+01 3.13691e+01 5.36577e+01 310.285 5.86004e-01  -6.91346e-01 0.00000e+00 0.00000e+00 1.27258e+00 130.285 5.49302e+01 130.285 0.4122 
1 1 1 7  6  21 o 15 2.85557e+02 3.92860e+01 2.63405e+02 213.780 -8.53235e+00 -5.70757e+00 0.00000e+00 0.00000e+00 1.08909e+02 213.780 1.54496e+02 33.780  0.9500 
1 1 1 7  6  22 o 18 1.73833e+02 2.62069e+01 1.49055e+01 62.431  2.13241e-01  4.08440e-01  0.00000e+00 0.00000e+00 3.92340e+01 62.431  2.43285e+01 62.431  0.2245 
1 1 1 7  6  23 o 3  2.70720e+02 2.00323e+01 8.98949e+01 275.422 4.36832e-01  -4.60196e+00 0.00000e+00 0.00000e+00 2.45868e+02 275.422 1.55974e+02 275.422 0.8838 
1 1 1 7  6  24 o 15 1.15080e+02 3.19294e+01 3.59804e+01 13.516  9.27041e-01  2.22833e-01  0.00000e+00 0.00000e+00 3.42308e+01 13.516  1.74962e+00 193.516 0.4297 
1 1 1 7  6  25 o 9  1.12683e+02 3.37084e+01 9.78500e+01 72.102  8.67311e-01  2.68559e+00  0.00000e+00 0.00000e+00 3.10914e+01 72.102  6.67586e+01 252.102 0.7959 
1 1 1 7  6  26 o 14 1.88362e+02 2.32984e+01 6.15469e+01 261.050 -7.36855e-01 -4.67899e+00 0.00000e+00 0.00000e+00 1.81735e+02 261.050 1.20188e+02 261.050 0.8869 
1 1 1 7  6  27 o 5  1.14032e+02 3.12818e+01 2.74399e+01 301.409 6.02912e-01  -9.87366e-01 0.00000e+00 0.00000e+00 5.65781e+01 301.409 2.91383e+01 301.409 0.4992 
1 1 1 7  6  28 f 0  7.79222e+01 2.92305e+01 4.76153e+01 203.940 -1.51111e+00 -6.70882e-01 0.00000e+00 0.00000e+00 2.60607e+01 203.940 2.15546e+01 23.940  0.6318 
1 1 1 7  6  29 o 11 1.32475e+02 3.20980e+01 4.97164e+01 16.652  2.71590e+00  8.12316e-01  0.00000e+00 0.00000e+00 1.10572e+02 16.652  6.08554e+01 16.652  0.7970 
1 1 1 7  6  30 o 16 9.72949e+01 2.83202e+01 9.05585e+01 3.888   5.29932e+00  3.60133e-01  0.00000e+00 0.00000e+00 4.43926e+01 3.888   4.61658e+01 183.888 0.9001 
1 1 1 7  6  31 f 0  7.29979e+01 2.81565e+01 5.47788e+01 269.607 -1.96036e-02 -2.86041e+00 0.00000e+00 0.00000e+00 3.65016e+01 269.607 1.82772e+01 89.607  0.7991 
1 1 1 7  6  32 o 16 1.08524e+02 3.20805e+01 8.21465e+01 155.627 -5.89965e+00 2.67291e+00  0.00000e+00 0.00000e+00 7.64478e+01 155.627 5.69869e+00 335.627 0.9192 
1 1 1 7  6  33 o 14 5.17487e+01 2.52473e+01 3.39019e+01 139.581 -1.36466e+00 1.16220e+00  0.00000e+00 0.00000e+00 2.13439e+01 139.581 1.25580e+01 319.581 0.6606 
1 1 1 7  6  34 o 13 5.86864e+01 2.67001e+01 1.49862e+01 357.915 9.32201e-01  -3.39446e-02 0.00000e+00 0.00000e+00 2.57279e+01 357.915 1.07417e+01 357.915 0.4221 
1 1 1 7  6  35 o 13 6.36248e+01 2.86902e+01 2.07906e+01 52.607  8.32911e-01  1.08968e+00  0.00000e+00 0.00000e+00 3.90924e+01 52.607  1.83018e+01 52.607  0.5627 
1 1 1 7  6  36 o 2  6.76321e+01 3.05674e+01 1.50582e+01 317.303 7.69765e-01  -7.10249e-01 0.00000e+00 0.00000e+00 3.82520e+01 317.303 2.31938e+01 317.303 0.4629 
1 1 1 7  6  37 o 9  4.39350e+01 2.19717e+01 5.49018e+00 72.764  1.29683e-01  4.18000e-01  0.00000e+00 0.00000e+00 1.07975e+01 72.764  5.30727e+00 72.764  0.2137 
1 1 1 7  7  0  o 16 5.60571e+01 2.47970e+01 1.25846e+02 90.000  1.28233e-17  2.09421e-01  0.00000e+00 0.00000e+00 1.11537e+02 270.000 2.37383e+02 270.000 0.2064 
1 1 1 7  7  1  o 19 5.73132e+02 1.65879e+01 4.50205e+02 309.666 9.75421e+00  -1.17631e+01 0.00000e+00 0.00000e+00 2.35092e+02 309.666 2.15113e+02 129.666 0.9667 
1 1 1 7  7  2  o 14 1.10002e+03 3.34406e+01 7.46746e+02 153.166 -4.16618e+01 2.10755e+01  0.00000e+00 0.00000e+00 6.00226e+02 153.166 1.46520e+02 333.166 0.9892 
1 1 1 7  7  3  o 4  1.03761e+03 3.18088e+01 5.94934e+02 197.149 -3.30671e+01 -1.02037e+01 0.00000e+00 0.00000e+00 6.72345e+02 197.149 7.74107e+01 197.149 0.9854 
1 1 1 7  7  4  o 6  9.27393e+02 2.36035e+01 5.07880e+02 299.213 1.27788e+01  -2.28531e+01 0.00000e+00 0.00000e+00 6.21340e+02 299.213 1.13460e+02 299.213 0.9807 
1 1 1 7  7  5  o 18 6.92658e+02 1.88528e+01 6.59013e+02 12.512  2.84322e+01  6.30933e+00  0.00000e+00 0.00000e+00 1.87998e+02 12.512  4.71016e+02 192.512 0.9827 
1 1 1 7  7  6  o 10 2.45714e+02 1.02523e+01 1.12648e+02 266.620 -1.40514e-01 -2.37938e+00 0.00000e+00 0.00000e+00 1.17838e+02 266.620 5.19031e+00 266.620 0.7517 
1 1 1 7  7  7  o 1  5.57021e+02 1.42099e+01 2.99773e+02 146.048 -1.13999e+01 7.67557e+00  0.00000e+00 0.00000e+00 3.71718e+02 146.048 7.19452e+01 146.048 0.9629 
1 1 1 7  7  8  o 3  2.58824e+02 1.04580e+01 1.41273e+02 122.178 -1.65855e+00 2.63596e+00  0.00000e+00 0.00000e+00 1.24823e+02 122.178 1.64497e+01 302.178 0.8181 
1 1 1 7  7  9  o 6  2.23969e+02 1.03529e+01 1.57916e+02 35.672  2.41942e+00  1.73676e+00  0.00000e+00 0.00000e+00 7.05839e+01 35.672  8.73323e+01 215.672 0.8084 
1 1 1 7  7  10 o 11 5.03499e+02 1.34932e+01 1.99174e+02 6.327   1.07197e+01  1.18859e+00  0.00000e+00 0.00000e+00 4.08978e+02 6.327   2.09804e+02 6.327   0.9524 
1 1 1 7  7  11 o 19 3.67270e+02 1.18394e+01 2.56034e+02 273.907 6.18942e-01  -9.06184e+00 0.00000e+00 0.00000e+00 1.85614e+02 273.907 7.04206e+01 93.907  0.9432 
1 1 1 7  7  12 o 5  6.85016e+02 1.64927e+01 2.81529e+02 195.010 -2.18252e+01 -5.85233e+00 0.00000e+00 0.00000e+00 5.77207e+02 195.010 2.95678e+02 195.010 0.9776 
1 1 1 7  7  13 f 0  1.56719e+02 1.20776e+01 1.63408e+02 52.442  2.12269e+00  2.76057e+00  0.00000e+00 0.00000e+00 6.50334e+00 52.442  1.56904e+02 232.442 0.8402 
1 1 1 7  7  14 o 15 3.18836e+01 1.46645e+01 3.35014e+01 169.007 -1.26923e-01 2.46546e-02  0.00000e+00 0.00000e+00 3.08290e+01 349.007 6.43304e+01 349.007 0.0645 
1 1 1 7  7  15 o 17 3.70701e+02 1.49651e+01 2.29291e+02 8.648   1.23488e+01  1.87813e+00  0.00000e+00 0.00000e+00 2.36025e+02 8.648   6.73354e+00 8.648   0.9591 
1 1 1 7  7  16 o 3  3.33916e+02 1.30224e+01 2.25807e+02 28.438  1.15554e+01  6.25784e+00  0.00000e+00 0.00000e+00 1.97535e+02 28.438  2.82727e+01 208.438 0.9612 
1 1 1 7  7  17 o 10 3.96349e+02 1.59168e+01 2.14849e+02 131.348 -1.03020e+01 1.17067e+01  0.00000e+00 0.00000e+00 2.95126e+02 131.348 8.02769e+01 131.348 0.9674 
1 1 1 7  7  18 o 3  3.12404e+02 1.56849e+01 2.13294e+02 236.890 -6.97689e+00 -1.06984e+01 0.00000e+00 0.00000e+00 1.89145e+02 236.890 2.41494e+01 56.890  0.9600 
1 1 1 7  7  19 o 4  6.71096e+01 2.53373e+01 5.90637e+01 305.304 4.48094e-01  -6.32767e-01 0.00000e+00 0.00000e+00 2.62331e+01 125.304 8.52968e+01 125.304 0.3612 
1 1 1 7  7  20 o 8  2.45779e+02 3.12553e+01 2.16044e+02 79.570  1.83477e+00  9.96706e+00  0.00000e+00 0.00000e+00 1.03093e+02 79.570  1.12951e+02 259.570 0.9493 
1 1 1 7  7  21 o 12 1.12756e+02 2.64115e+01 1.10631e+02 236.483 -1.10942e+00 -1.67507e+00 0.00000e+00 0.00000e+00 1.66163e+00 56.483  1.12292e+02 56.483  0.6993 
1 1 1 7  7  22 o 16 2.33896e+02 5.43345e+01 2.02128e+02 99.732  -1.09908e+00 6.40844e+00  0.00000e+00 0.00000e+00 9.83471e+01 99.732  1.03781e+02 279.732 0.9195 
1 1 1 7  7  23 o 4  1.61794e+02 2.65950e+01 1.12208e+02 91.431  -9.78877e-02 3.91910e+00  0.00000e+00 0.00000e+00 8.44952e+01 91.431  2.77130e+01 271.431 0.8604 
1 1 1 7  7  24 o 1  2.99798e+02 5.89549e+01 2.67058e+02 245.370 -5.80809e+00 -1.26687e+01 0.00000e+00 0.00000e+00 1.45943e+02 245.370 1.21115e+02 65.370  0.9634 
1 1 1 7  7  25 o 9  1.03290e+02 3.65137e+01 5.20600e+01 10.188  1.44406e+00  2.59526e-01  0.00000e+00 0.00000e+00 3.58511e+01 10.188  1.62089e+01 190.188 0.5879 
1 1 1 7  7  26 o 2  1.99534e+02 2.26325e+01 1.42755e+02 36.861  9.32719e+00  6.99315e+00  0.00000e+00 0.00000e+00 1.36998e+02 36.861  5.75687e+00 216.861 0.9561 
1 1 1 7  7  27 o 13 5.19470e+01 2.42614e+01 4.69141e+01 165.091 -9.45722e-01 2.51801e-01  0.00000e+00 0.00000e+00 1.30400e+01 345.091 5.99541e+01 345.091 0.4388 
1 1 1 7  7  28 o 14 9.40470e+01 3.05350e+01 4.65764e+01 301.864 1.09776e+00  -1.76607e+00 0.00000e+00 0.00000e+00 5.41005e+01 301.864 7.52407e+00 301.864 0.7104 
1 1 1 7  7  29 o 1  9.17337e+01 2.95611e+01 8.09115e+01 251.815 -1.09300e+00 -3.32738e+00 0.00000e+00 0.00000e+00 3.70569e+01 251.815 4.38546e+01 71.815  0.8412 
1 1 1 7  7  30 f 0  7.39541e+01 2.81539e+01 7.47228e+01 150.140 -3.01624e+00 1.73161e+00  0.00000e+00 0.00000e+00 2.16599e+01 150.140 5.30629e+01 330.140 0.8399 
1 1 1 7  7  31 o 8  7.17461e+01 2.85171e+01 1.60076e+01 72.345  2.59260e-01  8.14592e-01  0.00000e+00 0.00000e+00 2.83763e+01 72.345  1.23688e+01 72.345  0.3926 
1 1 1 7  7  32 o 17 5.19243e+01 2.40640e+01 1.11701e+01 170.824 -5.95272e-01 9.61556e-02  0.00000e+00 0.00000e+00 1.28179e+01 170.824 1.64776e+00 170.824 0.2886 
1 1 1 7  7  33 o 13 9.08700e+01 3.16882e+01 3.90057e+01 32.540  2.33101e+00  1.48732e+00  0.00000e+00 0.00000e+00 7.79665e+01 32.540  3.89609e+01 32.540  0.7910 
1 1 1 7  7  34 o 6  4.94250e+01 2.37982e+01 3.36595e+01 314.147 1.52406e+00  -1.57014e+00 0.00000e+00 0.00000e+00 2.57605e+01 314.147 7.89894e+00 134.147 0.7264 
1 1 1 7  7  35 o 8  4.84012e+01 2.35705e+01 2.14342e+01 194.590 -1.34886e+00 -3.51103e-01 0.00000e+00 0.00000e+00 2.49285e+01 194.590 3.49435e+00 194.590 0.5688 
1 1 1 7  7  36 o 19 3.84724e+01 1.95263e+01 8.20191e+00 56.802  3.40552e-01  5.20457e-01  0.00000e+00 0.00000e+00 1.13799e+01 56.802  3.17803e+00 56.802  0.2969 
1 1 1 7  7  37 o 12 6.08186e+01 2.85381e+01 1.22383e+01 349.153 8.67381e-01  -1.66196e-01 0.00000e+00 0.00000e+00 3.06156e+01 349.153 1.83773e+01 349.153 0.4035 
1 1 1 7  8  0  o 11 3.75728e+02 2.33783e+01 1.92033e+01 270.000 2.07953e-08  -2.37871e-01 0.00000e+00 0.00000e+00 9.01478e+01 270.000 7.09445e+01 270.000 0.2335 
1 1 1 7  8  1  o 12 6.60309e+02 1.82267e+01 3.33411e+02 345.349 1.39623e+01  -3.65021e+00 0.00000e+00 0.00000e+00 4.60818e+02 345.349 1.27407e+02 345.349 0.9647 
1 1 1 7  8  2  o 13 5.23487e+02 1.57282e+01 2.58950e+02 190.372 -8.68225e+00 -1.58906e+00 0.00000e+00 0.00000e+00 3.56040e+02 190.372 9.70901e+01 190.372 0.9415 
1 1 1 7  8  3  o 16 8.59677e+02 2.72518e+01 4.87994e+02 111.670 -9.72692e+00 2.44796e+01  0.00000e+00 0.00000e+00 5.65443e+02 111.670 7.74492e+01 111.670 0.9808 
1 1 1 7  8  4  o 9  4.58629e+02 1.46487e+01 2.48618e+02 312.318 4.81084e+00  -5.28369e+00 0.00000e+00 0.00000e+00 2.83547e+02 312.318 3.49290e+01 312.318 0.9271 
1 1 1 7  8  5  o 4  4.62254e+02 1.47359e+01 2.96519e+02 349.669 1.13588e+01  -2.07049e+00 0.00000e+00 0.00000e+00 2.57618e+02 349.669 3.89017e+01 169.669 0.9557 
1 1 1 7  8  6  o 19 5.71160e+02 1.66512e+01 4.68609e+02 55.621  1.22777e+01  1.79450e+01  0.00000e+00 0.00000e+00 2.33117e+02 55.621  2.35492e+02 235.621 0.9767 
1 1 1 7  8  7  o 3  2.11412e+02 1.01422e+01 2.80037e+02 211.751 -4.27711e+00 -2.64686e+00 0.00000e+00 0.00000e+00 4.14967e+01 31.751  3.21534e+02 31.751  0.8941 
1 1 1 7  8  8  o 9  2.20599e+02 1.03198e+01 8.75560e+01 11.031  1.60099e+00  3.12103e-01  0.00000e+00 0.00000e+00 8.76369e+01 11.031  8.09346e-02 11.031  0.6269 
1 1 1 7  8  9  o 8  1.14561e+02 1.12907e+01 1.77409e+02 80.771  3.54665e-01  2.18273e+00  0.00000e+00 0.00000e+00 7.10720e+01 260.771 2.48481e+02 260.771 0.7296 
1 1 1 7  8  10 o 5  4.11624e+02 1.23182e+01 2.54331e+02 242.390 -4.74095e+00 -9.06473e+00 0.00000e+00 0.00000e+00 2.45442e+02 242.390 8.88830e+00 62.390  0.9498 
1 1 1 7  8  11 o 11 4.64307e+02 1.30859e+01 1.74534e+02 81.562  1.42648e+00  9.61557e+00  0.00000e+00 0.00000e+00 3.90579e+02 81.562  2.16044e+02 81.562  0.9471 
1 1 1 7  8  12 o 6  3.21385e+02 1.15625e+01 2.11278e+02 204.889 -8.54660e+00 -3.96516e+00 0.00000e+00 0.00000e+00 1.81437e+02 204.889 2.98412e+01 24.889  0.9453 
1 1 1 7  8  13 o 17 3.47029e+02 1.21392e+01 9.52532e+01 297.668 2.30048e+00  -4.38780e+00 0.00000e+00 0.00000e+00 3.07542e+02 297.668 2.12289e+02 297.668 0.8923 
1 1 1 7  8  14 o 8  2.31726e+02 1.21310e+01 2.56600e+02 1.364   9.01308e+00  2.14641e-01  0.00000e+00 0.00000e+00 2.95215e+01 1.364   2.27078e+02 181.364 0.9428 
1 1 1 7  8  15 o 18 1.70953e+02 1.60115e+01 1.04956e+02 65.853  1.33386e+00  2.97538e+00  0.00000e+00 0.00000e+00 8.16846e+01 65.853  2.32713e+01 245.853 0.8276 
1 1 1 7  8  16 o 17 2.66867e+02 1.32666e+01 1.04390e+02 253.569 -1.49621e+00 -5.07354e+00 0.00000e+00 0.00000e+00 2.14852e+02 253.569 1.10462e+02 253.569 0.8997 
1 1 1 7  8  17 o 11 2.14326e+02 1.43174e+01 6.91828e+01 144.622 -2.24298e+00 1.59268e+00  0.00000e+00 0.00000e+00 1.57753e+02 144.622 8.85706e+01 144.622 0.7897 
1 1 1 7  8  18 o 5  1.75094e+02 1.79139e+01 7.94251e+01 233.667 -1.82333e+00 -2.47916e+00 0.00000e+00 0.00000e+00 1.13728e+02 233.667 3.43025e+01 233.667 0.8156 
1 1 1 7  8  19 f 0  2.46754e+02 4.10930e+01 2.11046e+02 61.090  4.23026e+00  7.66007e+00  0.00000e+00 0.00000e+00 1.05971e+02 61.090  1.05075e+02 241.090 0.9410 
1 1 1 7  8  20 o 19 2.19505e+02 4.79108e+01 1.43366e+02 257.843 -8.55367e-01 -3.97079e+00 0.00000e+00 0.00000e+00 1.18690e+02 257.843 2.46758e+01 77.843  0.8659 
1 1 1 7  8  21 f 0  2.63544e+02 2.16280e+01 2.97480e+01 256.442 -3.69009e-01 -1.53016e+00 0.00000e+00 0.00000e+00 1.95648e+02 256.442 1.65900e+02 256.442 0.6139 
1 1 1 7  8  22 o 18 1.11441e+02 2.93848e+01 4.37782e+01 354.837 8.69343e-01  -7.85462e-02 0.00000e+00 0.00000e+00 1.89275e+01 354.837 2.48507e+01 174.837 0.3995 
1 1 1 7  8  23 o 18 2.39189e+02 5.90512e+01 1.36388e+02 194.169 -5.24376e+00 -1.32389e+00 0.00000e+00 0.00000e+00 1.70944e+02 194.169 3.45563e+01 194.169 0.9021 
1 1 1 7  8  25 o 18 6.67570e+01 2.87052e+01 6.99053e+00 222.779 -1.06826e-01 -9.88500e-02 0.00000e+00 0.00000e+00 8.00734e-02 222.779 6.91046e+00 42.779  0.0726 
1 1 1 7  8  26 o 17 5.40528e+01 2.51367e+01 1.08911e+02 292.336 9.41283e-01  -2.29100e+00 0.00000e+00 0.00000e+00 4.79909e+01 112.336 1.56902e+02 112.336 0.7625 
1 1 1 7  8  27 o 17 1.04929e+02 3.05067e+01 5.71448e+01 322.975 2.07293e+00  -1.56347e+00 0.00000e+00 0.00000e+00 6.46929e+01 322.975 7.54809e+00 322.975 0.7751 
1 1 1 7  8  28 o 17 7.61066e+01 3.14198e+01 5.76977e+01 340.832 1.98292e+00  -6.89283e-01 0.00000e+00 0.00000e+00 2.47783e+01 340.832 3.29194e+01 160.832 0.7134 
1 1 1 7  8  29 o 19 7.03224e+01 2.66274e+01 3.64105e+01 158.340 -1.41677e+00 5.62650e-01  0.00000e+00 0.00000e+00 2.88374e+01 158.340 7.57303e+00 338.340 0.6021 
1 1 1 7  8  30 o 17 1.59528e+02 2.23266e+01 1.24397e+02 168.329 -1.51590e+01 3.13120e+00  0.00000e+00 0.00000e+00 1.16919e+02 168.329 7.47847e+00 348.329 0.9671 
1 1 1 7  8  31 o 8  7.57447e+01 2.94083e+01 4.87890e+01 66.367  1.10486e+00  2.52496e+00  0.00000e+00 0.00000e+00 4.62785e+01 66.367  2.51052e+00 246.367 0.7902 
1 1 1 7  8  32 o 17 5.23930e+01 2.43102e+01 4.21301e+01 6.302   2.19593e+00  2.42519e-01  0.00000e+00 0.00000e+00 1.95336e+01 6.302   2.25965e+01 186.302 0.7293 
1 1 1 7  8  33 o 12 6.31493e+01 2.76121e+01 6.78710e+00 256.754 -9.15498e-02 -3.88919e-01 0.00000e+00 0.00000e+00 1.35057e+01 256.754 6.71862e+00 256.754 0.1959 
1 1 1 7  8  34 o 14 6.48002e+01 3.02712e+01 1.81172e+01 356.396 1.09580e+00  -6.90190e-02 0.00000e+00 0.00000e+00 3.37795e+01 356.396 1.56623e+01 356.396 0.4800 
1 1 1 7  8  35 o 19 5.93610e+01 2.77582e+01 9.02309e+00 270.598 6.35881e-03  -6.09621e-01 0.00000e+00 0.00000e+00 2.03519e+01 270.598 1.13288e+01 270.598 0.2915 
1 1 1 7  8  36 o 10 4.51528e+01 2.25120e+01 3.45368e+01 189.777 -2.53603e+00 -4.37009e-01 0.00000e+00 0.00000e+00 2.57683e+01 189.777 8.76853e+00 9.777   0.7728 
1 1 1 7  9  0  f 0  2.59399e+02 1.47570e+01 1.03407e+02 270.000 -7.10545e-17 -1.16041e+00 0.00000e+00 0.00000e+00 1.64529e+02 270.000 6.11222e+01 270.000 0.8212 
1 1 1 7  9  1  o 15 4.80970e+02 1.49867e+01 2.15876e+02 228.018 -5.95272e+00 -6.61531e+00 0.00000e+00 0.00000e+00 3.54179e+02 228.018 1.38302e+02 228.018 0.9420 
1 1 1 7  9  2  o 3  6.80134e+02 1.86246e+01 4.32936e+02 327.157 2.08700e+01  -1.34721e+01 0.00000e+00 0.00000e+00 4.06017e+02 327.157 2.69199e+01 147.157 0.9797 
1 1 1 7  9  3  o 18 3.63282e+02 1.62444e+01 2.83701e+02 31.853  7.30524e+00  4.53888e+00  0.00000e+00 0.00000e+00 1.46781e+02 31.853  1.36920e+02 211.853 0.9399 
1 1 1 7  9  4  o 19 1.82613e+02 1.43731e+01 5.32971e+01 116.515 -3.56131e-01 7.13810e-01  0.00000e+00 0.00000e+00 3.20739e+01 116.515 2.12233e+01 296.515 0.3702 
1 1 1 7  9  5  o 10 2.74592e+02 1.51166e+01 1.82605e+01 338.395 3.99968e-01  -1.58403e-01 0.00000e+00 0.00000e+00 5.48251e+01 338.395 3.65646e+01 338.395 0.2103 
1 1 1 7  9  6  o 10 2.42476e+02 1.19364e+01 8.87910e+01 105.724 -4.87646e-01 1.73209e+00  0.00000e+00 0.00000e+00 1.14938e+02 105.724 2.61468e+01 105.724 0.6619 
1 1 1 7  9  7  o 6  1.88980e+02 1.02481e+01 1.39268e+02 310.746 1.43920e+00  -1.67049e+00 0.00000e+00 0.00000e+00 3.61083e+01 310.746 1.03160e+02 130.746 0.7287 
1 1 1 7  9  8  o 8  1.77837e+02 1.02390e+01 1.45149e+02 34.263  2.31925e+00  1.57988e+00  0.00000e+00 0.00000e+00 3.54827e+01 34.263  1.09667e+02 214.263 0.7946 
1 1 1 7  9  9  o 17 3.56657e+02 1.15876e+01 1.59374e+02 103.270 -1.27971e+00 5.42646e+00  0.00000e+00 0.00000e+00 2.55104e+02 103.270 9.57294e+01 103.270 0.9052 
1 1 1 7  9  10 o 19 3.18841e+02 1.13086e+01 1.99782e+02 196.148 -7.41686e+00 -2.14757e+00 0.00000e+00 0.00000e+00 1.83875e+02 196.148 1.59070e+01 16.149  0.9328 
1 1 1 7  9  11 o 11 1.88744e+02 1.11055e+01 3.85965e+01 154.607 -9.24138e-01 4.38682e-01  0.00000e+00 0.00000e+00 7.26434e+01 154.607 3.40469e+01 154.607 0.4545 
1 1 1 7  9  12 o 1  2.11759e+02 1.16473e+01 2.24247e+02 20.790  6.75767e+00  2.56560e+00  0.00000e+00 0.00000e+00 3.20767e+01 20.790  1.92170e+02 200.790 0.9280 
1 1 1 7  9  13 o 4  2.88606e+02 1.18580e+01 1.16867e+02 124.833 -2.32139e+00 3.33598e+00  0.00000e+00 0.00000e+00 2.11179e+02 124.833 9.43121e+01 124.833 0.8659 
1 1 1 7  9  14 o 14 1.81412e+02 1.50926e+01 1.10740e+02 45.429  2.62108e+00  2.66060e+00  0.00000e+00 0.00000e+00 9.36459e+01 45.429  1.70944e+01 225.429 0.8525 
1 1 1 7  9  15 o 9  2.94745e+02 1.46466e+01 1.61991e+02 0.361   8.26408e+00  5.20691e-02  0.00000e+00 0.00000e+00 2.05831e+02 0.361   4.38401e+01 0.361   0.9374 
1 1 1 7  9  16 o 15 1.52883e+02 1.63329e+01 8.76973e+01 249.415 -8.87804e-01 -2.36382e+00 0.00000e+00 0.00000e+00 6.97788e+01 249.415 1.79186e+01 69.415  0.7677 
1 1 1 7  9  17 o 16 3.30563e+02 1.38898e+01 1.29819e+02 218.313 -6.53030e+00 -5.15967e+00 0.00000e+00 0.00000e+00 2.89617e+02 218.313 1.59798e+02 218.313 0.9378 
1 1 1 7  9  18 o 7  1.58396e+02 1.94743e+01 1.18750e+02 43.663  2.77738e+00  2.65073e+00  0.00000e+00 0.00000e+00 6.65439e+01 43.663  5.22065e+01 223.663 0.8570 
1 1 1 7  9  19 o 3  2.61432e+02 2.84846e+01 1.74841e+02 118.713 -4.31977e+00 7.88585e+00  0.00000e+00 0.00000e+00 1.64680e+02 118.713 1.01607e+01 298.713 0.9426 
1 1 1 7  9  20 o 19 1.86263e+02 1.86593e+01 7.34676e+01 273.825 1.54731e-01  -2.31448e+00 0.00000e+00 0.00000e+00 1.19312e+02 273.825 4.58444e+01 273.825 0.7439 
1 1 1 7  9  21 o 16 2.10620e+02 5.34716e+01 1.47965e+02 116.705 -1.95966e+00 3.89549e+00  0.00000e+00 0.00000e+00 1.11438e+02 116.705 3.65271e+01 296.705 0.8761 
1 1 1 7  9  22 o 18 2.35083e+02 5.48109e+01 1.29796e+02 102.394 -9.23035e-01 4.20026e+00  0.00000e+00 0.00000e+00 1.62248e+02 102.394 3.24517e+01 102.394 0.8742 
1 1 1 7  9  23 o 11 3.18558e+02 5.11738e+01 2.18899e+02 301.608 7.18136e+00  -1.16695e+01 0.00000e+00 0.00000e+00 2.21944e+02 301.608 3.04546e+00 301.608 0.9628 
1 1 1 7  9  24 o 3  9.67399e+01 3.31094e+01 5.39147e+01 78.192  2.76445e-01  1.32239e+00  0.00000e+00 0.00000e+00 2.44704e+01 78.192  2.94443e+01 258.192 0.5571 
1 1 1 7  9  25 o 19 1.71919e+02 4.08954e+01 1.15789e+02 62.320  2.83425e+00  5.40309e+00  0.00000e+00 0.00000e+00 1.15580e+02 62.320  2.09669e-01 242.320 0.9139 
1 1 1 7  9  26 o 7  8.94501e+01 3.15868e+01 7.48454e+01 204.759 -2.24862e+00 -1.03705e+00 0.00000e+00 0.00000e+00 2.68780e+01 204.759 4.79674e+01 24.759  0.7624 
1 1 1 7  9  27 o 3  7.49852e+01 2.89489e+01 3.51052e+01 255.835 -2.90469e-01 -1.15086e+00 0.00000e+00 0.00000e+00 2.25615e+01 255.835 1.25437e+01 75.835  0.5087 
1 1 1 7  9  28 o 8  5.67341e+01 2.61361e+01 3.39953e+01 51.893  5.82394e-01  7.42577e-01  0.00000e+00 0.00000e+00 3.05911e+00 51.893  3.09362e+01 231.893 0.4261 
1 1 1 7  9  29 o 12 8.54850e+01 2.75237e+01 3.33466e+01 156.182 -1.61493e+00 7.12867e-01  0.00000e+00 0.00000e+00 5.37504e+01 156.182 2.04038e+01 156.182 0.6552 
1 1 1 7  9  30 o 18 7.22896e+01 2.80187e+01 6.17932e+01 7.543   3.19627e+00  4.23220e-01  0.00000e+00 0.00000e+00 3.23685e+01 7.543   2.94247e+01 187.543 0.8253 
1 1 1 7  9  31 o 11 6.41619e+01 2.86327e+01 2.60856e+01 343.875 1.33248e+00  -3.85227e-01 0.00000e+00 0.00000e+00 3.22180e+01 343.875 6.13239e+00 343.875 0.5669 
1 1 1 7  9  32 o 4  7.05781e+01 2.91916e+01 5.19484e+00 241.283 -1.49202e-01 -2.72326e-01 0.00000e+00 0.00000e+00 1.24381e+01 241.283 7.24323e+00 241.283 0.1534 
1 1 1 7  9  33 o 8  6.91957e+01 2.94665e+01 4.42212e+00 175.681 -2.68228e-01 2.02579e-02  0.00000e+00 0.00000e+00 1.08460e+01 175.681 6.42383e+00 175.681 0.1333 
1 1 1 7  9  34 o 16 5.88688e+01 2.81803e+01 1.92393e+01 168.542 -1.13481e+00 2.30016e-01  0.00000e+00 0.00000e+00 3.02705e+01 168.542 1.10312e+01 168.542 0.4995 
1 1 1 7  9  35 o 8  6.42071e+01 2.91435e+01 1.50372e+01 140.833 -7.78764e-01 6.34398e-01  0.00000e+00 0.00000e+00 3.42369e+01 140.833 1.91997e+01 140.833 0.4480 
1 1 1 7  9  36 o 8  4.37840e+01 2.19021e+01 1.45743e+01 310.749 7.27988e-01  -8.44907e-01 0.00000e+00 0.00000e+00 2.25186e+01 310.749 7.94428e+00 310.749 0.4857 
1 1 1 7  10 0  o 3  1.48819e+02 1.45393e+01 7.23331e+01 270.000 -2.88531e-17 -4.71207e-01 0.00000e+00 0.00000e+00 1.07140e+01 270.000 6.16190e+01 90.000  0.4392 
1 1 1 7  10 1  o 2  5.12594e+02 1.55544e+01 3.05277e+02 181.496 -1.35531e+01 -3.53875e-01 0.00000e+00 0.00000e+00 3.21712e+02 181.496 1.64353e+01 181.496 0.9624 
1 1 1 7  10 2  f 0  2.00108e+02 1.15845e+01 1.14823e+02 308.515 1.23637e+00  -1.55349e+00 0.00000e+00 0.00000e+00 6.21662e+01 308.515 5.26564e+01 128.515 0.6954 
1 1 1 7  10 3  o 14 1.09024e+03 2.73456e+01 6.43016e+02 322.861 4.60789e+01  -3.48985e+01 0.00000e+00 0.00000e+00 7.33398e+02 322.861 9.03812e+01 322.861 0.9913 
1 1 1 7  10 4  o 19 3.11923e+02 1.56680e+01 2.74243e+02 350.719 7.01303e+00  -1.14606e+00 0.00000e+00 0.00000e+00 9.45369e+01 350.719 1.79706e+02 170.719 0.9267 
1 1 1 7  10 5  o 3  1.80601e+02 1.17660e+01 4.21983e+01 102.915 -1.43891e-01 6.27527e-01  0.00000e+00 0.00000e+00 2.85373e+01 102.915 1.36610e+01 282.915 0.3063 
1 1 1 7  10 6  o 19 7.93593e+01 1.41965e+01 7.50524e+01 252.262 -1.99871e-01 -6.24840e-01 0.00000e+00 0.00000e+00 4.33499e+01 72.262  1.18402e+02 72.262  0.3115 
1 1 1 7  10 7  o 11 5.09531e+02 1.57172e+01 1.69986e+02 41.528  6.89448e+00  6.10578e+00  0.00000e+00 0.00000e+00 4.48821e+02 41.528  2.78835e+02 41.528  0.9440 
1 1 1 7  10 8  o 5  9.55991e+01 1.13671e+01 4.36038e+01 31.316  3.47020e-01  2.11123e-01  0.00000e+00 0.00000e+00 1.90346e+01 211.316 6.26384e+01 211.316 0.1990 
1 1 1 7  10 9  o 19 2.05494e+02 1.04680e+01 7.72762e+01 113.017 -7.52399e-01 1.77106e+00  0.00000e+00 0.00000e+00 1.05260e+02 113.017 2.79835e+01 113.017 0.6849 
1 1 1 7  10 10 f 0  1.58038e+02 1.10686e+01 1.04168e+02 158.271 -2.15339e+00 8.58216e-01  0.00000e+00 0.00000e+00 4.89850e+01 158.271 5.51830e+01 338.271 0.7437 
1 1 1 7  10 11 o 19 3.96364e+02 1.24236e+01 1.80235e+02 133.474 -7.51740e+00 7.92898e+00  0.00000e+00 0.00000e+00 3.14649e+02 133.474 1.34414e+02 133.474 0.9531 
1 1 1 7  10 12 o 16 2.83152e+02 1.17351e+01 2.64486e+02 354.348 9.07375e+00  -8.98036e-01 0.00000e+00 0.00000e+00 8.75140e+01 354.348 1.76972e+02 174.348 0.9435 
1 1 1 7  10 13 o 7  1.48275e+02 1.29859e+01 2.30075e+02 351.233 5.01756e+00  -7.73756e-01 0.00000e+00 0.00000e+00 5.40817e+01 171.233 2.84156e+02 171.233 0.8951 
1 1 1 7  10 14 o 16 3.18177e+01 1.47810e+01 7.16826e+01 198.510 -3.80002e-01 -1.27220e-01 0.00000e+00 0.00000e+00 6.33379e+01 18.510  1.35021e+02 18.510  0.1964 
1 1 1 7  10 15 o 3  1.02852e+02 1.85505e+01 8.28420e+01 101.790 -3.21326e-01 1.53948e+00  0.00000e+00 0.00000e+00 2.02916e+00 101.790 8.08128e+01 281.790 0.6136 
1 1 1 7  10 16 o 9  1.72785e+02 3.61431e+01 1.47082e+02 235.061 -2.50427e+00 -3.58466e+00 0.00000e+00 0.00000e+00 5.81797e+01 235.061 8.89025e+01 55.062  0.8765 
1 1 1 7  10 17 o 17 1.49799e+02 2.30155e+01 6.63536e+01 261.003 -3.33356e-01 -2.10554e+00 0.00000e+00 0.00000e+00 8.07000e+01 261.003 1.43464e+01 261.003 0.7183 
1 1 1 7  10 18 o 8  2.73523e+02 3.66454e+01 2.40756e+02 48.775  7.60243e+00  8.67640e+00  0.00000e+00 0.00000e+00 1.19651e+02 48.775  1.21105e+02 228.775 0.9556 
1 1 1 7  10 19 o 9  1.52978e+02 4.88417e+01 1.02660e+02 339.855 1.89304e+00  -6.94451e-01 0.00000e+00 0.00000e+00 4.64719e+01 339.855 5.61883e+01 159.855 0.7004 
1 1 1 7  10 20 o 2  1.13608e+02 2.49371e+01 3.24967e+01 278.216 1.04391e-01  -7.23024e-01 0.00000e+00 0.00000e+00 2.22535e+01 278.216 1.02432e+01 98.216  0.3429 
1 1 1 7  10 22 o 17 1.92760e+02 4.45065e+01 1.51981e+02 231.720 -3.26821e+00 -4.14129e+00 0.00000e+00 0.00000e+00 9.69091e+01 231.720 5.50716e+01 51.720  0.8994 
1 1 1 7  10 23 o 3  1.76734e+02 2.34169e+01 3.85599e+01 75.643  5.33098e-01  2.08272e+00  0.00000e+00 0.00000e+00 1.46438e+02 75.643  1.07878e+02 75.643  0.7209 
1 1 1 7  10 24 o 8  1.85856e+02 2.55547e+01 1.01015e+02 325.855 4.90709e+00  -3.32798e+00 0.00000e+00 0.00000e+00 1.47827e+02 325.855 4.68123e+01 325.855 0.9112 
1 1 1 7  10 25 o 13 1.64712e+02 2.52432e+01 6.72501e+01 325.414 3.87278e+00  -2.67030e+00 0.00000e+00 0.00000e+00 1.49848e+02 325.414 8.25982e+01 325.414 0.8860 
1 1 1 7  10 26 o 1  1.19846e+02 2.99027e+01 7.08048e+01 70.672  1.03685e+00  2.95613e+00  0.00000e+00 0.00000e+00 7.71563e+01 70.672  6.35149e+00 70.672  0.8193 
1 1 1 7  10 27 o 4  6.36555e+01 2.83239e+01 1.62013e+01 103.277 -1.18282e-01 5.01274e-01  0.00000e+00 0.00000e+00 8.03683e+00 103.277 8.16450e+00 283.277 0.2493 
1 1 1 7  10 28 o 19 1.60009e+02 2.36667e+01 1.40228e+02 206.987 -1.07009e+01 -5.44935e+00 0.00000e+00 0.00000e+00 9.69834e+01 206.987 4.32449e+01 26.987  0.9574 
1 1 1 7  10 29 o 5  7.12538e+01 2.72374e+01 1.83582e+01 231.358 -5.28855e-01 -6.61502e-01 0.00000e+00 0.00000e+00 2.52419e+01 231.358 6.88374e+00 231.358 0.3895 
1 1 1 7  10 30 o 13 1.69769e+02 2.71716e+01 1.19253e+02 22.612  1.45781e+01  6.07180e+00  0.00000e+00 0.00000e+00 1.42711e+02 22.612  2.34578e+01 22.612  0.9678 
1 1 1 7  10 31 o 3  5.44178e+01 2.47957e+01 2.03143e+01 2.859   1.11625e+00  5.57424e-02  0.00000e+00 0.00000e+00 2.25524e+01 2.859   2.23812e+00 2.859   0.4865 
1 1 1 7  10 32 o 5  5.92049e+01 2.67961e+01 5.37103e+01 201.872 -2.81422e+00 -1.12970e+00 0.00000e+00 0.00000e+00 2.54089e+01 201.872 2.83014e+01 21.872  0.8124 
1 1 1 7  10 33 o 19 6.55940e+01 2.88679e+01 2.88222e+01 327.626 1.52208e+00  -9.64986e-01 0.00000e+00 0.00000e+00 4.38424e+01 327.626 1.50202e+01 327.626 0.6625 
1 1 1 7  10 34 o 3  6.53546e+01 3.01791e+01 2.49706e+01 120.660 -7.95030e-01 1.34114e+00  0.00000e+00 0.00000e+00 4.28756e+01 120.660 1.79050e+01 120.660 0.6104 
1 1 1 7  10 35 o 2  6.76351e+01 3.18171e+01 4.34620e+01 179.414 -2.79884e+00 2.86197e-02  0.00000e+00 0.00000e+00 4.94679e+01 179.414 6.00595e+00 179.414 0.7940 
1 1 1 7  10 36 o 16 6.78734e+01 3.05736e+01 2.66693e+01 352.827 1.88273e+00  -2.36928e-01 0.00000e+00 0.00000e+00 5.46721e+01 352.827 2.80028e+01 352.827 0.6802 
1 1 1 7  11 0  o 14 2.60796e+02 1.49370e+01 1.60116e+02 90.000  -1.55532e-07 1.77908e+00  0.00000e+00 0.00000e+00 1.56432e+02 90.000  3.68399e+00 270.000 0.9446 
1 1 1 7  11 1  f 0  6.99028e+01 1.46540e+01 1.52593e+02 140.698 -6.97541e-01 5.70966e-01  0.00000e+00 0.00000e+00 1.15723e+02 320.698 2.68315e+02 320.698 0.4104 
1 1 1 7  11 2  o 8  2.35530e+02 1.18953e+01 2.29250e+02 228.238 -3.02740e+00 -3.39044e+00 0.00000e+00 0.00000e+00 3.78487e+01 228.238 1.91402e+02 48.238  0.8816 
1 1 1 7  11 3  o 2  4.04132e+02 1.39239e+01 1.88266e+02 266.891 -3.41920e-01 -6.29545e+00 0.00000e+00 0.00000e+00 2.88932e+02 266.891 1.00666e+02 266.891 0.9168 
1 1 1 7  11 4  o 18 7.22931e+01 1.84113e+01 1.24852e+02 277.528 1.28279e-01  -9.70684e-01 0.00000e+00 0.00000e+00 8.39114e+01 97.528  2.08763e+02 97.528  0.4389 
1 1 1 7  11 5  o 13 1.26186e+02 1.24255e+01 2.26879e+01 194.208 -2.98323e-01 -7.55328e-02 0.00000e+00 0.00000e+00 2.12628e+00 194.208 2.05616e+01 14.208  0.1521 
1 1 1 7  11 6  o 3  4.48730e+02 1.46788e+01 2.45476e+02 330.759 9.44463e+00  -5.28735e+00 0.00000e+00 0.00000e+00 3.08819e+02 330.759 6.33430e+01 330.759 0.9526 
1 1 1 7  11 7  o 19 2.32162e+02 1.22538e+01 5.12091e+01 159.199 -1.06447e+00 4.04366e-01  0.00000e+00 0.00000e+00 9.78050e+01 159.199 4.65959e+01 159.199 0.4934 
1 1 1 7  11 8  o 11 2.42975e+02 1.07097e+01 9.10892e+01 189.193 -2.61882e+00 -4.23814e-01 0.00000e+00 0.00000e+00 1.56608e+02 189.193 6.55184e+01 189.193 0.7807 
1 1 1 7  11 9  o 11 2.49672e+02 1.08417e+01 1.45331e+02 358.700 5.08174e+00  -1.15316e-01 0.00000e+00 0.00000e+00 1.47818e+02 358.700 2.48731e+00 358.700 0.8953 
1 1 1 7  11 10 o 19 4.08983e+02 1.25278e+01 2.51282e+02 7.491   1.55614e+01  2.04625e+00  0.00000e+00 0.00000e+00 2.70207e+02 7.491   1.89252e+01 7.491   0.9676 
1 1 1 7  11 11 o 15 3.79996e+02 1.23024e+01 3.18084e+02 166.765 -1.43501e+01 3.37502e+00  0.00000e+00 0.00000e+00 1.67940e+02 166.765 1.50143e+02 346.765 0.9655 
1 1 1 7  11 12 o 9  3.02304e+02 1.18818e+01 9.36657e+01 71.996  1.31428e+00  4.04393e+00  0.00000e+00 0.00000e+00 2.57815e+02 71.996  1.64150e+02 71.996  0.8726 
1 1 1 7  11 13 o 13 2.94755e+02 1.23908e+01 2.10401e+02 1.305   1.10803e+01  2.52426e-01  0.00000e+00 0.00000e+00 1.66564e+02 1.305   4.38369e+01 181.305 0.9538 
1 1 1 7  11 14 o 1  1.40384e+02 2.72089e+01 4.82799e+01 224.376 -8.61602e-01 -8.43035e-01 0.00000e+00 0.00000e+00 4.92255e+01 224.376 9.45600e-01 224.376 0.5145 
1 1 1 7  11 15 o 2  1.64956e+02 1.44668e+01 1.06261e+02 153.351 -2.93649e+00 1.47364e+00  0.00000e+00 0.00000e+00 7.97281e+01 153.351 2.65327e+01 333.351 0.8291 
1 1 1 7  11 16 o 15 1.68591e+02 1.55329e+01 7.98904e+01 230.915 -1.93208e+00 -2.37869e+00 0.00000e+00 0.00000e+00 1.08357e+02 230.915 2.84669e+01 230.915 0.8146 
1 1 1 7  11 17 o 10 2.42183e+02 1.96958e+01 1.40841e+02 1.301   6.86962e+00  1.56039e-01  0.00000e+00 0.00000e+00 1.68466e+02 1.301   2.76250e+01 1.301   0.9241 
1 1 1 7  11 18 o 16 1.15621e+02 4.48847e+01 1.87810e+02 35.049  2.39790e+00  1.68208e+00  0.00000e+00 0.00000e+00 5.80942e+01 215.049 2.45904e+02 215.049 0.8046 
1 1 1 7  11 19 o 1  2.57218e+02 4.14565e+01 1.19290e+02 199.321 -4.22409e+00 -1.48101e+00 0.00000e+00 0.00000e+00 1.99149e+02 199.321 7.98588e+01 199.321 0.8796 
1 1 1 7  11 20 o 3  5.16228e+01 2.29014e+01 1.02022e+02 221.169 -7.22676e-01 -6.31961e-01 0.00000e+00 0.00000e+00 7.03216e+01 41.169  1.72344e+02 41.169  0.4320 
1 1 1 7  11 21 o 11 2.20695e+02 2.56784e+01 9.29609e+01 349.653 4.47073e+00  -8.16222e-01 0.00000e+00 0.00000e+00 1.86465e+02 349.653 9.35042e+01 349.653 0.8816 
1 1 1 7  11 22 o 3  1.47574e+02 5.64822e+01 1.51542e+02 12.054  3.98023e+00  8.49941e-01  0.00000e+00 0.00000e+00 3.40273e+01 12.054  1.17514e+02 192.054 0.8662 
1 1 1 7  11 23 o 16 2.56747e+02 5.93219e+01 2.69738e+02 141.362 -9.63357e+00 7.70076e+00  0.00000e+00 0.00000e+00 9.16309e+01 141.362 1.78107e+02 321.362 0.9586 
1 1 1 7  11 24 o 17 1.61469e+02 2.61758e+01 1.18754e+02 104.648 -1.55909e+00 5.96492e+00  0.00000e+00 0.00000e+00 1.00737e+02 104.648 1.80171e+01 284.648 0.9149 
1 1 1 7  11 25 o 11 6.34997e+01 2.80617e+01 9.55338e+01 313.910 1.66518e+00  -1.72979e+00 0.00000e+00 0.00000e+00 2.35288e+01 133.910 1.19063e+02 133.910 0.7538 
1 1 1 7  11 26 o 16 1.87768e+02 2.16003e+01 9.16630e+01 333.473 8.02951e+00  -4.00813e+00 0.00000e+00 0.00000e+00 1.78011e+02 333.473 8.63480e+01 333.473 0.9425 
1 1 1 7  11 27 o 18 8.87384e+01 3.58108e+01 3.20475e+01 46.443  8.44009e-01  8.87621e-01  0.00000e+00 0.00000e+00 3.92682e+01 46.443  7.22071e+00 46.443  0.5204 
1 1 1 7  11 28 o 10 6.91086e+01 2.70671e+01 3.01122e+01 214.631 -1.00933e+00 -6.97110e-01 0.00000e+00 0.00000e+00 2.62638e+01 214.631 3.84830e+00 34.631  0.5210 
1 1 1 7  11 29 o 11 4.43094e+01 2.11350e+01 9.11423e+00 312.749 2.21504e-01  -2.39629e-01 0.00000e+00 0.00000e+00 2.21999e+00 312.749 6.89425e+00 132.749 0.1610 
1 1 1 7  11 30 o 17 6.53814e+01 2.78424e+01 7.86725e+00 284.277 9.97788e-02  -3.92112e-01 0.00000e+00 0.00000e+00 1.30343e+01 284.277 5.16705e+00 284.277 0.1983 
1 1 1 7  11 31 o 10 4.45845e+01 2.17315e+01 9.69643e+00 238.661 -2.49204e-01 -4.09243e-01 0.00000e+00 0.00000e+00 7.30903e+00 238.661 2.38740e+00 58.661  0.2330 
1 1 1 7  11 32 o 19 6.09160e+01 2.86838e+01 3.61392e+01 116.491 -8.72345e-01 1.75035e+00  0.00000e+00 0.00000e+00 3.38203e+01 116.491 2.31890e+00 296.491 0.6904 
1 1 1 7  11 33 o 18 6.47889e+01 2.84380e+01 1.88435e+01 115.773 -5.39300e-01 1.11693e+00  0.00000e+00 0.00000e+00 3.86862e+01 115.773 1.98426e+01 115.773 0.5251 
1 1 1 7  11 34 o 17 5.24078e+01 2.50742e+01 2.01440e+01 247.779 -5.24029e-01 -1.28276e+00 0.00000e+00 0.00000e+00 3.09238e+01 247.779 1.07798e+01 247.779 0.5666 
1 1 1 7  11 35 o 2  5.27929e+01 2.63493e+01 2.98243e+01 340.109 1.91536e+00  -6.93007e-01 0.00000e+00 0.00000e+00 3.51944e+01 340.109 5.37015e+00 340.109 0.7037 
1 1 1 7  11 36 o 3  5.41059e+01 2.59563e+01 9.73809e+00 64.886  3.06401e-01  6.53684e-01  0.00000e+00 0.00000e+00 2.29724e+01 64.886  1.32343e+01 64.886  0.3393 
1 1 1 7  12 0  o 17 5.03376e+02 1.90503e+01 2.35319e+02 270.000 5.56538e-07  -6.36605e+00 0.00000e+00 0.00000e+00 4.19478e+02 270.000 1.84159e+02 270.000 1.0000 
1 1 1 7  12 1  o 9  3.89189e+02 1.18437e+01 1.82237e+02 345.134 7.37170e+00  -1.95683e+00 0.00000e+00 0.00000e+00 2.89686e+02 345.134 1.07448e+02 345.134 0.9319 
1 1 1 7  12 2  o 6  3.64534e+02 1.33565e+01 1.85560e+02 359.487 7.20262e+00  -6.45324e-02 0.00000e+00 0.00000e+00 2.54809e+02 359.487 6.92490e+01 359.487 0.9277 
1 1 1 7  12 3  o 2  4.83285e+02 1.52086e+01 2.37955e+02 223.991 -8.17546e+00 -7.89247e+00 0.00000e+00 0.00000e+00 3.63742e+02 223.991 1.25787e+02 223.991 0.9549 
1 1 1 7  12 4  o 2  5.34167e+02 1.61518e+01 3.22414e+02 110.724 -5.91451e+00 1.56325e+01  0.00000e+00 0.00000e+00 3.54047e+02 110.724 3.16337e+01 110.724 0.9696 
1 1 1 7  12 5  o 12 5.35107e+02 1.99784e+01 2.77426e+02 319.711 1.37073e+01  -1.16201e+01 0.00000e+00 0.00000e+00 4.03275e+02 319.711 1.25850e+02 319.711 0.9718 
1 1 1 7  12 6  o 12 4.97952e+02 1.55848e+01 3.48178e+02 282.612 4.53126e+00  -2.02511e+01 0.00000e+00 0.00000e+00 2.89527e+02 282.612 5.86510e+01 102.612 0.9756 
1 1 1 7  12 7  o 5  2.02912e+02 1.25323e+01 1.65153e+02 91.431  -1.18744e-01 4.75445e+00  0.00000e+00 0.00000e+00 7.19896e+01 91.431  9.31631e+01 271.431 0.8874 
1 1 1 7  12 8  o 6  2.57114e+02 1.27620e+01 3.40273e+01 358.311 1.36688e+00  -4.03066e-02 0.00000e+00 0.00000e+00 1.56869e+02 358.311 1.22842e+02 358.311 0.5616 
1 1 1 7  12 9  o 1  1.28273e+02 1.18624e+01 2.00070e+02 258.449 -7.79269e-01 -3.81277e+00 0.00000e+00 0.00000e+00 5.37416e+01 78.449  2.53812e+02 78.449  0.8592 
1 1 1 7  12 10 o 16 3.25943e+02 1.18097e+01 1.77472e+02 80.380  1.17490e+00  6.93175e+00  0.00000e+00 0.00000e+00 2.25117e+02 80.380  4.76454e+01 80.380  0.9259 
1 1 1 7  12 11 o 9  3.22649e+02 1.19536e+01 2.28749e+02 340.529 1.04425e+01  -3.69196e+00 0.00000e+00 0.00000e+00 1.83941e+02 340.529 4.48080e+01 160.529 0.9537 
1 1 1 7  12 12 o 16 2.22042e+02 1.21681e+01 9.23632e+01 329.717 3.17663e+00  -1.85499e+00 0.00000e+00 0.00000e+00 1.62201e+02 329.717 6.98379e+01 329.717 0.8499 
1 1 1 7  12 13 o 2  2.21760e+02 2.58359e+01 2.13234e+02 138.022 -6.34118e+00 5.70531e+00  0.00000e+00 0.00000e+00 6.95570e+01 138.022 1.43677e+02 318.022 0.9394 
1 1 1 7  12 14 f 0  3.54448e+02 1.30674e+01 1.67710e+02 312.422 7.62042e+00  -8.33907e+00 0.00000e+00 0.00000e+00 2.94758e+02 312.422 1.27048e+02 312.422 0.9547 
1 1 1 7  12 15 o 5  2.31264e+02 1.57277e+01 5.13211e+01 224.947 -1.93045e+00 -1.92689e+00 0.00000e+00 0.00000e+00 1.99459e+02 224.947 1.48138e+02 224.947 0.7876 
1 1 1 7  12 16 o 4  6.40443e+01 2.27400e+01 3.47862e+01 97.519  -5.88304e-02 4.45742e-01  0.00000e+00 0.00000e+00 1.52972e+01 277.519 5.00834e+01 277.519 0.2193 
1 1 1 7  12 18 o 10 1.19053e+02 2.21883e+01 6.92500e+01 260.531 -2.29964e-01 -1.37880e+00 0.00000e+00 0.00000e+00 2.65134e+01 260.531 4.27367e+01 80.531  0.5698 
1 1 1 7  12 19 o 12 1.62622e+02 2.01968e+01 9.13271e+01 198.894 -2.64534e+00 -9.05388e-01 0.00000e+00 0.00000e+00 9.25743e+01 198.894 1.24724e+00 198.894 0.7937 
1 1 1 7  12 20 o 9  3.42724e+02 1.75580e+01 1.47302e+02 126.110 -5.88565e+00 8.06830e+00  0.00000e+00 0.00000e+00 3.20454e+02 126.110 1.73152e+02 126.110 0.9485 
1 1 1 7  12 21 o 13 2.35865e+02 3.94835e+01 1.18761e+02 264.725 -5.56616e-01 -6.02925e+00 0.00000e+00 0.00000e+00 1.94385e+02 264.725 7.56247e+01 264.725 0.9132 
1 1 1 7  12 22 o 5  1.31976e+02 3.77643e+01 8.51209e+01 315.638 2.11183e+00  -2.06531e+00 0.00000e+00 0.00000e+00 7.13137e+01 315.638 1.38072e+01 135.638 0.8065 
1 1 1 7  12 23 o 13 2.18196e+02 6.36329e+01 2.22122e+02 37.449  6.78005e+00  5.19302e+00  0.00000e+00 0.00000e+00 8.25908e+01 37.449  1.39531e+02 217.449 0.9395 
1 1 1 7  12 24 o 5  1.47771e+02 2.84390e+01 9.75603e+01 47.647  3.93017e+00  4.31115e+00  0.00000e+00 0.00000e+00 1.04641e+02 47.647  7.08087e+00 47.647  0.9097 
1 1 1 7  12 25 o 3  1.58807e+02 2.68309e+01 8.89137e+01 218.266 -4.32853e+00 -3.41434e+00 0.00000e+00 0.00000e+00 1.29728e+02 218.266 4.08146e+01 218.266 0.9041 
1 1 1 7  12 26 o 9  1.40925e+02 2.63862e+01 4.79622e+01 346.703 3.44357e+00  -8.13806e-01 0.00000e+00 0.00000e+00 1.35316e+02 346.703 8.73537e+01 346.703 0.8431 
1 1 1 7  12 27 o 12 8.10163e+01 3.17979e+01 6.69109e+01 223.489 -1.78229e+00 -1.69067e+00 0.00000e+00 0.00000e+00 2.93726e+01 223.489 3.75382e+01 43.489  0.7602 
1 1 1 7  12 28 o 17 6.44610e+01 2.65884e+01 1.96890e+01 227.461 -5.43576e-01 -5.92402e-01 0.00000e+00 0.00000e+00 1.83911e+01 227.461 1.29796e+00 47.461  0.3727 
1 1 1 7  12 29 o 14 9.87365e+01 3.05535e+01 8.78242e+01 59.729  2.89540e+00  4.96075e+00  0.00000e+00 0.00000e+00 5.63791e+01 59.729  3.14451e+01 239.729 0.9082 
1 1 1 7  12 30 o 13 6.70335e+01 2.96763e+01 4.50717e+01 162.120 -2.27718e+00 7.34612e-01  0.00000e+00 0.00000e+00 3.72964e+01 162.120 7.77528e+00 342.120 0.7528 
1 1 1 7  12 31 o 14 8.57246e+01 3.12268e+01 3.96772e+01 278.269 3.88504e-01  -2.67307e+00 0.00000e+00 0.00000e+00 7.18955e+01 278.269 3.22183e+01 278.269 0.7852 
1 1 1 7  12 32 o 3  4.19448e+01 2.06840e+01 1.88375e+01 331.928 9.86028e-01  -5.25874e-01 0.00000e+00 0.00000e+00 1.55265e+01 331.928 3.31101e+00 151.928 0.4865 
1 1 1 7  12 33 o 6  8.34849e+01 3.24517e+01 5.06705e+01 130.696 -2.28540e+00 2.65738e+00  0.00000e+00 0.00000e+00 6.95763e+01 130.696 1.89057e+01 130.696 0.8414 
1 1 1 7  12 34 o 15 6.97971e+01 3.07786e+01 1.63127e+01 274.083 8.13775e-02  -1.13999e+00 0.00000e+00 0.00000e+00 4.38090e+01 274.083 2.74963e+01 274.083 0.4947 
1 1 1 7  12 35 o 7  5.53521e+01 2.74526e+01 4.19175e+01 328.481 2.41453e+00  -1.48074e+00 0.00000e+00 0.00000e+00 3.62191e+01 328.481 5.69842e+00 148.481 0.7968 
1 1 1 7  13 0  o 14 4.05371e+01 2.11970e+01 8.89483e+01 90.000  -1.92986e-08 2.20751e-01  0.00000e+00 0.00000e+00 7.73396e+01 270.000 1.66288e+02 270.000 0.2172 
1 1 1 7  13 1  o 8  3.21382e+02 1.11196e+01 1.42589e+02 104.093 -1.37451e+00 5.47502e+00  0.00000e+00 0.00000e+00 2.41549e+02 104.093 9.89595e+01 104.093 0.9065 
1 1 1 7  13 2  o 16 3.18284e+02 1.28881e+01 1.99695e+02 320.067 5.94431e+00  -4.97597e+00 0.00000e+00 0.00000e+00 1.92205e+02 320.067 7.48940e+00 140.067 0.9331 
1 1 1 7  13 3  o 9  3.73441e+02 1.36163e+01 1.94394e+02 203.807 -8.00231e+00 -3.53054e+00 0.00000e+00 0.00000e+00 2.69895e+02 203.807 7.55014e+01 203.807 0.9410 
1 1 1 7  13 4  o 15 9.08575e+01 1.49307e+01 7.75193e+01 157.692 -9.32466e-01 3.82580e-01  0.00000e+00 0.00000e+00 2.35010e+01 337.692 1.01020e+02 337.692 0.4492 
1 1 1 7  13 5  o 8  5.36014e+01 1.97924e+01 1.62555e+02 351.522 1.19208e+00  -1.77685e-01 0.00000e+00 0.00000e+00 1.25977e+02 171.522 2.88533e+02 171.522 0.5144 
1 1 1 7  13 6  o 13 5.95584e+02 1.74941e+01 3.40175e+02 223.802 -2.26158e+01 -2.16894e+01 0.00000e+00 0.00000e+00 4.39381e+02 223.802 9.92062e+01 223.802 0.9839 
1 1 1 7  13 7  f 0  6.56421e+01 1.81389e+01 4.94196e+01 302.629 2.63340e-01  -4.11314e-01 0.00000e+00 0.00000e+00 2.86391e+01 122.629 7.80587e+01 122.629 0.2372 
1 1 1 7  13 8  o 17 2.96709e+02 1.34007e+01 2.24337e+02 341.040 7.77130e+00  -2.66980e+00 0.00000e+00 0.00000e+00 1.48134e+02 341.040 7.62033e+01 161.040 0.9370 
1 1 1 7  13 9  o 4  7.87033e+01 1.49392e+01 1.53253e+02 172.912 -1.82660e+00 2.27123e-01  0.00000e+00 0.00000e+00 8.23260e+01 352.912 2.35579e+02 352.912 0.6698 
1 1 1 7  13 10 o 7  2.42243e+02 1.15147e+01 1.33596e+02 217.639 -4.87747e+00 -3.76144e+00 0.00000e+00 0.00000e+00 1.65988e+02 217.639 3.23916e+01 217.639 0.9148 
1 1 1 7  13 11 o 13 8.94683e+01 1.63633e+01 1.13830e+02 5.501   1.78639e+00  1.72035e-01  0.00000e+00 0.00000e+00 3.34535e+01 185.501 1.47283e+02 185.501 0.6610 
1 1 1 7  13 12 o 2  3.89931e+02 1.30190e+01 1.83027e+02 71.351  4.38484e+00  1.29923e+01  0.00000e+00 0.00000e+00 3.30198e+02 71.351  1.47170e+02 71.351  0.9628 
1 1 1 7  13 13 o 1  4.03505e+02 1.93654e+01 2.59862e+02 242.224 -9.07340e+00 -1.72268e+01 0.00000e+00 0.00000e+00 2.80779e+02 242.224 2.09163e+01 242.224 0.9740 
1 1 1 7  13 14 o 18 9.08129e+01 1.98541e+01 6.13782e+01 342.740 1.20217e+00  -3.73524e-01 0.00000e+00 0.00000e+00 5.36627e+00 342.740 5.60119e+01 162.740 0.5306 
1 1 1 7  13 15 o 17 4.09343e+02 1.62142e+01 1.62868e+02 115.586 -6.07512e+00 1.26875e+01  0.00000e+00 0.00000e+00 3.87572e+02 115.586 2.24704e+02 115.586 0.9638 
1 1 1 7  13 16 o 9  2.49730e+02 3.34050e+01 1.77536e+02 344.773 8.23511e+00  -2.24162e+00 0.00000e+00 0.00000e+00 1.52367e+02 344.773 2.51691e+01 164.773 0.9394 
1 1 1 7  13 17 o 6  1.54542e+02 1.86438e+01 5.45497e+01 13.862  1.42943e+00  3.52749e-01  0.00000e+00 0.00000e+00 7.45653e+01 13.862  2.00156e+01 13.862  0.5892 
1 1 1 7  13 18 o 10 2.13982e+02 4.37964e+01 1.57745e+02 229.057 -3.73105e+00 -4.30078e+00 0.00000e+00 0.00000e+00 1.19987e+02 229.057 3.77578e+01 49.057  0.9073 
1 1 1 7  13 19 o 7  1.41524e+02 2.09599e+01 3.93240e+01 267.276 -5.12260e-02 -1.07660e+00 0.00000e+00 0.00000e+00 5.73908e+01 267.276 1.80668e+01 267.276 0.4733 
1 1 1 7  13 20 f 0  2.08695e+02 1.83088e+01 7.58235e+01 358.136 3.68600e+00  -1.19978e-01 0.00000e+00 0.00000e+00 1.82952e+02 358.136 1.07128e+02 358.136 0.8504 
1 1 1 7  13 21 o 11 1.06029e+02 4.79856e+01 1.73789e+02 104.316 -9.35326e-01 3.66528e+00  0.00000e+00 0.00000e+00 4.02838e+01 284.316 2.14073e+02 284.316 0.8546 
1 1 1 7  13 22 o 16 1.44779e+02 3.88256e+01 6.63985e+01 135.640 -1.83795e+00 1.79737e+00  0.00000e+00 0.00000e+00 1.00175e+02 135.640 3.37761e+01 135.640 0.7725 
1 1 1 7  13 23 o 12 1.46979e+02 2.76190e+01 1.51426e+02 286.622 2.47670e+00  -8.29632e+00 0.00000e+00 0.00000e+00 5.67750e+01 286.622 9.46508e+01 106.622 0.9403 
1 1 1 7  13 24 f 0  2.08790e+02 3.97641e+01 1.74586e+02 324.847 9.53707e+00  -6.71591e+00 0.00000e+00 0.00000e+00 1.29721e+02 324.847 4.48654e+01 144.847 0.9561 
1 1 1 7  13 25 o 3  1.37261e+02 3.39259e+01 7.75964e+01 25.185  3.95586e+00  1.86020e+00  0.00000e+00 0.00000e+00 1.08064e+02 25.185  3.04672e+01 25.185  0.8764 
1 1 1 7  13 26 o 8  1.47002e+02 3.39265e+01 7.16508e+01 138.289 -3.54566e+00 3.16034e+00  0.00000e+00 0.00000e+00 1.32241e+02 138.289 6.05906e+01 138.289 0.8872 
1 1 1 7  13 27 o 10 1.16450e+02 3.31168e+01 4.91687e+01 201.111 -2.69928e+00 -1.04214e+00 0.00000e+00 0.00000e+00 9.87573e+01 201.111 4.95886e+01 201.111 0.8018 
1 1 1 7  13 28 o 5  9.18422e+01 2.90773e+01 5.79141e+01 18.943  3.24370e+00  1.11331e+00  0.00000e+00 0.00000e+00 6.56261e+01 18.943  7.71205e+00 18.943  0.8373 
1 1 1 7  13 29 f 0  7.47495e+01 2.94028e+01 2.55480e+01 22.618  1.31330e+00  5.47166e-01  0.00000e+00 0.00000e+00 4.46740e+01 22.618  1.91260e+01 22.618  0.5764 
1 1 1 7  13 30 o 19 9.86215e+01 3.15301e+01 4.12326e+01 142.383 -2.42053e+00 1.86518e+00  0.00000e+00 0.00000e+00 9.15627e+01 142.383 5.03301e+01 142.383 0.8140 
1 1 1 7  13 31 o 7  5.60327e+01 2.56098e+01 5.70621e+01 110.695 -1.14617e+00 3.03398e+00  0.00000e+00 0.00000e+00 2.07281e+01 110.695 3.63340e+01 290.695 0.8265 
1 1 1 7  13 32 o 8  5.84600e+01 2.66346e+01 1.48848e+01 278.135 1.38487e-01  -9.68777e-01 0.00000e+00 0.00000e+00 2.88919e+01 278.135 1.40071e+01 278.135 0.4388 
1 1 1 7  13 33 o 11 6.03215e+01 2.76611e+01 3.82022e+01 265.675 -1.97139e-01 -2.60643e+00 0.00000e+00 0.00000e+00 4.30946e+01 265.675 4.89242e+00 265.675 0.7768 
1 1 1 7  13 34 o 12 5.49232e+01 2.61294e+01 7.35878e+00 14.929  5.02255e-01  1.33915e-01  0.00000e+00 0.00000e+00 1.70139e+01 14.929  9.65512e+00 14.929  0.2515 
1 1 1 7  13 35 o 17 4.76952e+01 2.35069e+01 2.00278e+00 159.596 -1.43541e-01 5.33942e-02  0.00000e+00 0.00000e+00 4.53543e+00 159.596 2.53265e+00 159.596 0.0764 
1 1 1 7  14 0  o 4  3.69154e+01 2.11438e+01 3.05426e+01 270.000 -4.82122e-18 -7.87364e-02 0.00000e+00 0.00000e+00 2.66634e+01 90.000  5.72060e+01 90.000  0.0786 
1 1 1 7  14 1  o 17 4.21469e+02 1.23908e+01 1.90917e+02 316.208 8.14963e+00  -7.81312e+00 0.00000e+00 0.00000e+00 3.47313e+02 316.208 1.56395e+02 316.208 0.9546 
1 1 1 7  14 2  o 8  1.29479e+02 1.31080e+01 8.55260e+00 59.225  8.95821e-02  1.50422e-01  0.00000e+00 0.00000e+00 6.56330e+00 59.225  1.98930e+00 239.225 0.0872 
1 1 1 7  14 3  o 15 3.46119e+02 1.34257e+01 2.32050e+01 10.109  1.23691e+00  2.20530e-01  0.00000e+00 0.00000e+00 2.22644e+02 10.109  1.99439e+02 10.109  0.5299 
1 1 1 7  14 4  o 12 3.73144e+02 1.38533e+01 1.47894e+02 284.456 2.12392e+00  -8.23852e+00 0.00000e+00 0.00000e+00 3.22723e+02 284.456 1.74829e+02 284.456 0.9393 
1 1 1 7  14 5  o 12 2.15194e+02 1.28828e+01 1.15480e+02 167.328 -3.05956e+00 6.87904e-01  0.00000e+00 0.00000e+00 1.21878e+02 167.328 6.39771e+00 167.328 0.8196 
1 1 1 7  14 6  o 9  2.73124e+02 1.29164e+01 2.37614e+02 57.735  4.28464e+00  6.78678e+00  0.00000e+00 0.00000e+00 1.07199e+02 57.735  1.30414e+02 237.735 0.9355 
1 1 1 7  14 7  o 15 1.10792e+02 1.50792e+01 3.47061e+01 175.597 -5.89382e-01 4.53783e-02  0.00000e+00 0.00000e+00 7.80205e+00 175.597 2.69041e+01 355.597 0.2834 
1 1 1 7  14 8  o 8  2.34300e+02 1.31074e+01 2.07380e+02 260.889 -1.47810e+00 -9.21637e+00 0.00000e+00 0.00000e+00 9.34926e+01 260.889 1.13888e+02 80.889  0.9448 
1 1 1 7  14 9  o 14 1.15674e+02 1.65932e+01 1.38746e+02 68.829  1.06901e+00  2.76019e+00  0.00000e+00 0.00000e+00 1.13291e+01 248.829 1.50075e+02 248.829 0.8070 
1 1 1 7  14 10 o 16 2.70530e+02 1.19449e+01 2.17643e+02 18.813  9.87864e+00  3.36544e+00  0.00000e+00 0.00000e+00 1.35149e+02 18.813  8.24935e+01 198.813 0.9508 
1 1 1 7  14 11 o 1  2.80381e+02 1.22509e+01 1.49904e+02 238.790 -4.29175e+00 -7.08361e+00 0.00000e+00 0.00000e+00 2.12542e+02 238.790 6.26378e+01 238.790 0.9375 
1 1 1 7  14 12 f 0  3.07999e+02 1.47002e+01 2.66337e+02 136.776 -1.20673e+01 1.13415e+01  0.00000e+00 0.00000e+00 1.47707e+02 136.776 1.18630e+02 316.776 0.9693 
1 1 1 7  14 13 o 18 5.04342e+02 1.68833e+01 3.19720e+02 316.986 2.71094e+01  -2.52926e+01 0.00000e+00 0.00000e+00 3.74590e+02 316.986 5.48698e+01 316.986 0.9864 
1 1 1 7  14 14 o 1  2.18704e+02 1.37997e+01 1.92050e+02 98.938  -1.39672e+00 8.88105e+00  0.00000e+00 0.00000e+00 9.76308e+01 98.938  9.44189e+01 278.938 0.9426 
1 1 1 7  14 15 o 5  1.68908e+02 2.93577e+01 9.18819e+01 77.426  6.76808e-01  3.03437e+00  0.00000e+00 0.00000e+00 1.03622e+02 77.426  1.17405e+01 77.426  0.8177 
1 1 1 7  14 18 o 13 2.77225e+02 1.84997e+01 1.33797e+02 172.491 -7.30287e+00 9.62556e-01  0.00000e+00 0.00000e+00 2.40124e+02 172.491 1.06327e+02 172.491 0.9294 
1 1 1 7  14 19 o 1  6.10854e+01 2.50324e+01 1.79117e+01 311.780 1.63808e-01  -1.83340e-01 0.00000e+00 0.00000e+00 6.99409e+00 131.780 2.49058e+01 131.780 0.1220 
1 1 1 7  14 20 o 7  8.40463e+01 2.82473e+01 4.90230e+01 137.351 -8.15024e-01 7.50743e-01  0.00000e+00 0.00000e+00 1.10771e+01 137.351 3.79459e+01 317.351 0.4834 
1 1 1 7  14 21 o 17 7.70561e+01 3.80180e+01 8.30773e+01 32.271  1.33535e+00  8.43228e-01  0.00000e+00 0.00000e+00 1.22287e+01 212.271 9.53059e+01 212.271 0.6151 
1 1 1 7  14 22 o 1  1.93302e+02 4.09927e+01 1.98532e+02 13.747  9.77551e+00  2.39144e+00  0.00000e+00 0.00000e+00 7.86322e+01 13.747  1.19899e+02 193.747 0.9489 
1 1 1 7  14 23 o 2  9.09504e+01 3.54743e+01 5.91539e+01 173.708 -1.89794e+00 2.09264e-01  0.00000e+00 0.00000e+00 3.56859e+01 173.708 2.34681e+01 353.708 0.6823 
1 1 1 7  14 24 o 3  9.14926e+01 3.41793e+01 6.89721e+01 213.404 -2.13811e+00 -1.41005e+00 0.00000e+00 0.00000e+00 4.01866e+01 213.404 2.87855e+01 33.404  0.7715 
1 1 1 7  14 25 o 10 6.48110e+01 2.72443e+01 5.41431e+01 308.151 1.11498e+00  -1.41938e+00 0.00000e+00 0.00000e+00 1.31339e+01 308.151 4.10092e+01 128.151 0.6630 
1 1 1 7  14 26 o 1  9.44701e+01 3.39344e+01 6.71271e+01 232.263 -1.67517e+00 -2.16454e+00 0.00000e+00 0.00000e+00 5.10100e+01 232.263 1.61171e+01 52.263  0.7885 
1 1 1 7  14 27 o 5  9.40164e+01 2.84270e+01 2.20845e+01 252.948 -3.83295e-01 -1.24965e+00 0.00000e+00 0.00000e+00 6.02281e+01 252.948 3.81436e+01 252.948 0.5447 
1 1 1 7  14 28 o 14 7.49817e+01 2.88634e+01 9.30749e+01 44.872  3.65089e+00  3.63467e+00  0.00000e+00 0.00000e+00 1.65133e+01 44.872  7.65616e+01 224.872 0.8968 
1 1 1 7  14 29 o 4  4.54669e+01 2.19589e+01 2.05047e+01 324.768 8.13612e-01  -5.74630e-01 0.00000e+00 0.00000e+00 1.29468e+01 324.768 7.55794e+00 144.768 0.4450 
1 1 1 7  14 30 o 16 5.06718e+01 2.39228e+01 3.52813e+01 294.458 7.74881e-01  -1.70361e+00 0.00000e+00 0.00000e+00 2.21599e+01 294.458 1.31214e+01 114.458 0.6755 
1 1 1 7  14 31 o 1  5.99417e+01 2.70838e+01 5.39028e+01 66.191  1.34871e+00  3.05657e+00  0.00000e+00 0.00000e+00 3.11199e+01 66.191  2.27828e+01 246.191 0.8323 
1 1 1 7  14 32 o 18 6.23481e+01 2.78873e+01 4.15504e+01 155.138 -2.41210e+00 1.11773e+00  0.00000e+00 0.00000e+00 4.27801e+01 155.138 1.22969e+00 155.138 0.7812 
1 1 1 7  14 33 o 4  6.08700e+01 2.78261e+01 1.75998e+01 275.535 1.13755e-01  -1.17379e+00 0.00000e+00 0.00000e+00 3.66443e+01 275.535 1.90445e+01 275.535 0.5063 
1 1 1 7  14 34 o 4  4.77758e+01 2.34032e+01 1.39815e+01 331.094 9.14355e-01  -5.04871e-01 0.00000e+00 0.00000e+00 2.55228e+01 331.094 1.15413e+01 331.094 0.4619 
1 1 1 7  15 0  o 5  2.43794e+02 1.54019e+01 2.44972e+02 270.000 -2.29693e-16 -3.75118e+00 0.00000e+00 0.00000e+00 8.57904e+01 270.000 1.59181e+02 90.000  0.9989 
1 1 1 7  15 1  o 12 1.25444e+02 1.15448e+01 4.80581e+01 242.854 -3.44472e-01 -6.71834e-01 0.00000e+00 0.00000e+00 1.20896e+01 242.854 3.59686e+01 62.854  0.3529 
1 1 1 7  15 2  o 7  1.94737e+02 1.27210e+01 2.22367e+02 168.673 -5.27602e+00 1.05683e+00  0.00000e+00 0.00000e+00 1.63242e+01 168.673 2.06043e+02 348.673 0.9015 
1 1 1 7  15 3  o 11 2.89974e+02 1.29534e+01 1.54919e+02 60.448  3.49082e+00  6.15685e+00  0.00000e+00 0.00000e+00 2.10769e+02 60.448  5.58500e+01 60.448  0.9264 
1 1 1 7  15 4  f 0  1.52228e+02 1.32743e+01 2.36229e+02 3.068   5.58375e+00  2.99300e-01  0.00000e+00 0.00000e+00 4.82487e+01 183.068 2.84478e+02 183.068 0.9055 
1 1 1 7  15 5  o 12 3.52127e+01 1.53898e+01 4.58777e+01 176.902 -2.45444e-01 1.32853e-02  0.00000e+00 0.00000e+00 4.00067e+01 356.902 8.58844e+01 356.902 0.1220 
1 1 1 7  15 6  o 10 2.08989e+02 1.72110e+01 7.24299e+01 309.221 1.80515e+00  -2.21168e+00 0.00000e+00 0.00000e+00 1.56339e+02 309.221 8.39094e+01 309.221 0.7987 
1 1 1 7  15 7  o 17 3.80774e+02 1.43942e+01 2.22031e+02 201.032 -1.43565e+01 -5.52007e+00 0.00000e+00 0.00000e+00 2.84260e+02 201.032 6.22288e+01 201.032 0.9669 
1 1 1 7  15 8  o 18 7.94803e+01 1.99952e+01 6.91087e+01 20.135  8.95494e-01  3.28325e-01  0.00000e+00 0.00000e+00 2.19587e+01 200.135 9.10674e+01 200.135 0.4298 
1 1 1 7  15 9  o 9  4.96599e+02 1.64595e+01 3.00672e+02 285.816 7.79722e+00  -2.75247e+01 0.00000e+00 0.00000e+00 3.75599e+02 285.816 7.49267e+01 285.816 0.9824 
1 1 1 7  15 10 o 3  1.52987e+02 1.73685e+01 4.47302e+01 206.211 -1.17252e+00 -5.77233e-01 0.00000e+00 0.00000e+00 7.13339e+01 206.211 2.66037e+01 206.211 0.5447 
1 1 1 7  15 11 o 2  3.24919e+02 1.27051e+01 1.73548e+02 42.805  8.35403e+00  7.73737e+00  0.00000e+00 0.00000e+00 2.60976e+02 42.805  8.74282e+01 42.805  0.9550 
1 1 1 7  15 12 o 5  6.37276e+02 1.90112e+01 2.64204e+02 273.505 2.32809e+00  -3.80102e+01 0.00000e+00 0.00000e+00 6.21506e+02 273.505 3.57303e+02 273.505 0.9868 
1 1 1 7  15 13 o 17 1.50591e+02 1.50702e+01 1.77861e+02 106.963 -1.64907e+00 5.40627e+00  0.00000e+00 0.00000e+00 1.56433e+01 106.963 1.62218e+02 286.963 0.9066 
1 1 1 7  15 14 o 5  6.03517e+02 1.89748e+01 2.26266e+02 138.440 -2.20652e+01 1.95632e+01  0.00000e+00 0.00000e+00 6.20249e+02 138.440 3.93983e+02 138.440 0.9829 
1 1 1 7  15 15 o 8  4.49596e+02 1.95336e+01 2.25485e+02 320.506 1.37665e+01  -1.13457e+01 0.00000e+00 0.00000e+00 4.02434e+02 320.506 1.76948e+02 320.506 0.9716 
1 1 1 7  15 16 o 12 8.99276e+01 2.44602e+01 4.67169e+01 266.689 -4.93988e-02 -8.53812e-01 0.00000e+00 0.00000e+00 4.45429e+00 266.689 4.22626e+01 86.689  0.3928 
1 1 1 7  15 17 o 9  1.39377e+02 4.16904e+01 1.46427e+02 161.716 -3.22120e+00 1.06430e+00  0.00000e+00 0.00000e+00 2.36516e+01 161.716 1.22775e+02 341.716 0.8353 
1 1 1 7  15 18 o 12 1.00315e+02 2.45779e+01 8.98607e+01 318.675 1.54010e+00  -1.35422e+00 0.00000e+00 0.00000e+00 1.45135e+01 318.675 7.53472e+01 138.675 0.7059 
1 1 1 7  15 19 o 6  5.75512e+01 2.41228e+01 3.05700e+01 76.527  1.16314e-01  4.85474e-01  0.00000e+00 0.00000e+00 9.83855e+00 256.527 4.04086e+01 256.527 0.2421 
1 1 1 7  15 20 o 13 1.46664e+02 2.36434e+01 7.15499e+01 137.474 -2.30541e+00 2.11441e+00  0.00000e+00 0.00000e+00 1.08920e+02 137.474 3.73696e+01 137.474 0.8190 
1 1 1 7  15 21 o 3  9.84996e+01 4.11245e+01 9.92442e+01 346.085 2.50247e+00  -6.19973e-01 0.00000e+00 0.00000e+00 1.63710e+01 346.085 8.28732e+01 166.085 0.7732 
1 1 1 7  15 22 o 16 1.86167e+02 2.49430e+01 1.36783e+02 308.531 6.87961e+00  -8.63936e+00 0.00000e+00 0.00000e+00 1.35640e+02 308.531 1.14346e+00 128.531 0.9536 
1 1 1 7  15 23 o 7  1.24235e+02 3.56274e+01 4.86253e+01 331.353 1.79378e+00  -9.79902e-01 0.00000e+00 0.00000e+00 8.72865e+01 331.353 3.86612e+01 331.353 0.7049 
1 1 1 7  15 24 f 0  8.38046e+01 2.90289e+01 6.57354e+01 51.236  1.72215e+00  2.14466e+00  0.00000e+00 0.00000e+00 3.82059e+01 51.236  2.75294e+01 231.236 0.7897 
1 1 1 7  15 25 o 16 1.65070e+02 2.16233e+01 9.66119e+01 203.523 -7.92394e+00 -3.44915e+00 0.00000e+00 0.00000e+00 1.50175e+02 203.523 5.35634e+01 203.523 0.9402 
1 1 1 7  15 26 o 14 9.55753e+01 3.39843e+01 7.29841e+01 194.450 -3.51598e+00 -9.06021e-01 0.00000e+00 0.00000e+00 5.75044e+01 194.450 1.54796e+01 14.450  0.8477 
1 1 1 7  15 27 o 1  5.91073e+01 2.54998e+01 6.43653e+01 35.810  2.21218e+00  1.59608e+00  0.00000e+00 0.00000e+00 1.16312e+01 35.810  5.27341e+01 215.810 0.7877 
1 1 1 7  15 28 o 13 4.76043e+01 2.25953e+01 3.26168e+01 342.437 1.40476e+00  -4.44616e-01 0.00000e+00 0.00000e+00 1.38309e+01 342.437 1.87859e+01 162.437 0.5895 
1 1 1 7  15 29 o 3  5.27706e+01 2.45475e+01 4.16896e+01 138.731 -1.63941e+00 1.43868e+00  0.00000e+00 0.00000e+00 2.25852e+01 138.731 1.91044e+01 318.731 0.7254 
1 1 1 7  15 30 o 10 4.72275e+01 2.28266e+01 1.10482e+01 4.514   5.95372e-01  4.70016e-02  0.00000e+00 0.00000e+00 1.19750e+01 4.514   9.26795e-01 4.514   0.2860 
1 1 1 7  15 31 o 8  5.74494e+01 2.63684e+01 4.83238e+01 272.156 1.18424e-01  -3.14613e+00 0.00000e+00 0.00000e+00 3.32445e+01 272.156 1.50793e+01 92.156  0.8204 
1 1 1 7  15 32 o 6  6.75673e+01 2.92822e+01 2.22034e+01 215.951 -1.25358e+00 -9.09134e-01 0.00000e+00 0.00000e+00 5.00224e+01 215.951 2.78189e+01 215.951 0.6079 
1 1 1 7  15 33 o 7  6.29350e+01 2.83910e+01 3.87002e+01 53.816  1.61001e+00  2.20109e+00  0.00000e+00 0.00000e+00 4.98995e+01 53.816  1.11994e+01 53.816  0.7876 
1 1 1 7  15 34 o 11 4.42886e+01 2.19534e+01 3.09052e+01 18.703  2.29548e+00  7.77127e-01  0.00000e+00 0.00000e+00 2.99956e+01 18.703  9.09549e-01 198.703 0.7564 
1 1 1 7  16 1  o 18 3.58161e+02 1.18173e+01 1.48572e+02 120.226 -5.18797e+00 8.90448e+00  0.00000e+00 0.00000e+00 3.21472e+02 120.226 1.72899e+02 120.226 0.9502 
1 1 1 7  16 2  o 13 3.29429e+02 1.34580e+01 3.27884e+02 342.235 1.97150e+01  -6.31653e+00 0.00000e+00 0.00000e+00 1.16333e+02 342.235 2.11550e+02 162.235 0.9755 
1 1 1 7  16 3  o 13 2.22269e+02 1.29551e+01 1.59914e+02 323.275 5.42589e+00  -4.04807e+00 0.00000e+00 0.00000e+00 1.23977e+02 323.275 3.59371e+01 143.275 0.9229 
1 1 1 7  16 4  o 17 2.93582e+02 1.32978e+01 7.27915e+01 258.081 -8.08375e-01 -3.82971e+00 0.00000e+00 0.00000e+00 2.77314e+02 258.081 2.04522e+02 258.081 0.8601 
1 1 1 7  16 5  o 11 1.56554e+02 1.43477e+01 3.85183e+01 332.771 9.64897e-01  -4.96501e-01 0.00000e+00 0.00000e+00 6.49790e+01 332.771 2.64607e+01 332.771 0.4757 
1 1 1 7  16 6  o 8  2.17068e+02 1.36983e+01 1.29329e+02 105.618 -1.49514e+00 5.34858e+00  0.00000e+00 0.00000e+00 1.44354e+02 105.618 1.50256e+01 105.618 0.9048 
1 1 1 7  16 7  o 3  2.18445e+02 1.41420e+01 1.82071e+02 242.963 -3.50277e+00 -6.86369e+00 0.00000e+00 0.00000e+00 1.02755e+02 242.963 7.93154e+01 62.963  0.9327 
1 1 1 7  16 8  o 17 2.03679e+02 1.44936e+01 8.10865e+01 108.107 -9.99848e-01 3.05775e+00  0.00000e+00 0.00000e+00 1.54675e+02 108.107 7.35885e+01 108.107 0.8248 
1 1 1 7  16 9  o 15 1.86942e+02 1.55532e+01 5.86732e+01 0.998   2.21770e+00  3.86324e-02  0.00000e+00 0.00000e+00 1.33796e+02 0.998   7.51224e+01 0.998   0.7305 
1 1 1 7  16 10 o 9  3.28266e+02 1.52880e+01 2.25331e+02 209.421 -1.51371e+01 -8.53662e+00 0.00000e+00 0.00000e+00 2.25955e+02 209.421 6.23240e-01 209.421 0.9708 
1 1 1 7  16 11 o 15 4.86706e+02 1.42680e+01 2.33415e+02 156.720 -2.27625e+01 9.79343e+00  0.00000e+00 0.00000e+00 4.45353e+02 156.720 2.11938e+02 156.720 0.9796 
1 1 1 7  16 12 o 4  3.22787e+02 1.50910e+01 2.01058e+02 19.844  1.28072e+01  4.62202e+00  0.00000e+00 0.00000e+00 2.43839e+02 19.844  4.27810e+01 19.844  0.9625 
1 1 1 7  16 13 o 9  4.02572e+02 1.60369e+01 1.98905e+02 17.812  1.26970e+01  4.07949e+00  0.00000e+00 0.00000e+00 3.59003e+02 17.812  1.60097e+02 17.812  0.9617 
1 1 1 7  16 14 o 5  6.57779e+01 2.17236e+01 7.20265e+00 4.195   8.21736e-02  6.02744e-03  0.00000e+00 0.00000e+00 3.27444e+00 184.195 1.04771e+01 184.195 0.0412 
1 1 1 7  16 15 o 12 2.74510e+02 1.74721e+01 1.14954e+02 242.754 -3.08030e+00 -5.98173e+00 0.00000e+00 0.00000e+00 2.55090e+02 242.754 1.40136e+02 242.754 0.9224 
1 1 1 7  16 16 f 0  8.49507e+01 2.36424e+01 5.46400e+01 186.642 -8.97901e-01 -1.04560e-01 0.00000e+00 0.00000e+00 3.17119e+00 6.642   5.78112e+01 6.642   0.4113 
1 1 1 7  16 17 o 6  6.45803e+01 2.38549e+01 9.44034e+01 175.853 -1.39916e+00 1.01450e-01  0.00000e+00 0.00000e+00 3.96168e+01 355.853 1.34020e+02 355.853 0.5712 
1 1 1 7  16 18 o 10 1.57699e+02 2.00054e+01 1.09764e+02 0.511   4.63436e+00  4.13724e-02  0.00000e+00 0.00000e+00 9.91617e+01 0.511   1.06024e+01 180.511 0.8842 
1 1 1 7  16 19 o 12 7.91919e+01 3.74074e+01 8.44358e+01 314.883 1.25741e+00  -1.26253e+00 0.00000e+00 0.00000e+00 5.56408e+00 134.883 8.99998e+01 134.883 0.6585 
1 1 1 7  16 20 o 2  1.64297e+02 4.27351e+01 5.12577e+01 28.283  1.85919e+00  1.00037e+00  0.00000e+00 0.00000e+00 1.28228e+02 28.283  7.69701e+01 28.283  0.7152 
1 1 1 7  16 21 o 7  6.58034e+01 2.64886e+01 4.26354e+01 150.006 -9.66989e-01 5.58153e-01  0.00000e+00 0.00000e+00 6.73534e+00 150.006 3.59000e+01 330.006 0.4862 
1 1 1 7  16 22 o 18 1.51062e+02 4.32330e+01 1.48954e+02 188.253 -6.54576e+00 -9.49443e-01 0.00000e+00 0.00000e+00 6.80921e+01 188.253 8.08617e+01 8.253   0.9210 
1 1 1 7  16 23 o 14 1.37405e+02 3.18139e+01 2.50470e+01 186.595 -1.47461e+00 -1.70499e-01 0.00000e+00 0.00000e+00 1.03364e+02 186.595 7.83169e+01 186.595 0.5923 
1 1 1 7  16 24 o 13 6.50101e+01 2.70843e+01 7.50616e+01 331.041 2.27569e+00  -1.25932e+00 0.00000e+00 0.00000e+00 5.44242e+00 331.041 6.96192e+01 151.041 0.7755 
1 1 1 7  16 25 o 13 9.38204e+01 3.06196e+01 1.89826e+01 239.685 -4.87885e-01 -8.34406e-01 0.00000e+00 0.00000e+00 4.69054e+01 239.685 2.79228e+01 239.685 0.4344 
1 1 1 7  16 26 o 13 7.01998e+01 2.72251e+01 3.72294e+01 72.794  5.30485e-01  1.71310e+00  0.00000e+00 0.00000e+00 3.87256e+01 72.794  1.49626e+00 72.794  0.6607 
1 1 1 7  16 27 o 5  5.34717e+01 2.44540e+01 1.69107e+01 15.716  7.46194e-01  2.09978e-01  0.00000e+00 0.00000e+00 1.51345e+01 15.716  1.77623e+00 195.716 0.3611 
1 1 1 7  16 28 o 19 6.54291e+01 2.79598e+01 2.08138e+01 331.099 1.05378e+00  -5.81747e-01 0.00000e+00 0.00000e+00 3.57688e+01 331.099 1.49550e+01 331.099 0.5139 
1 1 1 7  16 29 o 3  5.56717e+01 2.54292e+01 1.49037e+01 179.571 -8.36046e-01 6.25778e-03  0.00000e+00 0.00000e+00 2.17145e+01 179.571 6.81072e+00 179.571 0.3853 
1 1 1 7  16 30 o 3  4.43972e+01 2.15991e+01 3.85966e+01 89.706  1.18642e-02  2.30857e+00  0.00000e+00 0.00000e+00 1.85187e+01 89.706  2.00779e+01 269.706 0.7425 
1 1 1 7  16 31 o 9  6.75818e+01 2.93832e+01 1.96060e+01 171.090 -1.23845e+00 1.94155e-01  0.00000e+00 0.00000e+00 4.33063e+01 171.090 2.37003e+01 171.090 0.5291 
1 1 1 7  16 32 o 2  4.35304e+01 2.15584e+01 3.27206e+01 265.017 -1.93481e-01 -2.21903e+00 0.00000e+00 0.00000e+00 2.42283e+01 265.017 8.49232e+00 85.017  0.7318 
1 1 1 7  16 33 o 4  4.49231e+01 2.22374e+01 2.97420e+01 333.320 2.00120e+00  -1.00561e+00 0.00000e+00 0.00000e+00 3.01348e+01 333.320 3.92815e-01 333.320 0.7335 
1 1 1 7  17 0  o 4  9.61257e+01 2.48281e+01 3.02281e+01 90.000  1.73870e-17  2.83951e-01  0.00000e+00 0.00000e+00 7.13285e+00 90.000  2.30952e+01 270.000 0.2766 
1 1 1 7  17 1  o 14 3.90785e+02 1.23610e+01 1.93811e+02 312.802 1.02620e+01  -1.10811e+01 0.00000e+00 0.00000e+00 3.37015e+02 312.802 1.43204e+02 312.802 0.9663 
1 1 1 7  17 2  o 5  6.44184e+01 1.80653e+01 9.68543e+01 127.824 -7.41588e-01 9.55240e-01  0.00000e+00 0.00000e+00 5.01237e+01 307.823 1.46978e+02 307.823 0.5157 
1 1 1 7  17 3  o 16 4.40188e+02 1.51498e+01 2.89722e+02 159.736 -2.33283e+01 8.61283e+00  0.00000e+00 0.00000e+00 3.17713e+02 159.736 2.79916e+01 159.736 0.9797 
1 1 1 7  17 4  o 15 5.95436e+02 1.77569e+01 3.95764e+02 288.937 1.50009e+01  -4.37222e+01 0.00000e+00 0.00000e+00 4.35289e+02 288.937 3.95254e+01 288.937 0.9891 
1 1 1 7  17 5  o 18 1.25694e+02 2.31321e+01 6.95783e+01 113.891 -6.66025e-01 1.50362e+00  0.00000e+00 0.00000e+00 4.23920e+01 113.891 2.71863e+01 293.891 0.6299 
1 1 1 7  17 6  o 3  2.95300e+02 1.85794e+01 1.54333e+02 83.757  1.00413e+00  9.17923e+00  0.00000e+00 0.00000e+00 2.41087e+02 83.757  8.67540e+01 83.757  0.9442 
1 1 1 7  17 7  o 10 3.99949e+02 1.92310e+01 2.21653e+02 343.506 1.68689e+01  -4.99494e+00 0.00000e+00 0.00000e+00 3.30994e+02 343.506 1.09341e+02 343.506 0.9712 
1 1 1 7  17 8  o 11 4.09107e+02 1.93535e+01 2.66599e+02 199.978 -2.36372e+01 -8.59308e+00 0.00000e+00 0.00000e+00 3.05967e+02 199.978 3.93681e+01 199.978 0.9799 
1 1 1 7  17 9  o 16 4.07369e+02 1.57859e+01 1.36257e+02 163.893 -1.16643e+01 3.36826e+00  0.00000e+00 0.00000e+00 4.23455e+02 163.893 2.87199e+02 163.893 0.9579 
1 1 1 7  17 11 o 10 9.18266e+01 2.82217e+01 6.74014e+01 122.438 -6.80713e-01 1.07105e+00  0.00000e+00 0.00000e+00 3.60041e+00 122.438 6.38009e+01 302.438 0.5337 
1 1 1 7  17 12 o 18 1.57327e+02 1.49817e+01 1.25530e+02 134.208 -2.28666e+00 2.35073e+00  0.00000e+00 0.00000e+00 6.44736e+01 134.208 6.10560e+01 314.208 0.8287 
1 1 1 7  17 13 o 6  3.69448e+02 1.61822e+01 1.92721e+02 322.726 1.00799e+01  -7.67159e+00 0.00000e+00 0.00000e+00 3.27249e+02 322.726 1.34529e+02 322.726 0.9597 
1 1 1 7  17 14 o 12 3.43445e+02 1.65099e+01 2.50223e+02 271.404 4.16282e-01  -1.69822e+01 0.00000e+00 0.00000e+00 2.41740e+02 271.404 8.48342e+00 91.404  0.9701 
1 1 1 7  17 15 o 9  2.41091e+02 3.17668e+01 1.07079e+02 334.036 4.24484e+00  -2.06703e+00 0.00000e+00 0.00000e+00 2.10820e+02 334.036 1.03741e+02 334.036 0.8865 
1 1 1 7  17 16 o 6  1.01889e+02 2.27093e+01 1.02129e+02 121.088 -1.25059e+00 2.07415e+00  0.00000e+00 0.00000e+00 1.33797e+01 121.088 8.87494e+01 301.087 0.7562 
1 1 1 7  17 17 o 1  7.82178e+01 2.47235e+01 3.43612e+01 135.229 -5.43567e-01 5.39236e-01  0.00000e+00 0.00000e+00 7.88053e+00 135.229 2.64807e+01 315.229 0.3573 
1 1 1 7  17 18 o 1  1.20603e+02 4.60758e+01 7.48589e+01 215.417 -1.71350e+00 -1.21850e+00 0.00000e+00 0.00000e+00 5.64463e+01 215.417 1.84126e+01 35.417  0.7139 
1 1 1 7  17 19 o 6  6.32940e+01 2.45050e+01 3.33123e+01 125.752 -4.06081e-01 5.64040e-01  0.00000e+00 0.00000e+00 1.34731e+00 305.752 3.46596e+01 305.752 0.3281 
1 1 1 7  17 20 o 18 8.65000e+01 2.76067e+01 2.78031e+01 100.936 -1.79354e-01 9.28213e-01  0.00000e+00 0.00000e+00 2.95741e+01 100.936 1.77103e+00 100.936 0.4267 
1 1 1 7  17 21 o 17 1.09927e+02 2.72692e+01 2.49489e+01 74.684  2.95340e-01  1.07843e+00  0.00000e+00 0.00000e+00 5.90831e+01 74.684  3.41342e+01 74.684  0.4867 
1 1 1 7  17 22 o 5  9.06073e+01 4.10111e+01 1.61163e+02 346.865 5.01311e+00  -1.16982e+00 0.00000e+00 0.00000e+00 3.21573e+01 166.865 1.93320e+02 166.865 0.8967 
1 1 1 7  17 23 o 5  4.82532e+01 2.26650e+01 3.83534e+01 224.123 -7.87860e-01 -7.64110e-01 0.00000e+00 0.00000e+00 1.16659e+00 44.123  3.95200e+01 44.123  0.4799 
1 1 1 7  17 24 o 15 8.35226e+01 3.50141e+01 1.49772e+02 185.766 -5.24299e+00 -5.29433e-01 0.00000e+00 0.00000e+00 2.77122e+01 5.766   1.77484e+02 5.766   0.8993 
1 1 1 7  17 25 o 13 6.75615e+01 2.82468e+01 4.34298e+01 25.209  1.68460e+00  7.93029e-01  0.00000e+00 0.00000e+00 3.14623e+01 25.209  1.19675e+01 205.209 0.6737 
1 1 1 7  17 26 o 2  5.76179e+01 2.53552e+01 8.58427e+01 0.641   3.89669e+00  4.35979e-02  0.00000e+00 0.00000e+00 3.31524e+00 180.641 8.91580e+01 180.641 0.8594 
1 1 1 7  17 27 o 5  5.78813e+01 2.61016e+01 2.16548e+01 238.029 -6.03531e-01 -9.66939e-01 0.00000e+00 0.00000e+00 2.66148e+01 238.029 4.95999e+00 238.029 0.4937 
1 1 1 7  17 28 o 12 6.37216e+01 2.71718e+01 2.59946e+01 169.689 -1.48819e+00 2.70742e-01  0.00000e+00 0.00000e+00 3.93995e+01 169.689 1.34049e+01 169.689 0.5992 
1 1 1 7  17 29 o 9  5.94548e+01 2.66947e+01 2.48586e+01 311.880 9.70964e-01  -1.08293e+00 0.00000e+00 0.00000e+00 3.55363e+01 311.880 1.06777e+01 311.880 0.5847 
1 1 1 7  17 30 o 11 4.88890e+01 2.33204e+01 1.78511e+00 182.223 -1.13484e-01 -4.40521e-03 0.00000e+00 0.00000e+00 3.10254e+00 182.223 1.31743e+00 182.223 0.0567 
1 1 1 7  17 31 o 1  4.88571e+01 2.35372e+01 1.11662e+01 128.042 -4.74625e-01 6.06569e-01  0.00000e+00 0.00000e+00 2.02522e+01 128.042 9.08597e+00 128.042 0.3591 
1 1 1 7  17 32 o 2  5.21516e+01 2.48699e+01 2.48406e+01 40.701  1.33961e+00  1.15231e+00  0.00000e+00 0.00000e+00 3.73631e+01 40.701  1.25225e+01 40.701  0.6556 
1 1 1 7  17 33 o 1  4.54773e+01 2.25584e+01 4.66733e+00 226.177 -2.47155e-01 -2.57525e-01 0.00000e+00 0.00000e+00 1.01097e+01 226.177 5.44241e+00 226.177 0.1757 
1 1 1 7  18 0  o 1  4.74236e+01 2.55531e+01 2.86045e+01 90.000  8.45350e-18  1.38056e-01  0.00000e+00 0.00000e+00 1.92892e+01 270.000 4.78937e+01 270.000 0.1372 
1 1 1 7  18 1  o 13 3.61225e+02 1.22693e+01 2.63920e+02 337.037 1.83121e+01  -7.75926e+00 0.00000e+00 0.00000e+00 2.40248e+02 337.037 2.36726e+01 157.037 0.9745 
1 1 1 7  18 2  o 5  4.08632e+02 1.48237e+01 2.52809e+02 198.244 -2.01768e+01 -6.65084e+00 0.00000e+00 0.00000e+00 3.18924e+02 198.244 6.61156e+01 198.244 0.9762 
1 1 1 7  18 3  o 14 5.09702e+02 1.64016e+01 3.33079e+02 214.797 -2.82750e+01 -1.96497e+01 0.00000e+00 0.00000e+00 3.87691e+02 214.797 5.46122e+01 214.797 0.9854 
1 1 1 7  18 4  o 10 7.81094e+02 2.14294e+01 4.63281e+02 17.825  7.96738e+01  2.56193e+01  0.00000e+00 0.00000e+00 6.52914e+02 17.825  1.89633e+02 17.825  0.9940 
1 1 1 7  18 5  o 11 1.31578e+02 1.68936e+01 4.16482e+01 152.304 -1.14241e+00 5.99675e-01  0.00000e+00 0.00000e+00 6.07014e+01 152.304 1.90531e+01 152.304 0.5398 
1 1 1 7  18 6  o 17 8.57454e+01 2.77139e+01 1.53977e+02 203.389 -2.48067e+00 -1.07294e+00 0.00000e+00 0.00000e+00 5.66752e+01 23.389  2.10652e+02 23.389  0.7854 
1 1 1 7  18 7  o 3  2.68545e+02 1.96227e+01 1.34908e+02 74.460  2.07347e+00  7.45658e+00  0.00000e+00 0.00000e+00 2.28289e+02 74.460  9.33814e+01 74.460  0.9330 
1 1 1 7  18 8  o 5  2.03767e+02 1.51906e+01 9.31940e+01 262.137 -5.54316e-01 -4.01363e+00 0.00000e+00 0.00000e+00 1.63430e+02 262.137 7.02357e+01 262.137 0.8655 
1 1 1 7  18 9  o 7  3.53723e+02 1.56115e+01 1.27092e+02 322.981 8.07813e+00  -6.09152e+00 0.00000e+00 0.00000e+00 3.63583e+02 322.981 2.36491e+02 322.981 0.9492 
1 1 1 7  18 10 o 8  2.99769e+02 1.55671e+01 1.67610e+02 111.904 -3.14338e+00 7.81780e+00  0.00000e+00 0.00000e+00 2.45562e+02 111.904 7.79524e+01 111.904 0.9386 
1 1 1 7  18 11 o 16 2.86924e+02 1.99708e+01 1.43365e+02 201.749 -6.78264e+00 -2.70586e+00 0.00000e+00 0.00000e+00 2.50021e+02 201.749 1.06656e+02 201.749 0.9288 
1 1 1 7  18 12 o 10 1.25986e+02 1.71108e+01 8.02034e+01 252.883 -6.46639e-01 -2.09971e+00 0.00000e+00 0.00000e+00 5.59071e+01 252.883 2.42963e+01 72.883  0.7276 
1 1 1 7  18 13 o 10 1.49042e+02 1.63026e+01 6.89465e+01 95.462  -2.03552e-01 2.12885e+00  0.00000e+00 0.00000e+00 9.12308e+01 95.462  2.22843e+01 95.462  0.7193 
1 1 1 7  18 14 o 13 2.48845e+02 1.79709e+01 2.03486e+02 282.412 2.22835e+00  -1.01249e+01 0.00000e+00 0.00000e+00 1.52333e+02 282.412 5.11532e+01 102.412 0.9505 
1 1 1 7  18 15 o 12 1.01460e+02 3.71982e+01 5.09524e+01 278.444 1.53124e-01  -1.03140e+00 0.00000e+00 0.00000e+00 1.99778e+01 278.444 3.09746e+01 98.445  0.4613 
1 1 1 7  18 16 o 10 1.16785e+02 3.77390e+01 1.30465e+02 159.826 -3.46374e+00 1.27266e+00  0.00000e+00 0.00000e+00 2.12284e+01 159.826 1.09237e+02 339.826 0.8505 
1 1 1 7  18 17 o 1  7.90854e+01 2.46285e+01 7.41190e+01 43.210  1.27951e+00  1.20195e+00  0.00000e+00 0.00000e+00 5.44625e+00 43.210  6.86728e+01 223.210 0.6533 
1 1 1 7  18 18 o 5  1.35442e+02 4.96054e+01 1.11319e+02 357.148 3.37046e+00  -1.67927e-01 0.00000e+00 0.00000e+00 6.42481e+01 357.148 4.70707e+01 177.148 0.8343 
1 1 1 7  18 19 o 13 7.01674e+01 3.37922e+01 1.25775e+02 159.477 -2.91824e+00 1.09240e+00  0.00000e+00 0.00000e+00 3.57365e+01 339.477 1.61512e+02 339.477 0.8182 
1 1 1 7  18 20 o 13 9.07990e+01 2.61301e+01 2.38126e+00 45.945  6.28308e-02  6.49384e-02  0.00000e+00 0.00000e+00 4.10929e+00 45.945  1.72803e+00 45.945  0.0451 
1 1 1 7  18 21 o 3  1.55045e+02 2.13236e+01 7.26440e+01 294.005 2.42634e+00  -5.44838e+00 0.00000e+00 0.00000e+00 1.53586e+02 294.005 8.09422e+01 294.005 0.9118 
1 1 1 7  18 22 o 3  1.17217e+02 3.96520e+01 1.35976e+02 53.064  3.78379e+00  5.03286e+00  0.00000e+00 0.00000e+00 3.78586e+01 53.064  9.81170e+01 233.064 0.9167 
1 1 1 7  18 23 o 12 7.54317e+01 2.80184e+01 5.15067e+01 251.105 -6.28023e-01 -1.83482e+00 0.00000e+00 0.00000e+00 3.33510e+01 251.105 1.81556e+01 71.105  0.6876 
1 1 1 7  18 24 o 12 7.48848e+01 3.32864e+01 8.49195e+01 223.645 -2.43262e+00 -2.32018e+00 0.00000e+00 0.00000e+00 1.84273e+01 223.645 6.64921e+01 43.645  0.8335 
1 1 1 7  18 25 o 11 4.15570e+01 2.01403e+01 4.88111e+01 186.781 -1.89358e+00 -2.25173e-01 0.00000e+00 0.00000e+00 1.31069e+00 6.781   5.01217e+01 6.781   0.6819 
1 1 1 7  18 26 o 14 6.71300e+01 2.69048e+01 4.50827e+01 289.828 9.07133e-01  -2.51585e+00 0.00000e+00 0.00000e+00 4.41339e+01 289.828 9.48794e-01 109.828 0.7827 
1 1 1 7  18 27 f 0  7.94452e+01 3.10641e+01 4.65893e+01 40.109  2.14216e+00  1.80446e+00  0.00000e+00 0.00000e+00 6.19745e+01 40.109  1.53852e+01 40.109  0.7941 
1 1 1 7  18 28 o 16 4.89155e+01 2.30463e+01 3.11164e+01 88.035  5.91287e-02  1.72364e+00  0.00000e+00 0.00000e+00 2.41023e+01 88.035  7.01414e+00 268.035 0.6470 
1 1 1 7  18 29 o 8  5.70991e+01 2.60973e+01 2.55906e+01 209.545 -1.45162e+00 -8.22786e-01 0.00000e+00 0.00000e+00 3.86031e+01 209.545 1.30125e+01 209.545 0.6351 
1 1 1 7  18 30 o 1  6.32295e+01 2.80996e+01 2.02355e+01 143.206 -1.05923e+00 7.92234e-01  0.00000e+00 0.00000e+00 4.21496e+01 143.206 2.19140e+01 143.206 0.5492 
1 1 1 7  18 31 o 13 5.86253e+01 2.68911e+01 2.08320e+01 355.182 1.47610e+00  -1.24418e-01 0.00000e+00 0.00000e+00 4.24339e+01 355.182 2.16019e+01 355.182 0.5915 
1 1 1 7  18 32 o 12 4.58948e+01 2.25592e+01 1.43847e+01 354.208 1.06449e+00  -1.07972e-01 0.00000e+00 0.00000e+00 2.56541e+01 354.208 1.12694e+01 354.208 0.4706 
1 1 1 7  19 0  o 4  4.52251e+01 2.54829e+01 1.14512e+02 270.000 -3.47343e-17 -5.67254e-01 0.00000e+00 0.00000e+00 8.06086e+01 90.000  1.95121e+02 90.000  0.5133 
1 1 1 7  19 1  o 18 2.07177e+02 1.19502e+01 9.77160e+01 178.461 -4.56049e+00 1.22527e-01  0.00000e+00 0.00000e+00 1.69244e+02 178.461 7.15282e+01 178.461 0.8821 
1 1 1 7  19 2  o 2  3.38748e+02 1.41870e+01 1.63390e+02 260.542 -2.02248e+00 -1.21412e+01 0.00000e+00 0.00000e+00 3.11242e+02 260.542 1.47852e+02 260.542 0.9585 
1 1 1 7  19 3  o 1  6.48790e+02 1.88469e+01 2.78529e+02 340.538 3.64772e+01  -1.28904e+01 0.00000e+00 0.00000e+00 6.58741e+02 340.538 3.80212e+02 340.538 0.9870 
1 1 1 7  19 4  o 18 6.56983e+02 1.91255e+01 2.75595e+02 117.463 -1.77007e+01 3.40557e+01  0.00000e+00 0.00000e+00 6.75088e+02 117.463 3.99493e+02 117.463 0.9869 
1 1 1 7  19 5  o 19 1.22975e+02 1.81213e+01 3.52171e+01 26.886  8.14986e-01  4.13216e-01  0.00000e+00 0.00000e+00 3.97829e+01 26.886  4.56583e+00 26.886  0.4150 
1 1 1 7  19 6  o 14 3.00099e+02 1.96526e+01 2.42051e+02 322.924 1.28790e+01  -9.73166e+00 0.00000e+00 0.00000e+00 1.86275e+02 322.924 5.57760e+01 142.924 0.9685 
1 1 1 7  19 7  o 4  4.17333e+02 1.57034e+01 2.51559e+02 159.249 -1.67499e+01 6.34646e+00  0.00000e+00 0.00000e+00 3.47999e+02 159.249 9.64397e+01 159.249 0.9717 
1 1 1 7  19 8  f 0  1.86461e+02 2.03022e+01 1.68416e+02 165.544 -4.99983e+00 1.28894e+00  0.00000e+00 0.00000e+00 7.98226e+01 165.544 8.85939e+01 345.544 0.8970 
1 1 1 7  19 9  o 3  1.28083e+02 1.95485e+01 2.87084e+01 37.076  5.24741e-01  3.96515e-01  0.00000e+00 0.00000e+00 3.09053e+01 37.076  2.19684e+00 37.076  0.3123 
1 1 1 7  19 10 o 9  5.19837e+01 2.15883e+01 7.00933e+01 32.861  6.53227e-01  4.21963e-01  0.00000e+00 0.00000e+00 4.19006e+01 212.861 1.11994e+02 212.861 0.3621 
1 1 1 7  19 11 o 1  1.68424e+02 2.32727e+01 6.80118e+01 32.219  1.85663e+00  1.17003e+00  0.00000e+00 0.00000e+00 1.16411e+02 32.219  4.83996e+01 32.219  0.7273 
1 1 1 7  19 12 o 12 2.08788e+02 2.24341e+01 1.19970e+02 359.107 4.98372e+00  -7.77130e-02 0.00000e+00 0.00000e+00 1.62387e+02 359.107 4.24165e+01 359.107 0.8930 
1 1 1 7  19 13 o 7  2.48856e+02 1.71190e+01 1.90949e+02 205.591 -1.05786e+01 -5.06649e+00 0.00000e+00 0.00000e+00 1.71750e+02 205.591 1.91990e+01 25.591  0.9564 
1 1 1 7  19 14 o 1  7.41367e+01 3.14213e+01 9.09614e+01 292.466 6.30700e-01  -1.52524e+00 0.00000e+00 0.00000e+00 1.91614e+01 112.466 1.10123e+02 112.466 0.6312 
1 1 1 7  19 15 o 6  1.46974e+02 3.48269e+01 7.14062e+01 110.358 -1.03372e+00 2.78582e+00  0.00000e+00 0.00000e+00 1.12111e+02 110.358 4.07044e+01 110.358 0.8079 
1 1 1 7  19 16 o 12 6.47695e+01 3.05805e+01 9.88524e+01 129.274 -1.12697e+00 1.37818e+00  0.00000e+00 0.00000e+00 3.24446e+01 309.274 1.31297e+02 309.274 0.6582 
1 1 1 7  19 17 o 6  1.10380e+02 4.40136e+01 1.39383e+02 315.133 2.75595e+00  -2.74322e+00 0.00000e+00 0.00000e+00 9.56841e+00 315.133 1.29815e+02 135.133 0.8591 
1 1 1 7  19 18 o 13 1.15319e+02 3.50423e+01 6.63906e+01 88.329  8.15230e-02  2.79514e+00  0.00000e+00 0.00000e+00 7.86594e+01 88.329  1.22688e+01 88.329  0.7937 
1 1 1 7  19 19 o 16 1.33517e+02 2.09533e+01 7.37188e+01 130.261 -2.83517e+00 3.34769e+00  0.00000e+00 0.00000e+00 1.13561e+02 130.261 3.98422e+01 130.261 0.8769 
1 1 1 7  19 20 o 14 1.01210e+02 3.35326e+01 6.88876e+01 291.785 1.08601e+00  -2.71727e+00 0.00000e+00 0.00000e+00 6.26220e+01 291.785 6.26559e+00 111.785 0.8044 
1 1 1 7  19 21 o 1  8.02834e+01 3.76238e+01 1.67023e+02 337.829 5.16708e+00  -2.10562e+00 0.00000e+00 0.00000e+00 4.83985e+01 157.829 2.15421e+02 157.829 0.9053 
1 1 1 7  19 22 o 18 7.65391e+01 2.73121e+01 6.41156e+01 183.304 -2.49619e+00 -1.44105e-01 0.00000e+00 0.00000e+00 3.24970e+01 183.304 3.16186e+01 3.304   0.7650 
1 1 1 7  19 23 o 6  8.83411e+01 3.52176e+01 1.29273e+02 179.921 -5.71441e+00 7.92493e-03  0.00000e+00 0.00000e+00 4.53797e+00 179.921 1.24735e+02 359.921 0.9077 
1 1 1 7  19 24 o 10 7.43320e+01 3.26682e+01 4.37197e+01 48.495  1.33245e+00  1.50581e+00  0.00000e+00 0.00000e+00 4.40860e+01 48.495  3.66361e-01 48.495  0.6995 
1 1 1 7  19 25 o 18 8.95985e+01 2.93253e+01 4.64071e+01 7.804   3.06214e+00  4.19664e-01  0.00000e+00 0.00000e+00 7.86638e+01 7.804   3.22567e+01 7.804   0.8165 
1 1 1 7  19 26 o 9  7.98481e+01 2.93322e+01 6.01846e+01 208.247 -3.44230e+00 -1.84939e+00 0.00000e+00 0.00000e+00 5.87195e+01 208.247 1.46509e+00 28.247  0.8599 
1 1 1 7  19 27 o 6  5.28331e+01 2.43722e+01 2.10995e+01 7.648   1.16043e+00  1.55831e-01  0.00000e+00 0.00000e+00 2.56036e+01 7.648   4.50406e+00 7.648   0.5037 
1 1 1 7  19 28 o 7  6.17924e+01 2.75218e+01 1.58632e+01 80.191  1.66309e-01  9.61914e-01  0.00000e+00 0.00000e+00 3.22898e+01 80.191  1.64266e+01 80.191  0.4379 
1 1 1 7  19 29 o 11 8.05587e+01 3.08871e+01 2.23463e+01 136.010 -1.12506e+00 1.08608e+00  0.00000e+00 0.00000e+00 6.65900e+01 136.010 4.42437e+01 136.010 0.6115 
1 1 1 7  19 30 o 12 4.29879e+01 2.12544e+01 1.51929e+01 318.145 7.69600e-01  -6.89435e-01 0.00000e+00 0.00000e+00 2.08888e+01 318.145 5.69587e+00 318.145 0.4580 
1 1 1 7  19 31 o 4  5.17195e+01 2.45789e+01 9.36524e+00 338.258 6.25980e-01  -2.49645e-01 0.00000e+00 0.00000e+00 2.13528e+01 338.258 1.19876e+01 338.258 0.3192 
1 1 1 7  20 0  o 5  2.95419e+02 1.71614e+01 1.34811e+02 270.000 -2.81646e-16 -4.59962e+00 0.00000e+00 0.00000e+00 3.05585e+02 270.000 1.70775e+02 270.000 0.9998 
1 1 1 7  20 1  o 17 2.86969e+02 1.42455e+01 2.31634e+02 207.304 -1.34987e+01 -6.96841e+00 0.00000e+00 0.00000e+00 1.82024e+02 207.304 4.96098e+01 27.304  0.9665 
1 1 1 7  20 2  o 11 2.01336e+02 1.22883e+01 1.68072e+02 35.021  4.82998e+00  3.38458e+00  0.00000e+00 0.00000e+00 1.05611e+02 35.021  6.24612e+01 215.021 0.9107 
1 1 1 7  20 3  o 5  6.95074e+02 1.97777e+01 3.86968e+02 23.331  4.15131e+01  1.79047e+01  0.00000e+00 0.00000e+00 6.40225e+02 23.331  2.53257e+02 23.331  0.9889 
1 1 1 7  20 4  o 12 3.11840e+02 1.46834e+01 1.59841e+02 242.823 -3.88275e+00 -7.56234e+00 0.00000e+00 0.00000e+00 2.78623e+02 242.823 1.18782e+02 242.823 0.9392 
1 1 1 7  20 5  o 16 1.30302e+02 2.60179e+01 1.47500e+02 201.126 -3.14481e+00 -1.21515e+00 0.00000e+00 0.00000e+00 1.55779e+01 201.126 1.31922e+02 21.126  0.8341 
1 1 1 7  20 6  o 2  3.05140e+02 2.06290e+01 2.35330e+02 20.641  1.20521e+01  4.54000e+00  0.00000e+00 0.00000e+00 2.05597e+02 20.641  2.97329e+01 200.641 0.9604 
1 1 1 7  20 7  o 8  2.35743e+02 1.57749e+01 8.91530e+01 242.616 -2.16924e+00 -4.18779e+00 0.00000e+00 0.00000e+00 2.26280e+02 242.616 1.37127e+02 242.616 0.8864 
1 1 1 7  20 8  o 19 2.15321e+02 1.61406e+01 1.16542e+02 156.895 -4.70452e+00 2.00710e+00  0.00000e+00 0.00000e+00 1.75797e+02 156.895 5.92553e+01 156.895 0.8960 
1 1 1 7  20 9  o 19 1.34822e+02 1.90881e+01 1.79551e+02 104.509 -1.26415e+00 4.88481e+00  0.00000e+00 0.00000e+00 3.96362e+00 104.509 1.75587e+02 284.509 0.8944 
1 1 1 7  20 10 o 2  1.51803e+02 2.21739e+01 1.64418e+02 240.305 -2.52529e+00 -4.42827e+00 0.00000e+00 0.00000e+00 4.34745e+01 240.305 1.20944e+02 60.305  0.8956 
1 1 1 7  20 11 o 3  4.86568e+02 2.20160e+01 2.48157e+02 286.745 8.37490e+00  -2.78358e+01 0.00000e+00 0.00000e+00 4.86839e+02 286.745 2.38682e+02 286.745 0.9826 
1 1 1 7  20 12 o 9  2.17229e+02 2.25503e+01 1.54679e+02 74.900  2.38523e+00  8.83991e+00  0.00000e+00 0.00000e+00 1.62288e+02 74.900  7.60893e+00 74.900  0.9437 
1 1 1 7  20 13 f 0  1.31959e+02 3.53051e+01 1.22875e+02 233.844 -2.41766e+00 -3.30862e+00 0.00000e+00 0.00000e+00 5.51786e+01 233.844 6.76959e+01 53.844  0.8672 
1 1 1 7  20 14 o 7  1.36926e+02 2.83024e+01 3.08636e+01 86.905  7.06239e-02  1.30599e+00  0.00000e+00 0.00000e+00 8.60294e+01 86.905  5.51658e+01 86.905  0.5449 
1 1 1 7  20 15 o 13 7.28542e+01 3.18573e+01 1.28827e+02 97.827  -3.88669e-01 2.82739e+00  0.00000e+00 0.00000e+00 3.70134e+01 277.827 1.65841e+02 277.827 0.7986 
1 1 1 7  20 16 o 2  4.03251e+01 1.81913e+01 5.81257e+01 222.916 -8.01748e-01 -7.45442e-01 0.00000e+00 0.00000e+00 2.74070e+01 42.916  8.55327e+01 42.916  0.4790 
1 1 1 7  20 17 o 18 9.90844e+01 3.44648e+01 9.91881e+01 290.045 1.24171e+00  -3.40327e+00 0.00000e+00 0.00000e+00 3.54501e+01 290.045 6.37380e+01 110.045 0.8473 
1 1 1 7  20 18 o 13 9.35470e+01 2.46216e+01 2.09479e+01 190.738 -8.10709e-01 -1.53749e-01 0.00000e+00 0.00000e+00 3.67244e+01 190.738 1.57765e+01 190.738 0.3810 
1 1 1 7  20 19 o 14 1.22639e+02 2.28242e+01 7.01503e+01 44.034  3.27034e+00  3.16186e+00  0.00000e+00 0.00000e+00 1.06454e+02 44.034  3.63038e+01 44.034  0.8818 
1 1 1 7  20 20 o 19 1.23569e+02 2.31738e+01 7.76850e+01 330.124 4.94891e+00  -2.84300e+00 0.00000e+00 0.00000e+00 1.07278e+02 330.124 2.95931e+01 330.124 0.9076 
1 1 1 7  20 21 o 1  7.61038e+01 2.60064e+01 5.58925e+01 150.598 -1.95089e+00 1.09937e+00  0.00000e+00 0.00000e+00 3.71205e+01 150.598 1.87720e+01 330.598 0.7334 
1 1 1 7  20 22 o 14 8.84160e+01 2.69114e+01 7.44375e+01 180.676 -4.20642e+00 -4.96141e-02 0.00000e+00 0.00000e+00 5.52986e+01 180.676 1.91389e+01 0.676   0.8710 
1 1 1 7  20 23 o 1  7.92726e+01 2.98801e+01 6.92779e+01 218.750 -2.69492e+00 -2.16293e+00 0.00000e+00 0.00000e+00 4.40098e+01 218.750 2.52681e+01 38.750  0.8387 
1 1 1 7  20 24 o 19 8.95851e+01 3.09658e+01 5.60037e+01 340.324 3.30366e+00  -1.18130e+00 0.00000e+00 0.00000e+00 7.39801e+01 340.324 1.79764e+01 340.324 0.8415 
1 1 1 7  20 25 o 11 7.55167e+01 3.18536e+01 5.09206e+01 73.014  8.35711e-01  2.73582e+00  0.00000e+00 0.00000e+00 5.44213e+01 73.014  3.50073e+00 73.014  0.7991 
1 1 1 7  20 26 o 7  7.16174e+01 2.90289e+01 3.02972e+01 80.604  3.02636e-01  1.82890e+00  0.00000e+00 0.00000e+00 5.48300e+01 80.604  2.45328e+01 80.604  0.6722 
1 1 1 7  20 27 o 10 7.02013e+01 2.85784e+01 1.95867e+01 102.357 -2.78215e-01 1.26990e+00  0.00000e+00 0.00000e+00 4.86808e+01 102.357 2.90941e+01 102.357 0.5427 
1 1 1 7  20 28 o 16 6.90892e+01 2.91989e+01 3.50372e+01 224.741 -1.62091e+00 -1.60634e+00 0.00000e+00 0.00000e+00 5.77406e+01 224.741 2.27033e+01 224.741 0.7391 
1 1 1 7  20 29 o 15 5.15032e+01 2.42004e+01 5.28465e+00 53.173  2.18425e-01  2.91690e-01  0.00000e+00 0.00000e+00 1.17321e+01 53.173  6.44749e+00 53.173  0.1792 
1 1 1 7  20 30 o 10 7.54219e+01 3.08765e+01 3.43928e+01 20.002  2.30400e+00  8.38691e-01  0.00000e+00 0.00000e+00 7.28028e+01 20.002  3.84100e+01 20.002  0.7597 
1 1 1 7  20 31 o 5  6.77196e+01 2.96337e+01 1.08896e+01 186.145 -7.67758e-01 -8.26658e-02 0.00000e+00 0.00000e+00 3.54181e+01 186.145 2.45285e+01 186.145 0.3599 
1 1 1 7  21 1  o 15 9.56373e+01 1.78542e+01 9.37628e+01 299.171 9.78719e-01  -1.75331e+00 0.00000e+00 0.00000e+00 8.15511e+00 299.171 8.56077e+01 119.171 0.6991 
1 1 1 7  21 2  o 14 3.90699e+02 1.48543e+01 2.14322e+02 50.804  1.20148e+01  1.47339e+01  0.00000e+00 0.00000e+00 3.65812e+02 50.804  1.51490e+02 50.804  0.9733 
1 1 1 7  21 3  o 11 1.04371e+02 2.22802e+01 9.06398e+01 335.952 1.86294e+00  -8.31293e-01 0.00000e+00 0.00000e+00 2.16319e+01 335.952 6.90079e+01 155.952 0.7042 
1 1 1 7  21 4  o 8  1.26823e+02 2.53808e+01 6.11358e+01 325.905 1.24641e+00  -8.43719e-01 0.00000e+00 0.00000e+00 5.47956e+01 325.905 6.34019e+00 145.905 0.5974 
1 1 1 7  21 5  o 9  6.12141e+02 1.86087e+01 2.23383e+02 195.566 -2.65213e+01 -7.38781e+00 0.00000e+00 0.00000e+00 6.98212e+02 195.566 4.74829e+02 195.566 0.9817 
1 1 1 7  21 6  o 15 1.00996e+02 3.13215e+01 1.70967e+01 352.702 3.26863e-01  -4.18631e-02 0.00000e+00 0.00000e+00 8.15405e+00 352.702 8.94264e+00 172.702 0.1626 
1 1 1 7  21 7  o 12 9.68893e+01 2.18823e+01 2.74910e+01 211.326 -4.63204e-01 -2.81921e-01 0.00000e+00 0.00000e+00 1.16209e+01 211.326 1.58702e+01 31.326  0.2616 
1 1 1 7  21 8  f 0  2.26185e+02 2.45158e+01 1.46906e+02 329.867 5.76052e+00  -3.34370e+00 0.00000e+00 0.00000e+00 1.75922e+02 329.867 2.90167e+01 329.867 0.9215 
1 1 1 7  21 9  o 16 2.61395e+02 1.61913e+01 1.53822e+02 47.762  6.80393e+00  7.49360e+00  0.00000e+00 0.00000e+00 2.32125e+02 47.762  7.83027e+01 47.762  0.9492 
1 1 1 7  21 10 o 1  1.87159e+02 5.19187e+01 1.89071e+02 132.692 -4.47652e+00 4.85258e+00  0.00000e+00 0.00000e+00 8.02764e+01 132.692 1.08795e+02 312.692 0.9208 
1 1 1 7  21 11 o 11 1.15011e+02 2.50049e+01 7.73868e+01 159.550 -2.41943e+00 9.02182e-01  0.00000e+00 0.00000e+00 6.24170e+01 159.550 1.49698e+01 339.550 0.7736 
1 1 1 7  21 12 o 13 1.44952e+02 2.32940e+01 1.27949e+02 254.546 -1.64908e+00 -5.96495e+00 0.00000e+00 0.00000e+00 8.17011e+01 254.546 4.62476e+01 74.546  0.9152 
1 1 1 7  21 13 o 11 1.06297e+02 3.18721e+01 1.00836e+02 326.185 2.45195e+00  -1.64234e+00 0.00000e+00 0.00000e+00 3.54702e+01 326.185 6.53657e+01 146.185 0.8063 
1 1 1 7  21 14 o 17 1.13818e+02 3.11062e+01 1.02549e+02 87.167  1.82453e-01  3.68738e+00  0.00000e+00 0.00000e+00 5.24584e+01 87.167  5.00904e+01 267.167 0.8505 
1 1 1 7  21 15 o 3  1.44017e+02 1.85860e+01 6.81493e+01 80.456  7.53547e-01  4.48175e+00  0.00000e+00 0.00000e+00 1.36649e+02 80.456  6.85000e+01 80.456  0.8816 
1 1 1 7  21 16 o 7  5.71569e+01 2.24573e+01 6.73071e+00 265.905 -1.24904e-02 -1.74479e-01 0.00000e+00 0.00000e+00 1.36507e+00 265.905 5.36564e+00 85.905  0.0871 
1 1 1 7  21 17 o 17 1.50137e+02 1.98982e+01 7.94058e+01 180.966 -6.65708e+00 -1.12223e-01 0.00000e+00 0.00000e+00 1.47382e+02 180.966 6.79763e+01 180.966 0.9215 
1 1 1 7  21 18 o 3  8.09011e+01 2.43927e+01 3.77715e+01 228.874 -1.02943e+00 -1.17898e+00 0.00000e+00 0.00000e+00 4.40858e+01 228.874 6.31423e+00 228.874 0.6118 
1 1 1 7  21 19 o 1  1.78769e+02 4.88770e+01 1.13037e+02 314.322 4.37594e+00  -4.48070e+00 0.00000e+00 0.00000e+00 1.60385e+02 314.322 4.73487e+01 314.322 0.9163 
1 1 1 7  21 20 o 1  7.37002e+01 2.95612e+01 1.14388e+02 352.682 4.05175e+00  -5.20351e-01 0.00000e+00 0.00000e+00 6.70718e+00 172.682 1.21095e+02 172.682 0.8667 
1 1 1 7  21 21 o 5  1.18068e+02 3.11275e+01 1.10265e+02 167.663 -7.17635e+00 1.56959e+00  0.00000e+00 0.00000e+00 7.66001e+01 167.663 3.36647e+01 347.663 0.9292 
1 1 1 7  21 22 o 11 6.62825e+01 2.86098e+01 8.81505e+01 172.531 -4.11997e+00 5.40109e-01  0.00000e+00 0.00000e+00 1.10535e+01 172.531 7.70970e+01 352.531 0.8692 
1 1 1 7  21 23 o 4  9.98537e+01 3.03086e+01 5.11627e+01 356.428 3.64904e+00  -2.27788e-01 0.00000e+00 0.00000e+00 9.64496e+01 356.428 4.52869e+01 356.428 0.8489 
1 1 1 7  21 24 o 9  6.38691e+01 2.63304e+01 3.55937e+01 354.063 2.12378e+00  -2.20865e-01 0.00000e+00 0.00000e+00 4.53074e+01 354.063 9.71371e+00 354.063 0.7188 
1 1 1 7  21 25 f 0  7.91543e+01 3.24544e+01 2.44237e+01 189.536 -1.40155e+00 -2.35444e-01 0.00000e+00 0.00000e+00 5.69270e+01 189.536 3.25034e+01 189.536 0.5760 
1 1 1 7  21 26 o 10 5.80331e+01 2.58739e+01 3.35017e+01 52.490  1.19695e+00  1.55933e+00  0.00000e+00 0.00000e+00 3.90832e+01 52.490  5.58159e+00 52.490  0.6921 
1 1 1 7  21 27 o 10 5.12974e+01 2.38928e+01 1.87923e+01 110.837 -4.27759e-01 1.12388e+00  0.00000e+00 0.00000e+00 2.94598e+01 110.837 1.06675e+01 110.837 0.5136 
1 1 1 7  21 28 o 5  5.67883e+01 2.57579e+01 2.56166e+01 227.754 -1.19190e+00 -1.31235e+00 0.00000e+00 0.00000e+00 4.36431e+01 227.754 1.80265e+01 227.754 0.6567 
1 1 1 7  21 29 o 7  5.06963e+01 2.42396e+01 2.21019e+01 310.058 1.00512e+00  -1.19538e+00 0.00000e+00 0.00000e+00 3.62611e+01 310.058 1.41592e+01 310.058 0.6110 
1 1 1 7  21 30 o 11 5.28547e+01 2.49800e+01 1.65709e+01 50.316  7.80383e-01  9.40525e-01  0.00000e+00 0.00000e+00 3.59448e+01 50.316  1.93739e+01 50.316  0.5196 
1 1 1 7  22 0  o 3  4.91177e+02 1.99828e+01 2.95760e+02 270.000 -9.55758e-16 -1.56087e+01 0.00000e+00 0.00000e+00 4.70155e+02 270.000 1.74395e+02 270.000 1.0000 
1 1 1 7  22 1  o 1  1.92614e+02 1.45590e+01 7.33943e+01 357.515 3.02594e+00  -1.31324e-01 0.00000e+00 0.00000e+00 1.70580e+02 357.515 9.71857e+01 357.515 0.8121 
1 1 1 7  22 2  f 0  1.86618e+02 1.36905e+01 1.72070e+02 64.753  2.99132e+00  6.34350e+00  0.00000e+00 0.00000e+00 9.75773e+01 64.753  7.44927e+01 244.753 0.9257 
1 1 1 7  22 3  o 16 2.18870e+02 1.30596e+01 1.38676e+02 231.482 -4.12112e+00 -5.17757e+00 0.00000e+00 0.00000e+00 1.76368e+02 231.482 3.76917e+01 231.482 0.9210 
1 1 1 7  22 4  o 9  1.70800e+02 1.74623e+01 7.80615e+01 119.090 -1.37294e+00 2.46767e+00  0.00000e+00 0.00000e+00 1.34819e+02 119.090 5.67574e+01 119.090 0.7961 
1 1 1 7  22 5  o 18 2.07305e+02 1.62315e+01 4.97178e+01 18.430  2.49804e+00  8.32454e-01  0.00000e+00 0.00000e+00 2.03607e+02 18.430  1.53889e+02 18.430  0.7787 
1 1 1 7  22 6  o 18 3.76668e+02 2.14224e+01 1.51634e+02 236.640 -7.64939e+00 -1.16186e+01 0.00000e+00 0.00000e+00 4.19360e+02 236.640 2.67726e+02 236.640 0.9634 
1 1 1 7  22 8  o 18 4.50774e+02 1.93683e+01 1.70048e+02 40.515  1.81895e+01  1.55437e+01  0.00000e+00 0.00000e+00 5.29209e+02 40.515  3.59161e+02 40.515  0.9789 
1 1 1 7  22 9  o 18 7.01786e+01 2.39408e+01 7.61842e+01 52.878  9.47772e-01  1.25218e+00  0.00000e+00 0.00000e+00 7.71027e+00 232.878 8.38945e+01 232.878 0.6131 
1 1 1 7  22 10 o 17 9.64006e+01 2.57625e+01 7.48732e+01 173.970 -2.32787e+00 2.45884e-01  0.00000e+00 0.00000e+00 4.02101e+01 173.970 3.46631e+01 353.970 0.7465 
1 1 1 7  22 11 o 3  8.40458e+01 2.67611e+01 3.88257e+01 229.831 -7.01672e-01 -8.31239e-01 0.00000e+00 0.00000e+00 2.55758e+01 229.831 1.32499e+01 49.831  0.4766 
1 1 1 7  22 12 o 5  5.30596e+01 2.35681e+01 1.86527e+01 206.794 -3.14748e-01 -1.58951e-01 0.00000e+00 0.00000e+00 3.75649e+00 26.794  2.24092e+01 26.794  0.1736 
1 1 1 7  22 13 o 16 1.31134e+02 2.95460e+01 8.33613e+01 9.768   4.20289e+00  7.23525e-01  0.00000e+00 0.00000e+00 1.02920e+02 9.768   1.95591e+01 9.768   0.8730 
1 1 1 7  22 14 o 1  5.93714e+01 2.63541e+01 3.14508e+01 357.301 8.11574e-01  -3.82626e-02 0.00000e+00 0.00000e+00 5.12608e+00 357.301 2.63247e+01 177.301 0.3760 
1 1 1 7  22 15 o 16 1.15645e+02 3.27951e+01 8.94065e+01 204.030 -3.45755e+00 -1.54159e+00 0.00000e+00 0.00000e+00 7.37282e+01 204.030 1.56783e+01 24.030  0.8547 
1 1 1 7  22 16 o 18 1.04486e+02 2.32146e+01 4.15712e+01 319.937 1.73671e+00  -1.46051e+00 0.00000e+00 0.00000e+00 8.65815e+01 319.937 4.50103e+01 319.937 0.7374 
1 1 1 7  22 17 o 5  1.24772e+02 3.24586e+01 8.42458e+01 37.828  3.85901e+00  2.99638e+00  0.00000e+00 0.00000e+00 1.02144e+02 37.828  1.78987e+01 37.828  0.8907 
1 1 1 7  22 18 o 3  1.11432e+02 2.25549e+01 2.77811e+01 215.412 -1.39221e+00 -9.89816e-01 0.00000e+00 0.00000e+00 9.35632e+01 215.412 6.57821e+01 215.412 0.6436 
1 1 1 7  22 19 o 18 8.37340e+01 3.01419e+01 7.82935e+01 258.291 -7.38549e-01 -3.56337e+00 0.00000e+00 0.00000e+00 4.29902e+01 258.291 3.53033e+01 78.291  0.8481 
1 1 1 7  22 20 o 14 6.70748e+01 2.82790e+01 9.90712e+01 119.919 -2.11578e+00 3.67660e+00  0.00000e+00 0.00000e+00 1.83907e+00 119.919 9.72321e+01 299.919 0.8722 
1 1 1 7  22 21 o 11 8.19971e+01 3.12452e+01 8.46339e+01 154.107 -4.03561e+00 1.95894e+00  0.00000e+00 0.00000e+00 4.11080e+01 154.107 4.35258e+01 334.107 0.8799 
1 1 1 7  22 22 o 6  4.80999e+01 2.21092e+01 4.50830e+01 256.644 -4.89643e-01 -2.06241e+00 0.00000e+00 0.00000e+00 1.56330e+01 256.644 2.94500e+01 76.644  0.7165 
1 1 1 7  22 23 o 8  6.27260e+01 2.67556e+01 1.20942e+01 335.359 6.34154e-01  -2.90887e-01 0.00000e+00 0.00000e+00 2.47012e+01 335.359 1.26071e+01 335.359 0.3292 
1 1 1 7  22 24 o 18 5.45208e+01 2.43288e+01 2.31207e+01 14.238  1.28613e+00  3.26341e-01  0.00000e+00 0.00000e+00 3.09815e+01 14.238  7.86081e+00 14.238  0.5503 
1 1 1 7  22 25 o 14 7.44452e+01 3.19500e+01 2.00419e+01 42.322  8.41040e-01  7.65877e-01  0.00000e+00 0.00000e+00 4.69573e+01 42.322  2.69154e+01 42.322  0.4930 
1 1 1 7  22 26 o 17 5.39068e+01 2.58705e+01 1.10129e+01 343.978 6.37942e-01  -1.83198e-01 0.00000e+00 0.00000e+00 2.03708e+01 343.978 9.35788e+00 343.978 0.3148 
1 1 1 7  22 27 o 18 4.65927e+01 2.22701e+01 1.88579e+01 194.181 -1.27762e+00 -3.22840e-01 0.00000e+00 0.00000e+00 2.89704e+01 194.181 1.01125e+01 194.181 0.5478 
1 1 1 7  22 28 o 18 4.40077e+01 2.14752e+01 1.63734e+01 49.893  7.73547e-01  9.18386e-01  0.00000e+00 0.00000e+00 2.65272e+01 49.893  1.01537e+01 49.893  0.5130 
1 1 1 7  22 29 o 11 4.33406e+01 2.13681e+01 2.42869e+01 69.660  6.30892e-01  1.70185e+00  0.00000e+00 0.00000e+00 3.12680e+01 69.660  6.98114e+00 69.660  0.6649 
1 1 1 7  23 0  o 2  3.87486e+02 1.88813e+01 2.45435e+02 90.000  8.74140e-16  1.42758e+01  0.00000e+00 0.00000e+00 3.73461e+02 90.000  1.28026e+02 90.000  1.0000 
1 1 1 7  23 1  o 11 5.16760e+01 2.02103e+01 1.08056e+02 27.542  1.40751e+00  7.34025e-01  0.00000e+00 0.00000e+00 5.71168e+01 207.542 1.65173e+02 207.542 0.6170 
1 1 1 7  23 2  o 8  4.96752e+02 1.44809e+01 2.34713e+02 263.829 -3.72207e+00 -3.44247e+01 0.00000e+00 0.00000e+00 5.47951e+02 263.829 3.13237e+02 263.829 0.9855 
1 1 1 7  23 3  o 13 1.92834e+02 1.42311e+01 8.42533e+01 210.244 -4.15789e+00 -2.42420e+00 0.00000e+00 0.00000e+00 1.90133e+02 210.244 1.05880e+02 210.244 0.8889 
1 1 1 7  23 4  o 12 2.36033e+02 1.87113e+01 1.39296e+02 137.877 -7.70475e+00 6.96735e+00  0.00000e+00 0.00000e+00 2.20514e+02 137.877 8.12189e+01 137.877 0.9506 
1 1 1 7  23 5  o 2  1.71012e+02 1.83911e+01 1.40039e+02 241.031 -3.64967e+00 -6.59260e+00 0.00000e+00 0.00000e+00 1.15882e+02 241.031 2.41577e+01 61.031  0.9311 
1 1 1 7  23 6  o 3  1.10652e+02 3.41479e+01 8.39803e+01 58.727  1.40232e+00  2.30883e+00  0.00000e+00 0.00000e+00 5.60625e+01 58.727  2.79178e+01 238.727 0.7852 
1 1 1 7  23 7  o 4  1.53797e+02 3.26238e+01 6.96788e+01 78.895  5.75762e-01  2.93346e+00  0.00000e+00 0.00000e+00 1.31570e+02 78.895  6.18912e+01 78.895  0.8092 
1 1 1 7  23 8  o 18 2.75788e+02 1.78120e+01 1.03460e+02 112.078 -3.55798e+00 8.77197e+00  0.00000e+00 0.00000e+00 3.19847e+02 112.078 2.16387e+02 112.078 0.9456 
1 1 1 7  23 9  o 11 2.12224e+02 2.09408e+01 1.65181e+02 92.211  -4.87024e-01 1.26138e+01  0.00000e+00 0.00000e+00 1.66781e+02 92.211  1.60076e+00 92.211  0.9595 
1 1 1 7  23 10 o 3  2.09888e+02 5.64550e+01 2.37140e+02 265.773 -7.40242e-01 -1.00157e+01 0.00000e+00 0.00000e+00 8.90635e+01 265.773 1.48076e+02 85.773  0.9488 
1 1 1 7  23 11 o 16 1.30758e+02 2.47616e+01 1.16910e+02 331.995 5.76132e+00  -3.06398e+00 0.00000e+00 0.00000e+00 8.11432e+01 331.995 3.57673e+01 151.995 0.9198 
1 1 1 7  23 12 o 13 8.28576e+01 2.97768e+01 1.04951e+02 43.463  2.58189e+00  2.44695e+00  0.00000e+00 0.00000e+00 1.08801e+01 43.463  9.40712e+01 223.463 0.8440 
1 1 1 7  23 13 o 12 6.91409e+01 2.81783e+01 5.23875e+01 27.216  1.29860e+00  6.67841e-01  0.00000e+00 0.00000e+00 1.51614e+01 27.216  3.72261e+01 207.216 0.5862 
1 1 1 7  23 14 o 2  9.06299e+01 3.14189e+01 5.49724e+01 170.265 -2.16224e+00 3.70952e-01  0.00000e+00 0.00000e+00 5.56224e+01 170.265 6.50072e-01 170.265 0.7272 
1 1 1 7  23 15 o 7  1.75369e+02 2.54573e+01 1.57240e+02 188.007 -1.52298e+01 -2.14220e+00 0.00000e+00 0.00000e+00 1.29408e+02 188.007 2.78321e+01 8.007   0.9669 
1 1 1 7  23 16 o 14 1.20845e+02 2.18675e+01 6.47744e+01 278.532 7.20706e-01  -4.80387e+00 0.00000e+00 0.00000e+00 1.18458e+02 278.532 5.36837e+01 278.532 0.8900 
1 1 1 7  23 17 o 5  9.63136e+01 2.39396e+01 3.67540e+01 338.049 1.83966e+00  -7.41433e-01 0.00000e+00 0.00000e+00 7.82487e+01 338.049 4.14947e+01 338.049 0.6950 
1 1 1 7  23 18 o 12 7.32213e+01 2.49520e+01 4.49986e+01 22.726  2.08254e+00  8.72262e-01  0.00000e+00 0.00000e+00 4.83895e+01 22.726  3.39083e+00 22.726  0.7359 
1 1 1 7  23 19 o 6  8.27317e+01 2.44004e+01 1.25676e+01 347.021 7.27028e-01  -1.67566e-01 0.00000e+00 0.00000e+00 3.79858e+01 347.021 2.54182e+01 347.021 0.3493 
1 1 1 7  23 20 o 1  7.56386e+01 2.58210e+01 3.88190e+01 151.391 -2.01207e+00 1.09744e+00  0.00000e+00 0.00000e+00 6.01139e+01 151.391 2.12949e+01 151.391 0.7403 
1 1 1 7  23 21 o 4  5.69963e+01 2.41126e+01 1.24860e+01 116.793 -3.17257e-01 6.28242e-01  0.00000e+00 0.00000e+00 2.12695e+01 116.793 8.78342e+00 116.793 0.3318 
1 1 1 7  23 22 o 8  5.12616e+01 2.33549e+01 4.01686e+01 31.724  1.82848e+00  1.13037e+00  0.00000e+00 0.00000e+00 2.65159e+01 31.724  1.36527e+01 211.724 0.7209 
1 1 1 7  23 23 o 14 4.46165e+01 2.10571e+01 1.37942e+01 79.744  1.34077e-01  7.41036e-01  0.00000e+00 0.00000e+00 1.48812e+01 79.744  1.08702e+00 79.744  0.3521 
1 1 1 7  23 24 o 9  4.72654e+01 2.21138e+01 5.78234e+00 77.991  7.41427e-02  3.48542e-01  0.00000e+00 0.00000e+00 9.52923e+00 77.991  3.74688e+00 77.991  0.1754 
1 1 1 7  23 25 o 13 4.62210e+01 2.18996e+01 6.05583e+00 268.188 -1.22735e-02 -3.87965e-01 0.00000e+00 0.00000e+00 1.04097e+01 268.188 4.35391e+00 268.188 0.1905 
1 1 1 7  23 26 o 13 5.00517e+01 2.45155e+01 1.20175e+01 277.684 1.04592e-01  -7.75201e-01 0.00000e+00 0.00000e+00 2.24864e+01 277.684 1.04689e+01 277.684 0.3640 
1 1 1 7  23 27 o 7  5.59730e+01 2.53486e+01 1.15686e+01 203.405 -7.68094e-01 -3.32456e-01 0.00000e+00 0.00000e+00 2.98674e+01 203.405 1.82988e+01 203.405 0.3857 
1 1 1 7  23 28 o 10 5.10239e+01 2.41222e+01 3.47101e+00 64.743  1.07276e-01  2.27383e-01  0.00000e+00 0.00000e+00 8.91571e+00 64.743  5.44471e+00 64.743  0.1247 
1 1 1 7  24 0  o 6  5.45782e+01 3.02276e+01 5.96129e+01 270.000 -3.23569e-17 -5.28428e-01 0.00000e+00 0.00000e+00 1.63347e+01 90.000  7.59476e+01 90.000  0.4842 
1 1 1 7  24 1  o 2  4.57495e+01 1.94431e+01 8.06680e+01 127.116 -7.38334e-01 9.75688e-01  0.00000e+00 0.00000e+00 4.16954e+01 307.116 1.22363e+02 307.116 0.5200 
1 1 1 7  24 2  o 18 1.40314e+02 2.26734e+01 1.13167e+02 199.439 -4.77723e+00 -1.68596e+00 0.00000e+00 0.00000e+00 9.26839e+01 199.439 2.04830e+01 19.439  0.8949 
1 1 1 7  24 3  o 6  2.01069e+02 1.46012e+01 1.19835e+02 71.147  2.68606e+00  7.86659e+00  0.00000e+00 0.00000e+00 1.89672e+02 71.147  6.98374e+01 71.147  0.9378 
1 1 1 7  24 4  o 10 1.34492e+02 2.27902e+01 1.14995e+02 124.695 -3.14469e+00 4.54238e+00  0.00000e+00 0.00000e+00 8.49894e+01 124.695 3.00060e+01 304.695 0.9043 
1 1 1 7  24 5  o 1  2.91045e+02 1.67749e+01 1.58801e+02 277.873 2.41561e+00  -1.74696e+01 0.00000e+00 0.00000e+00 3.07065e+02 277.873 1.48264e+02 277.873 0.9712 
1 1 1 7  24 6  o 15 1.27758e+02 3.38459e+01 4.77904e+01 79.574  3.40109e-01  1.84830e+00  0.00000e+00 0.00000e+00 9.51383e+01 79.574  4.73478e+01 79.574  0.6769 
1 1 1 7  24 7  o 1  1.88750e+02 3.55094e+01 1.29413e+02 45.319  5.09701e+00  5.15405e+00  0.00000e+00 0.00000e+00 1.61087e+02 45.319  3.16741e+01 45.319  0.9282 
1 1 1 7  24 8  o 2  1.03809e+02 3.65887e+01 8.14674e+01 351.074 2.85391e+00  -4.48252e-01 0.00000e+00 0.00000e+00 5.70009e+01 351.074 2.44665e+01 171.074 0.8014 
1 1 1 7  24 9  o 3  1.32077e+02 5.30180e+01 1.05442e+02 163.266 -3.30940e+00 9.95005e-01  0.00000e+00 0.00000e+00 7.97314e+01 163.266 2.57110e+01 343.266 0.8388 
1 1 1 7  24 10 o 8  1.57375e+02 2.06718e+01 1.28223e+02 296.983 4.38080e+00  -8.60417e+00 0.00000e+00 0.00000e+00 1.22012e+02 296.983 6.21101e+00 116.983 0.9467 
1 1 1 7  24 11 o 17 1.89296e+02 2.01822e+01 1.20765e+02 240.631 -5.21654e+00 -9.26961e+00 0.00000e+00 0.00000e+00 1.83441e+02 240.631 6.26763e+01 240.631 0.9518 
1 1 1 7  24 12 o 5  7.04914e+01 2.75985e+01 1.07008e+01 241.227 -1.74980e-01 -3.18637e-01 0.00000e+00 0.00000e+00 1.07071e+01 241.227 6.28204e-03 241.227 0.1788 
1 1 1 7  24 13 f 0  5.71151e+01 2.52768e+01 2.88111e+01 15.056  8.10862e-01  2.18117e-01  0.00000e+00 0.00000e+00 8.93731e+00 15.056  1.98738e+01 195.056 0.3867 
1 1 1 7  24 14 o 3  1.03270e+02 3.43335e+01 8.93273e+01 139.701 -3.19707e+00 2.71126e+00  0.00000e+00 0.00000e+00 6.53616e+01 139.701 2.39658e+01 319.701 0.8705 
1 1 1 7  24 15 f 0  7.25659e+01 2.92940e+01 5.55872e+00 52.394  1.17198e-01  1.52152e-01  0.00000e+00 0.00000e+00 6.46451e+00 52.394  9.05792e-01 52.394  0.0956 
1 1 1 7  24 16 o 13 4.78285e+01 2.07062e+01 4.11193e+01 42.710  1.04869e+00  9.68054e-01  0.00000e+00 0.00000e+00 7.14258e+00 42.710  3.39768e+01 222.710 0.5776 
1 1 1 7  24 17 o 15 1.02310e+02 2.35087e+01 4.88160e+01 266.237 -2.44187e-01 -3.71316e+00 0.00000e+00 0.00000e+00 1.04713e+02 266.237 5.58969e+01 266.237 0.8519 
1 1 1 7  24 18 o 12 6.48746e+01 2.43400e+01 1.29345e+01 146.537 -5.30482e-01 3.50621e-01  0.00000e+00 0.00000e+00 2.19859e+01 146.537 9.05131e+00 146.537 0.3029 
1 1 1 7  24 19 o 10 5.19290e+01 2.43310e+01 1.02164e+02 116.947 -2.08811e+00 4.10751e+00  0.00000e+00 0.00000e+00 1.98724e+01 296.947 1.22036e+02 296.947 0.8834 
1 1 1 7  24 20 o 19 5.18253e+01 2.26326e+01 4.39927e+01 173.493 -2.37616e+00 2.71013e-01  0.00000e+00 0.00000e+00 2.66711e+01 173.493 1.73217e+01 353.493 0.7527 
1 1 1 7  24 21 o 9  6.95422e+01 2.97068e+01 9.48771e+01 289.809 1.76042e+00  -4.88730e+00 0.00000e+00 0.00000e+00 1.93914e+01 289.809 7.54857e+01 109.809 0.8977 
1 1 1 7  24 22 o 18 5.54907e+01 2.48202e+01 2.69079e+01 290.550 5.44357e-01  -1.45206e+00 0.00000e+00 0.00000e+00 3.55636e+01 290.550 8.65575e+00 290.550 0.6084 
1 1 1 7  24 23 o 9  9.15990e+01 2.78293e+01 3.02517e+01 7.843   2.64645e+00  3.64547e-01  0.00000e+00 0.00000e+00 1.03874e+02 7.843   7.36228e+01 7.843   0.7824 
1 1 1 7  24 24 o 11 4.92177e+01 2.27157e+01 4.84951e+01 39.176  2.43883e+00  1.98737e+00  0.00000e+00 0.00000e+00 2.79558e+01 39.176  2.05394e+01 219.176 0.8202 
1 1 1 7  24 25 o 7  6.70513e+01 2.74283e+01 4.00616e+01 165.499 -2.83012e+00 7.31993e-01  0.00000e+00 0.00000e+00 6.33183e+01 165.499 2.32567e+01 165.499 0.8041 
1 1 1 7  24 26 o 12 5.56110e+01 2.68117e+01 1.12260e+01 163.012 -6.99694e-01 2.13759e-01  0.00000e+00 0.00000e+00 2.58553e+01 163.012 1.46293e+01 163.012 0.3433 
1 1 1 7  24 27 o 10 4.29855e+01 2.09516e+01 6.65699e+00 41.759  3.75440e-01  3.35201e-01  0.00000e+00 0.00000e+00 1.39876e+01 41.759  7.33058e+00 41.759  0.2440 
1 1 1 7  25 0  o 8  4.87724e+01 2.88474e+01 3.98531e+01 270.000 3.98518e-08  -4.55852e-01 0.00000e+00 0.00000e+00 4.86787e+00 90.000  4.47209e+01 90.000  0.4267 
1 1 1 7  25 1  o 6  9.50795e+01 2.18939e+01 8.66306e+01 182.470 -3.76356e+00 -1.62378e-01 0.00000e+00 0.00000e+00 4.98929e+01 182.470 3.67377e+01 2.470   0.8539 
1 1 1 7  25 2  o 8  1.59406e+02 1.63696e+01 1.29910e+02 60.620  5.04734e+00  8.96501e+00  0.00000e+00 0.00000e+00 1.24945e+02 60.620  4.96509e+00 240.620 0.9501 
1 1 1 7  25 3  o 10 1.37761e+02 1.76163e+01 1.24121e+02 35.689  6.75744e+00  4.85366e+00  0.00000e+00 0.00000e+00 9.35612e+01 35.689  3.05599e+01 215.689 0.9378 
1 1 1 7  25 4  o 13 2.11960e+02 1.85377e+01 1.08628e+02 249.657 -3.82496e+00 -1.03164e+01 0.00000e+00 0.00000e+00 2.32468e+02 249.657 1.23840e+02 249.657 0.9534 
1 1 1 7  25 5  o 18 4.52723e+01 2.09448e+01 2.10471e+01 4.478   4.67395e-01  3.66048e-02  0.00000e+00 0.00000e+00 3.56971e+00 184.478 2.46168e+01 184.478 0.2282 
1 1 1 7  25 6  o 9  6.84759e+01 2.91973e+01 7.30278e+01 212.880 -1.73175e+00 -1.11948e+00 0.00000e+00 0.00000e+00 9.18261e+00 212.880 6.38452e+01 32.880  0.7077 
1 1 1 7  25 7  o 9  8.95128e+01 3.40774e+01 7.52064e+01 152.546 -2.20834e+00 1.14731e+00  0.00000e+00 0.00000e+00 4.11507e+01 152.546 3.40556e+01 332.546 0.7638 
1 1 1 7  25 9  o 19 1.26378e+02 2.52607e+01 9.85429e+01 291.986 2.38729e+00  -5.91297e+00 0.00000e+00 0.00000e+00 1.00479e+02 291.986 1.93634e+00 291.986 0.9178 
1 1 1 7  25 10 o 13 7.41753e+01 2.44766e+01 4.23760e+01 107.467 -4.95812e-01 1.57566e+00  0.00000e+00 0.00000e+00 3.83783e+01 107.467 3.99763e+00 287.467 0.6315 
1 1 1 7  25 11 o 11 6.10198e+01 2.49852e+01 3.77733e+01 132.149 -8.77708e-01 9.69700e-01  0.00000e+00 0.00000e+00 1.98591e+01 132.149 1.79142e+01 312.149 0.5449 
1 1 1 7  25 12 o 3  1.28871e+02 2.77227e+01 8.61270e+01 203.929 -5.49794e+00 -2.43966e+00 0.00000e+00 0.00000e+00 1.18890e+02 203.929 3.27632e+01 203.929 0.9126 
1 1 1 7  25 13 o 3  7.79920e+01 2.89891e+01 7.83616e+01 97.399  -3.78776e-01 2.91662e+00  0.00000e+00 0.00000e+00 3.18516e+01 97.399  4.65101e+01 277.399 0.8055 
1 1 1 7  25 14 o 10 5.57339e+01 2.47958e+01 2.43129e+01 102.307 -1.88431e-01 8.63739e-01  0.00000e+00 0.00000e+00 1.54378e+01 102.307 8.87508e+00 282.307 0.4038 
1 1 1 7  25 15 o 16 7.87395e+01 2.93050e+01 9.00889e+01 313.001 2.90066e+00  -3.11044e+00 0.00000e+00 0.00000e+00 3.21576e+01 313.001 5.79313e+01 133.001 0.8726 
1 1 1 7  25 16 o 13 6.27058e+01 2.64865e+01 9.14250e+00 50.415  2.59360e-01  3.13677e-01  0.00000e+00 0.00000e+00 1.32795e+01 50.415  4.13697e+00 50.415  0.1994 
1 1 1 7  25 17 o 13 5.68911e+01 2.63612e+01 4.34362e+01 87.794  7.29235e-02  1.89310e+00  0.00000e+00 0.00000e+00 2.64806e+01 87.794  1.69556e+01 267.794 0.6797 
1 1 1 7  25 18 o 11 8.74151e+01 2.53024e+01 4.90205e+01 357.956 3.70122e+00  -1.32065e-01 0.00000e+00 0.00000e+00 8.66940e+01 357.956 3.76735e+01 357.956 0.8511 
1 1 1 7  25 19 o 18 4.52289e+01 2.05980e+01 7.84156e+00 111.761 -1.59558e-01 3.99719e-01  0.00000e+00 0.00000e+00 9.67732e+00 111.761 1.83577e+00 111.761 0.2104 
1 1 1 7  25 20 o 11 3.94394e+01 1.88584e+01 1.23048e+01 177.412 -6.39761e-01 2.89149e-02  0.00000e+00 0.00000e+00 1.00514e+01 177.412 2.25340e+00 357.412 0.3048 
1 1 1 7  25 21 f 0  7.59251e+01 2.70224e+01 3.78913e+01 116.223 -1.18127e+00 2.39819e+00  0.00000e+00 0.00000e+00 7.37478e+01 116.223 3.58565e+01 116.223 0.7826 
1 1 1 7  25 22 o 14 7.75006e+01 2.87392e+01 2.81374e+01 256.927 -4.50689e-01 -1.94081e+00 0.00000e+00 0.00000e+00 7.43905e+01 256.927 4.62531e+01 256.927 0.6965 
1 1 1 7  25 23 o 13 7.68631e+01 2.81676e+01 3.31968e+01 310.526 1.60440e+00  -1.87679e+00 0.00000e+00 0.00000e+00 7.92549e+01 310.526 4.60580e+01 310.526 0.7616 
1 1 1 7  25 24 o 7  4.52002e+01 2.15078e+01 9.34825e+00 158.427 -6.08842e-01 2.40725e-01  0.00000e+00 0.00000e+00 1.79758e+01 158.427 8.62751e+00 158.427 0.3110 
1 1 1 7  25 25 o 10 5.78848e+01 2.54112e+01 3.74626e+00 303.806 1.52332e-01  -2.27501e-01 0.00000e+00 0.00000e+00 1.17047e+01 303.806 7.95847e+00 303.806 0.1356 
1 1 1 7  25 26 o 1  5.14905e+01 2.38363e+01 2.09065e+01 86.459  9.48024e-02  1.53187e+00  0.00000e+00 0.00000e+00 4.11566e+01 86.459  2.02502e+01 86.459  0.6046 
1 1 1 7  26 0  o 1  9.64651e+01 3.40620e+01 1.48362e+02 90.000  -2.77241e-07 3.17127e+00  0.00000e+00 0.00000e+00 1.76890e+01 90.000  1.30673e+02 270.000 0.9965 
1 1 1 7  26 1  o 4  9.63694e+01 2.18908e+01 7.29337e+01 33.923  2.68696e+00  1.80714e+00  0.00000e+00 0.00000e+00 6.46321e+01 33.923  8.30155e+00 213.923 0.8262 
1 1 1 7  26 2  o 8  1.31956e+02 1.82862e+01 9.95874e+01 283.236 1.46833e+00  -6.24278e+00 0.00000e+00 0.00000e+00 1.09953e+02 283.236 1.03658e+01 283.236 0.9183 
1 1 1 7  26 3  o 5  4.82719e+01 2.05131e+01 3.03177e+01 200.548 -6.43384e-01 -2.41160e-01 0.00000e+00 0.00000e+00 3.17660e+00 20.548  3.34943e+01 20.548  0.3247 
1 1 1 7  26 4  f 0  1.07722e+02 2.87856e+01 4.56836e+01 0.657   1.97446e+00  2.26450e-02  0.00000e+00 0.00000e+00 8.38960e+01 0.657   3.82124e+01 0.657   0.6936 
1 1 1 7  26 5  o 11 5.52679e+01 2.43444e+01 8.93759e+01 97.245  -3.26885e-01 2.57117e+00  0.00000e+00 0.00000e+00 1.49533e+01 277.245 1.04329e+02 277.245 0.7746 
1 1 1 7  26 6  o 14 7.99106e+01 2.82402e+01 7.15005e+01 113.379 -1.10056e+00 2.54578e+00  0.00000e+00 0.00000e+00 3.87872e+01 113.379 3.27133e+01 293.379 0.7917 
1 1 1 7  26 7  o 2  6.08765e+01 2.75554e+01 7.82243e+01 245.833 -9.55752e-01 -2.12988e+00 0.00000e+00 0.00000e+00 1.17118e+00 245.833 7.70532e+01 65.833  0.7457 
1 1 1 7  26 8  o 17 8.27907e+01 2.63275e+01 2.33673e+01 263.248 -1.25261e-01 -1.05796e+00 0.00000e+00 0.00000e+00 4.48077e+01 263.248 2.14404e+01 263.248 0.4691 
1 1 1 7  26 9  o 7  1.09981e+02 2.28653e+01 3.33992e+01 207.725 -2.00836e+00 -1.05553e+00 0.00000e+00 0.00000e+00 1.09573e+02 207.725 7.61740e+01 207.725 0.7373 
1 1 1 7  26 10 o 1  4.72036e+01 2.08919e+01 6.36002e+01 223.613 -1.27596e+00 -1.21565e+00 0.00000e+00 0.00000e+00 8.85851e+00 43.613  7.24587e+01 43.613  0.6546 
1 1 1 7  26 11 o 16 7.91195e+01 2.68562e+01 4.06003e+01 66.388  6.80660e-01  1.55705e+00  0.00000e+00 0.00000e+00 4.98182e+01 66.388  9.21792e+00 66.388  0.6417 
1 1 1 7  26 12 o 9  8.50987e+01 2.77802e+01 8.19853e+01 37.535  3.30834e+00  2.54177e+00  0.00000e+00 0.00000e+00 5.06088e+01 37.535  3.13765e+01 217.535 0.8698 
1 1 1 7  26 13 o 8  9.86586e+01 2.76321e+01 7.56711e+01 141.376 -3.68642e+00 2.94535e+00  0.00000e+00 0.00000e+00 8.19744e+01 141.376 6.30329e+00 141.376 0.8864 
1 1 1 7  26 14 o 1  6.60966e+01 2.81592e+01 6.57130e+01 267.151 -1.44994e-01 -2.91329e+00 0.00000e+00 0.00000e+00 3.06942e+01 267.151 3.50187e+01 87.151  0.8036 
1 1 1 7  26 15 o 14 6.77023e+01 2.74067e+01 6.52252e+01 329.064 2.79984e+00  -1.67809e+00 0.00000e+00 0.00000e+00 3.72345e+01 329.064 2.79907e+01 149.064 0.8278 
1 1 1 7  26 16 o 13 6.19474e+01 2.64305e+01 2.19213e+01 84.593  1.05977e-01  1.11973e+00  0.00000e+00 0.00000e+00 3.38781e+01 84.593  1.19568e+01 84.593  0.4888 
1 1 1 7  26 17 o 2  6.14120e+01 2.66969e+01 3.04566e+01 249.139 -5.83964e-01 -1.53235e+00 0.00000e+00 0.00000e+00 4.12983e+01 249.139 1.08417e+01 249.139 0.6289 
1 1 1 7  26 18 o 14 5.49820e+01 2.30683e+01 4.19049e+01 87.336  1.12733e-01  2.42309e+00  0.00000e+00 0.00000e+00 3.60797e+01 87.336  5.82523e+00 267.336 0.7567 
1 1 1 7  26 19 o 9  7.68988e+01 2.58237e+01 3.86764e+01 249.712 -1.00199e+00 -2.71042e+00 0.00000e+00 0.00000e+00 7.79379e+01 249.712 3.92615e+01 249.712 0.8015 
1 1 1 7  26 20 o 7  6.61879e+01 2.63106e+01 4.98262e+01 292.815 1.24945e+00  -2.97009e+00 0.00000e+00 0.00000e+00 5.45310e+01 292.815 4.70478e+00 292.815 0.8252 
1 1 1 7  26 21 o 10 5.30765e+01 2.38062e+01 1.20702e+01 268.158 -2.58010e-02 -8.02276e-01 0.00000e+00 0.00000e+00 2.60638e+01 268.158 1.39936e+01 268.158 0.3721 
1 1 1 7  26 22 o 17 6.06362e+01 2.53149e+01 2.61318e+01 53.482  1.05409e+00  1.42360e+00  0.00000e+00 0.00000e+00 5.15501e+01 53.482  2.54183e+01 53.482  0.6564 
1 1 1 7  26 23 o 13 6.26666e+01 2.62301e+01 3.99619e+01 102.499 -6.15366e-01 2.77606e+00  0.00000e+00 0.00000e+00 5.87149e+01 102.499 1.87530e+01 102.499 0.7977 
1 1 1 7  26 24 o 12 5.72719e+01 2.52505e+01 2.20321e+01 206.700 -1.42354e+00 -7.15980e-01 0.00000e+00 0.00000e+00 4.87124e+01 206.700 2.66803e+01 206.700 0.6184 
1 1 1 7  26 25 o 1  5.85656e+01 2.56859e+01 2.06511e+01 326.619 1.29413e+00  -8.52711e-01 0.00000e+00 0.00000e+00 5.13834e+01 326.619 3.07323e+01 326.619 0.6082 
1 1 1 7  27 0  o 3  7.43483e+01 3.46108e+01 7.38065e+00 90.000  9.75534e-18  1.59317e-01  0.00000e+00 0.00000e+00 1.34907e+01 90.000  6.11005e+00 90.000  0.1580 
1 1 1 7  27 1  o 14 3.80816e+01 1.76979e+01 1.75238e+01 168.515 -4.45160e-01 9.04491e-02  0.00000e+00 0.00000e+00 2.53386e+00 348.515 2.00576e+01 348.515 0.2215 
1 1 1 7  27 2  o 12 5.47830e+01 2.16820e+01 3.80284e+01 315.124 9.16438e-01  -9.12473e-01 0.00000e+00 0.00000e+00 1.46609e+01 315.124 2.33675e+01 135.124 0.5407 
1 1 1 7  27 3  o 9  5.26569e+01 2.17181e+01 5.72645e+01 277.131 2.31576e-01  -1.85111e+00 0.00000e+00 0.00000e+00 5.98185e+00 277.131 5.12827e+01 97.131  0.6744 
1 1 1 7  27 4  o 4  9.30372e+01 2.88998e+01 7.01331e+01 214.479 -2.85229e+00 -1.95877e+00 0.00000e+00 0.00000e+00 6.91306e+01 214.479 1.00247e+00 34.479  0.8390 
1 1 1 7  27 5  o 6  3.77158e+01 1.84062e+01 1.20349e+01 188.308 -3.09851e-01 -4.52463e-02 0.00000e+00 0.00000e+00 1.60290e+00 8.308   1.36378e+01 8.308   0.1547 
1 1 1 7  27 6  o 5  1.09276e+02 2.75281e+01 8.86766e+01 70.991  1.59618e+00  4.63339e+00  0.00000e+00 0.00000e+00 8.59165e+01 70.991  2.76014e+00 250.991 0.8910 
1 1 1 7  27 7  o 13 6.98373e+01 2.91870e+01 6.33616e+01 82.663  2.72525e-01  2.11651e+00  0.00000e+00 0.00000e+00 2.69219e+01 82.663  3.64397e+01 262.663 0.7186 
1 1 1 7  27 8  o 17 1.02452e+02 4.11112e+01 4.95247e+01 258.626 -3.62451e-01 -1.80170e+00 0.00000e+00 0.00000e+00 7.42959e+01 258.626 2.47712e+01 258.626 0.6693 
1 1 1 7  27 9  o 3  4.71669e+01 2.05471e+01 2.99629e+01 327.880 8.86363e-01  -5.56440e-01 0.00000e+00 0.00000e+00 9.61226e+00 327.880 2.03507e+01 147.880 0.4626 
1 1 1 7  27 10 o 4  5.46111e+01 2.27015e+01 4.30338e+01 185.959 -1.73319e+00 -1.80913e-01 0.00000e+00 0.00000e+00 2.17173e+01 185.959 2.13166e+01 5.959   0.6506 
1 1 1 7  27 11 o 18 8.67684e+01 2.67901e+01 6.59362e+01 120.693 -1.96656e+00 3.31294e+00  0.00000e+00 0.00000e+00 7.03880e+01 120.693 4.45181e+00 120.693 0.8576 
1 1 1 7  27 12 o 12 6.66825e+01 2.65692e+01 1.04171e+02 38.042  3.87084e+00  3.02875e+00  0.00000e+00 0.00000e+00 5.35405e+00 38.042  9.88167e+01 218.042 0.8914 
1 1 1 7  27 13 o 10 6.57007e+01 2.68246e+01 6.25542e+01 268.137 -1.00732e-01 -3.09701e+00 0.00000e+00 0.00000e+00 3.69824e+01 268.137 2.55718e+01 88.137  0.8170 
1 1 1 7  27 14 o 5  5.53787e+01 2.45504e+01 4.83654e+01 272.405 1.00416e-01  -2.39050e+00 0.00000e+00 0.00000e+00 2.94660e+01 272.405 1.88993e+01 92.405  0.7528 
1 1 1 7  27 15 o 1  4.61945e+01 2.18067e+01 2.09645e+01 123.787 -5.86073e-01 8.75896e-01  0.00000e+00 0.00000e+00 1.94468e+01 123.787 1.51767e+00 303.787 0.4652 
1 1 1 7  27 16 o 5  7.19324e+01 2.87417e+01 3.65739e+01 101.254 -4.18458e-01 2.10293e+00  0.00000e+00 0.00000e+00 6.16041e+01 101.254 2.50302e+01 101.254 0.7201 
1 1 1 7  27 17 o 5  5.32463e+01 2.47831e+01 1.99650e+01 353.921 1.08019e+00  -1.15035e-01 0.00000e+00 0.00000e+00 2.84903e+01 353.921 8.52525e+00 353.921 0.4761 
1 1 1 7  27 18 f 0  5.02054e+01 2.37000e+01 5.62687e+01 192.891 -2.98557e+00 -6.83291e-01 0.00000e+00 0.00000e+00 2.25823e+01 192.891 3.36864e+01 12.891  0.8145 
1 1 1 7  27 19 o 6  5.50680e+01 2.33942e+01 1.88211e+01 357.027 1.24011e+00  -6.44014e-02 0.00000e+00 0.00000e+00 3.75045e+01 357.027 1.86835e+01 357.027 0.5255 
1 1 1 7  27 20 o 10 4.24811e+01 2.01358e+01 1.18915e+01 309.475 4.87545e-01  -5.91962e-01 0.00000e+00 0.00000e+00 1.79811e+01 309.475 6.08961e+00 309.475 0.3578 
1 1 1 7  27 21 o 10 3.65368e+01 1.80836e+01 1.15601e+01 199.959 -7.10054e-01 -2.57866e-01 0.00000e+00 0.00000e+00 1.40612e+01 199.959 2.50115e+00 199.959 0.3531 
1 1 1 7  27 22 o 18 5.54708e+01 2.42429e+01 1.10561e+01 331.941 7.32475e-01  -3.90435e-01 0.00000e+00 0.00000e+00 3.15901e+01 331.941 2.05340e+01 331.941 0.3829 
1 1 1 7  27 23 o 7  4.58425e+01 2.15097e+01 2.92249e-01 335.345 1.98735e-02  -9.12206e-03 0.00000e+00 0.00000e+00 7.25424e-01 335.345 4.33175e-01 335.345 0.0109 
1 1 1 7  27 24 o 10 5.09141e+01 2.38948e+01 4.84524e+00 72.692  1.05036e-01  3.37071e-01  0.00000e+00 0.00000e+00 1.33403e+01 72.692  8.49507e+00 72.692  0.1738 
1 1 1 7  28 0  o 5  3.30268e+01 2.25928e+01 3.06342e+01 270.000 -2.13403e-17 -3.48514e-01 0.00000e+00 0.00000e+00 1.03858e+01 90.000  4.10201e+01 90.000  0.3351 
1 1 1 7  28 1  o 18 6.27071e+01 2.28036e+01 3.21539e+01 270.090 1.87657e-03  -1.18986e+00 0.00000e+00 0.00000e+00 2.63368e+01 270.090 5.81712e+00 90.090  0.5096 
1 1 1 7  28 2  o 14 1.15627e+02 2.62219e+01 1.24155e+02 152.030 -6.85212e+00 3.63879e+00  0.00000e+00 0.00000e+00 7.34723e+01 152.030 5.06824e+01 332.030 0.9331 
1 1 1 7  28 3  o 4  5.94917e+01 2.66035e+01 1.31810e+02 93.722  -3.18257e-01 4.89249e+00  0.00000e+00 0.00000e+00 3.45883e+01 273.722 1.66398e+02 273.722 0.8911 
1 1 1 7  28 4  o 16 6.72441e+01 2.63044e+01 8.92501e+01 353.874 3.75413e+00  -4.02955e-01 0.00000e+00 0.00000e+00 1.62920e+01 353.874 7.29581e+01 173.874 0.8543 
1 1 1 7  28 5  o 8  9.80365e+01 2.78942e+01 6.00149e+01 282.171 7.40649e-01  -3.43415e+00 0.00000e+00 0.00000e+00 9.19465e+01 282.171 3.19316e+01 282.171 0.8418 
1 1 1 7  28 6  f 0  5.77184e+01 2.50479e+01 4.84987e+01 198.602 -1.83428e+00 -6.17374e-01 0.00000e+00 0.00000e+00 2.47062e+01 198.602 2.37925e+01 18.602  0.6869 
1 1 1 7  28 7  o 14 7.23545e+01 3.38299e+01 6.44356e+01 163.724 -2.38912e+00 6.97534e-01  0.00000e+00 0.00000e+00 3.79423e+01 163.724 2.64933e+01 343.724 0.7638 
1 1 1 7  28 8  o 17 1.07761e+02 3.41428e+01 4.23416e+01 39.158  1.85915e+00  1.51399e+00  0.00000e+00 0.00000e+00 1.08629e+02 39.158  6.62879e+01 39.158  0.7534 
1 1 1 7  28 9  o 8  6.53210e+01 2.41740e+01 2.70753e+01 234.962 -7.81887e-01 -1.11506e+00 0.00000e+00 0.00000e+00 4.12507e+01 234.962 1.41754e+01 234.962 0.5601 
1 1 1 7  28 10 o 19 7.59142e+01 2.61224e+01 3.82631e+01 350.529 2.22267e+00  -3.70781e-01 0.00000e+00 0.00000e+00 6.64835e+01 350.529 2.82204e+01 350.529 0.7353 
1 1 1 7  28 11 o 10 1.14240e+02 2.54278e+01 6.71420e+01 30.943  5.48382e+00  3.28762e+00  0.00000e+00 0.00000e+00 1.30716e+02 30.943  6.35736e+01 30.943  0.9181 
1 1 1 7  28 12 o 17 4.34230e+01 2.06988e+01 4.03174e+01 204.222 -1.66548e+00 -7.49266e-01 0.00000e+00 0.00000e+00 1.46457e+01 204.222 2.56717e+01 24.222  0.6671 
1 1 1 7  28 13 o 5  6.77610e+01 2.73723e+01 6.40403e+01 248.675 -1.39543e+00 -3.57455e+00 0.00000e+00 0.00000e+00 4.68401e+01 248.675 1.72002e+01 68.675  0.8570 
1 1 1 7  28 14 o 14 4.43347e+01 2.11899e+01 3.56964e+01 17.345  1.73553e+00  5.42065e-01  0.00000e+00 0.00000e+00 2.10310e+01 17.345  1.46654e+01 197.345 0.6655 
1 1 1 7  28 15 o 13 5.31306e+01 2.42872e+01 2.15103e+01 59.046  6.13881e-01  1.02354e+00  0.00000e+00 0.00000e+00 3.10452e+01 59.046  9.53494e+00 59.046  0.5108 
1 1 1 7  28 16 o 19 5.89156e+01 2.61642e+01 1.33773e+01 117.594 -3.49939e-01 6.69530e-01  0.00000e+00 0.00000e+00 2.72291e+01 117.594 1.38517e+01 117.594 0.3531 
1 1 1 7  28 17 o 12 6.76287e+01 2.84950e+01 3.19634e+01 74.784  5.17545e-01  1.90283e+00  0.00000e+00 0.00000e+00 6.02922e+01 74.784  2.83288e+01 74.784  0.6931 
1 1 1 7  28 18 o 16 8.33456e+01 3.11232e+01 5.17999e+01 233.585 -2.10516e+00 -2.85376e+00 0.00000e+00 0.00000e+00 8.77881e+01 233.585 3.59882e+01 233.585 0.8435 
1 1 1 7  28 19 o 7  8.30404e+01 2.76250e+01 4.96851e+01 235.353 -2.35776e+00 -3.41176e+00 0.00000e+00 0.00000e+00 9.49346e+01 235.353 4.52495e+01 235.353 0.8690 
1 1 1 7  28 20 o 16 8.86705e+01 2.82302e+01 4.69885e+01 18.822  3.93309e+00  1.34060e+00  0.00000e+00 0.00000e+00 1.09014e+02 18.822  6.20254e+01 18.822  0.8692 
1 1 1 7  28 21 o 5  4.80561e+01 2.22273e+01 2.05367e+01 78.992  2.87350e-01  1.47714e+00  0.00000e+00 0.00000e+00 3.81666e+01 78.992  1.76299e+01 78.992  0.5973 
1 1 1 7  28 22 o 18 5.34862e+01 2.38404e+01 1.86554e+01 137.723 -1.02945e+00 9.35987e-01  0.00000e+00 0.00000e+00 4.41622e+01 137.723 2.55068e+01 137.723 0.5681 
1 1 1 7  28 23 o 10 4.19777e+01 2.02304e+01 5.99560e+00 241.027 -2.26530e-01 -4.09126e-01 0.00000e+00 0.00000e+00 1.39867e+01 241.027 7.99107e+00 241.027 0.2277 
1 1 1 7  29 0  o 1  3.01447e+01 2.10297e+01 4.40519e+01 90.000  3.99728e-17  6.52806e-01  0.00000e+00 0.00000e+00 1.14389e+01 270.000 5.54908e+01 270.000 0.5736 
1 1 1 7  29 1  o 13 5.28185e+01 2.18641e+01 3.50427e+01 24.563  1.33614e+00  6.10675e-01  0.00000e+00 0.00000e+00 2.35938e+01 24.563  1.14489e+01 204.563 0.5884 
1 1 1 7  29 2  o 18 6.12021e+01 2.27921e+01 6.84265e+01 306.937 2.04763e+00  -2.72356e+00 0.00000e+00 0.00000e+00 2.81955e+01 306.937 4.02310e+01 126.937 0.8361 
1 1 1 7  29 3  o 1  8.13208e+01 2.38816e+01 7.45411e+01 194.378 -4.58923e+00 -1.17644e+00 0.00000e+00 0.00000e+00 6.18154e+01 194.378 1.27258e+01 14.378  0.8869 
1 1 1 7  29 4  o 12 3.38772e+01 1.64319e+01 3.41640e+01 67.890  4.36258e-01  1.07386e+00  0.00000e+00 0.00000e+00 2.08880e+00 247.890 3.62528e+01 247.890 0.4999 
1 1 1 7  29 5  o 2  6.35401e+01 2.61715e+01 8.48205e+01 50.561  2.65979e+00  3.23365e+00  0.00000e+00 0.00000e+00 2.01534e+01 50.561  6.46671e+01 230.561 0.8703 
1 1 1 7  29 6  o 11 4.78498e+01 2.18479e+01 2.64392e+01 178.462 -1.15530e+00 3.10133e-02  0.00000e+00 0.00000e+00 1.89963e+01 178.462 7.44285e+00 358.462 0.4988 
1 1 1 7  29 7  o 1  8.99658e+01 3.98758e+01 8.08019e+01 275.899 3.56060e-01  -3.44604e+00 0.00000e+00 0.00000e+00 6.33845e+01 275.899 1.74174e+01 95.899  0.8392 
1 1 1 7  29 8  o 19 4.55406e+01 2.20630e+01 7.11285e+01 62.086  1.50478e+00  2.84033e+00  0.00000e+00 0.00000e+00 8.63924e-01 62.086  7.02646e+01 242.086 0.8247 
1 1 1 7  29 9  o 12 9.30961e+01 2.59022e+01 7.77649e+01 147.091 -5.51508e+00 3.56909e+00  0.00000e+00 0.00000e+00 8.71937e+01 147.091 9.42879e+00 147.091 0.9204 
1 1 1 7  29 10 o 5  8.20749e+01 2.73068e+01 4.74817e+01 256.384 -8.11558e-01 -3.35037e+00 0.00000e+00 0.00000e+00 8.56145e+01 256.384 3.81328e+01 256.384 0.8383 
1 1 1 7  29 11 o 11 7.13945e+01 2.72514e+01 6.29725e+01 335.063 3.53497e+00  -1.64365e+00 0.00000e+00 0.00000e+00 5.63621e+01 335.063 6.61044e+00 155.063 0.8595 
1 1 1 7  29 12 o 14 4.93064e+01 2.10262e+01 2.74124e+01 244.039 -7.07268e-01 -1.45260e+00 0.00000e+00 0.00000e+00 3.27156e+01 244.039 5.30315e+00 244.039 0.6234 
1 1 1 7  29 13 f 0  5.79697e+01 2.53880e+01 2.13855e+01 207.939 -1.07710e+00 -5.71242e-01 0.00000e+00 0.00000e+00 3.78009e+01 207.939 1.64154e+01 207.939 0.5187 
1 1 1 7  29 14 o 4  5.39589e+01 2.42662e+01 2.98190e+01 80.467  2.79243e-01  1.66282e+00  0.00000e+00 0.00000e+00 3.85024e+01 80.467  8.68346e+00 80.467  0.6389 
1 1 1 7  29 15 o 3  5.76233e+01 2.57089e+01 3.61733e+01 137.502 -1.61263e+00 1.47762e+00  0.00000e+00 0.00000e+00 4.73727e+01 137.502 1.11994e+01 137.502 0.7262 
1 1 1 7  29 16 o 3  6.21786e+01 2.70075e+01 1.49203e+01 333.090 8.39139e-01  -4.25899e-01 0.00000e+00 0.00000e+00 3.82635e+01 333.090 2.33432e+01 333.090 0.4251 
1 1 1 7  29 17 o 9  5.96410e+01 2.68106e+01 2.78200e+01 338.181 1.56001e+00  -6.24551e-01 0.00000e+00 0.00000e+00 4.93402e+01 338.181 2.15202e+01 338.181 0.6377 
1 1 1 7  29 18 o 8  6.00339e+01 2.71038e+01 5.47412e+00 146.873 -2.93581e-01 1.91582e-01  0.00000e+00 0.00000e+00 1.57403e+01 146.873 1.02662e+01 146.873 0.1726 
1 1 1 7  29 19 o 11 5.03896e+01 2.41440e+01 1.06284e+01 242.197 -3.34243e-01 -6.33879e-01 0.00000e+00 0.00000e+00 2.44674e+01 242.197 1.38390e+01 242.197 0.3371 
1 1 1 7  29 20 o 15 6.00059e+01 2.61785e+01 2.49080e+01 180.585 -1.74993e+00 -1.78673e-02 0.00000e+00 0.00000e+00 5.67408e+01 180.585 3.18328e+01 180.585 0.6521 
1 1 1 7  29 21 o 7  4.49199e+01 2.11452e+01 5.69160e+00 267.915 -1.60319e-02 -4.40303e-01 0.00000e+00 0.00000e+00 1.46797e+01 267.915 8.98815e+00 267.915 0.2151 
1 1 1 7  30 0  o 3  6.77754e+01 3.51032e+01 8.66944e+01 90.000  1.58626e-16  2.59055e+00  0.00000e+00 0.00000e+00 4.37586e+01 90.000  4.29358e+01 270.000 0.9888 
1 1 1 7  30 1  o 8  5.26601e+01 2.20025e+01 3.88569e+01 92.330  -8.26939e-02 2.03244e+00  0.00000e+00 0.00000e+00 3.32532e+01 92.330  5.60373e+00 272.330 0.7033 
1 1 1 7  30 2  o 15 5.31890e+01 2.22225e+01 5.05304e+01 278.381 3.85371e-01  -2.61586e+00 0.00000e+00 0.00000e+00 3.02879e+01 278.381 2.02426e+01 98.381  0.7798 
1 1 1 7  30 3  o 5  5.71127e+01 2.29181e+01 4.81719e+01 245.532 -1.08644e+00 -2.38745e+00 0.00000e+00 0.00000e+00 3.84882e+01 245.532 9.68369e+00 65.532  0.7777 
1 1 1 7  30 4  o 8  5.20412e+01 2.21902e+01 2.68756e+01 83.375  1.73218e-01  1.49148e+00  0.00000e+00 0.00000e+00 3.37951e+01 83.375  6.91948e+00 83.375  0.5965 
1 1 1 7  30 5  o 17 7.30664e+01 2.74191e+01 5.72277e+01 84.147  3.58787e-01  3.50029e+00  0.00000e+00 0.00000e+00 6.32951e+01 84.147  6.06740e+00 84.147  0.8421 
1 1 1 7  30 6  o 16 4.63971e+01 2.15283e+01 1.85192e+01 90.766  -1.33739e-02 9.99836e-01  0.00000e+00 0.00000e+00 2.21614e+01 90.766  3.64217e+00 90.766  0.4464 
1 1 1 7  30 7  f 0  5.38791e+01 2.70822e+01 5.75757e+01 295.358 1.17676e+00  -2.48298e+00 0.00000e+00 0.00000e+00 2.62504e+01 295.358 3.13253e+01 115.358 0.7895 
1 1 1 7  30 8  o 17 7.17244e+01 3.00732e+01 2.83052e+01 164.274 -1.47884e+00 4.16393e-01  0.00000e+00 0.00000e+00 5.75346e+01 164.274 2.92293e+01 164.274 0.6050 
1 1 1 7  30 9  o 18 6.37868e+01 2.86946e+01 2.22668e+01 52.015  7.18207e-01  9.19755e-01  0.00000e+00 0.00000e+00 4.14037e+01 52.015  1.91369e+01 52.015  0.5024 
1 1 1 7  30 10 o 13 5.77903e+01 2.27691e+01 2.81463e+01 10.331  1.78928e+00  3.26165e-01  0.00000e+00 0.00000e+00 4.86460e+01 10.331  2.04998e+01 10.331  0.6656 
1 1 1 7  30 11 o 17 6.42970e+01 2.35622e+01 6.17225e+01 175.231 -4.29104e+00 3.58010e-01  0.00000e+00 0.00000e+00 5.10974e+01 175.231 1.06251e+01 355.231 0.8743 
1 1 1 7  30 12 o 13 6.80284e+01 2.42597e+01 4.90501e+01 217.724 -2.81614e+00 -2.17845e+00 0.00000e+00 0.00000e+00 6.68727e+01 217.724 1.78225e+01 217.724 0.8442 
1 1 1 7  30 13 o 19 4.55149e+01 2.02491e+01 5.13095e+01 13.030  3.48372e+00  8.06176e-01  0.00000e+00 0.00000e+00 2.68113e+01 13.030  2.44982e+01 193.030 0.8450 
1 1 1 7  30 14 o 16 6.35946e+01 2.45042e+01 3.92310e+01 63.960  1.26890e+00  2.59708e+00  0.00000e+00 0.00000e+00 6.50204e+01 63.960  2.57893e+01 63.960  0.8016 
1 1 1 7  30 15 o 10 4.75236e+01 2.26151e+01 2.85571e+01 215.160 -1.41939e+00 -9.99787e-01 0.00000e+00 0.00000e+00 3.50171e+01 215.160 6.45994e+00 215.160 0.6493 
1 1 1 7  30 16 o 3  4.46875e+01 2.17120e+01 3.13099e+01 318.841 1.56666e+00  -1.36955e+00 0.00000e+00 0.00000e+00 3.46265e+01 318.841 3.31658e+00 318.841 0.7106 
1 1 1 7  30 17 o 11 4.30973e+01 2.10977e+01 2.97071e+01 236.538 -1.15934e+00 -1.75408e+00 0.00000e+00 0.00000e+00 3.47121e+01 236.538 5.00498e+00 236.538 0.7139 
1 1 1 7  30 18 o 1  5.28443e+01 2.50918e+01 1.01190e+01 259.796 -1.16652e-01 -6.48067e-01 0.00000e+00 0.00000e+00 2.47734e+01 259.796 1.46543e+01 259.796 0.3126 
1 1 1 7  30 19 o 12 5.05380e+01 2.42165e+01 3.90356e+01 46.347  1.81196e+00  1.89923e+00  0.00000e+00 0.00000e+00 4.47868e+01 46.347  5.75116e+00 46.347  0.7779 
1 1 1 7  30 20 o 10 4.83541e+01 2.41970e+01 1.68610e+01 129.972 -7.10006e-01 8.46991e-01  0.00000e+00 0.00000e+00 3.33664e+01 129.972 1.65054e+01 129.972 0.4824 
1 1 1 7  31 0  o 1  5.57163e+01 3.28111e+01 6.59106e+01 270.000 1.66710e-07  -1.90694e+00 0.00000e+00 0.00000e+00 4.12920e+01 270.000 2.46186e+01 90.000  0.9568 
1 1 1 7  31 1  o 18 4.20425e+01 1.95122e+01 2.73009e+01 229.097 -9.70050e-01 -1.11973e+00 0.00000e+00 0.00000e+00 2.27207e+01 229.097 4.58019e+00 49.097  0.5915 
1 1 1 7  31 2  o 14 5.88681e+01 2.33137e+01 5.42906e+01 65.922  1.38807e+00  3.10623e+00  0.00000e+00 0.00000e+00 4.47529e+01 65.922  9.53764e+00 245.922 0.8358 
1 1 1 7  31 3  f 0  5.08224e+01 2.21544e+01 3.10337e+01 51.547  1.10490e+00  1.39138e+00  0.00000e+00 0.00000e+00 3.63128e+01 51.547  5.27910e+00 51.547  0.6575 
1 1 1 7  31 4  o 7  6.13505e+01 2.41360e+01 3.35223e+01 153.011 -1.86577e+00 9.50196e-01  0.00000e+00 0.00000e+00 5.47450e+01 153.011 2.12227e+01 153.011 0.7126 
1 1 1 7  31 5  o 5  6.56565e+01 2.69601e+01 3.40896e+01 283.571 4.74832e-01  -1.96701e+00 0.00000e+00 0.00000e+00 5.91269e+01 283.571 2.50373e+01 283.571 0.7016 
1 1 1 7  31 6  f 0  5.01741e+01 2.36980e+01 3.51876e+01 285.025 4.85882e-01  -1.81011e+00 0.00000e+00 0.00000e+00 3.36386e+01 285.025 1.54903e+00 105.025 0.6760 
1 1 1 7  31 7  o 8  5.60591e+01 2.60776e+01 4.45030e+01 49.522  1.54058e+00  1.80520e+00  0.00000e+00 0.00000e+00 4.11488e+01 49.522  3.35415e+00 229.522 0.7505 
1 1 1 7  31 8  o 8  5.13523e+01 2.44449e+01 4.66852e+01 171.853 -2.50443e+00 3.58515e-01  0.00000e+00 0.00000e+00 3.39347e+01 171.853 1.27505e+01 351.853 0.7682 
1 1 1 7  31 9  o 11 6.49209e+01 2.53598e+01 2.70294e+01 233.365 -1.10895e+00 -1.49128e+00 0.00000e+00 0.00000e+00 6.26559e+01 233.365 3.56266e+01 233.365 0.6731 
1 1 1 7  31 10 o 3  5.56075e+01 2.22558e+01 5.96027e+01 5.625   4.43322e+00  4.36642e-01  0.00000e+00 0.00000e+00 4.11960e+01 5.625   1.84067e+01 185.625 0.8790 
1 1 1 7  31 11 o 10 4.41541e+01 1.97709e+01 1.77363e+01 117.490 -5.55899e-01 1.06833e+00  0.00000e+00 0.00000e+00 2.93259e+01 117.490 1.15896e+01 117.490 0.5141 
1 1 1 7  31 12 o 14 5.14654e+01 2.16389e+01 1.61010e+01 251.940 -3.47862e-01 -1.06682e+00 0.00000e+00 0.00000e+00 3.62687e+01 251.940 2.01677e+01 251.940 0.4880 
1 1 1 7  31 13 o 7  4.88574e+01 2.10785e+01 1.17384e+01 93.868  -5.62863e-02 8.32390e-01  0.00000e+00 0.00000e+00 2.76938e+01 93.868  1.59554e+01 93.868  0.3846 
1 1 1 7  31 14 o 1  5.28155e+01 2.26455e+01 2.91680e+01 113.298 -8.35012e-01 1.93911e+00  0.00000e+00 0.00000e+00 5.06422e+01 113.298 2.14743e+01 113.298 0.7152 
1 1 1 7  31 15 o 8  5.17240e+01 2.23907e+01 2.97510e+01 267.750 -8.95505e-02 -2.27938e+00 0.00000e+00 0.00000e+00 5.15943e+01 267.750 2.18432e+01 267.750 0.7389 
1 1 1 7  31 16 o 9  4.72242e+01 2.28132e+01 1.89756e+01 280.708 2.40232e-01  -1.27039e+00 0.00000e+00 0.00000e+00 3.57865e+01 280.708 1.68109e+01 280.708 0.5406 
1 1 1 7  31 17 o 1  4.42417e+01 2.16718e+01 2.33218e+01 214.886 -1.33833e+00 -9.33159e-01 0.00000e+00 0.00000e+00 3.66772e+01 214.886 1.33555e+01 214.886 0.6270 
1 1 1 7  31 18 o 13 4.35212e+01 2.15164e+01 9.43080e+00 94.729  -5.54099e-02 6.69743e-01  0.00000e+00 0.00000e+00 2.08041e+01 94.729  1.13733e+01 94.729  0.3184 
1 1 1 7  32 0  o 4  4.65468e+01 2.98445e+01 1.33140e+01 270.000 -2.38368e-17 -3.89284e-01 0.00000e+00 0.00000e+00 2.25731e+01 270.000 9.25908e+00 270.000 0.3707 
1 1 1 7  32 1  o 15 9.62846e+01 2.58221e+01 9.42776e+01 260.100 -1.52040e+00 -8.71128e+00 0.00000e+00 0.00000e+00 9.43155e+01 260.100 3.79202e-02 260.100 0.9416 
1 1 1 7  32 2  o 13 5.48183e+01 2.33422e+01 3.73128e+01 87.795  8.73773e-02  2.26977e+00  0.00000e+00 0.00000e+00 4.68669e+01 87.795  9.55409e+00 87.795  0.7377 
1 1 1 7  32 3  o 11 8.53659e+01 2.61405e+01 5.82936e+01 66.431  2.00553e+00  4.59729e+00  0.00000e+00 0.00000e+00 1.00730e+02 66.431  4.24360e+01 66.431  0.8937 
1 1 1 7  32 4  o 6  4.75421e+01 2.13916e+01 2.17837e+01 325.880 1.13047e+00  -7.65961e-01 0.00000e+00 0.00000e+00 3.39144e+01 325.880 1.21307e+01 325.880 0.5611 
1 1 1 7  32 5  o 17 5.11000e+01 2.34353e+01 1.64033e+01 264.295 -9.73231e-02 -9.74109e-01 0.00000e+00 0.00000e+00 3.05304e+01 264.295 1.41271e+01 264.295 0.4389 
1 1 1 7  32 6  o 16 3.96155e+01 1.97851e+01 4.50015e+01 220.956 -2.09995e+00 -1.82262e+00 0.00000e+00 0.00000e+00 2.08714e+01 220.956 2.41302e+01 40.956  0.7924 
1 1 1 7  32 7  o 17 5.11552e+01 2.43528e+01 3.75863e+01 82.350  2.95652e-01  2.20116e+00  0.00000e+00 0.00000e+00 4.11364e+01 82.350  3.55015e+00 82.350  0.7309 
1 1 1 7  32 8  o 17 6.70848e+01 2.93825e+01 4.21381e+01 44.954  1.73221e+00  1.72942e+00  0.00000e+00 0.00000e+00 6.54988e+01 44.954  2.33607e+01 44.954  0.7592 
1 1 1 7  32 9  o 4  9.29615e+01 2.81788e+01 3.86081e+01 275.679 3.25893e-01  -3.27688e+00 0.00000e+00 0.00000e+00 1.25064e+02 275.679 8.64562e+01 275.679 0.8295 
1 1 1 7  32 10 o 5  4.80245e+01 2.09584e+01 1.83174e+01 181.874 -1.28068e+00 -4.19051e-02 0.00000e+00 0.00000e+00 3.67098e+01 181.874 1.83924e+01 181.874 0.5373 
1 1 1 7  32 11 o 19 4.16809e+01 1.92275e+01 2.71126e+01 221.130 -1.48218e+00 -1.29437e+00 0.00000e+00 0.00000e+00 3.47648e+01 221.130 7.65225e+00 221.130 0.6924 
1 1 1 7  32 12 o 3  5.50286e+01 2.27251e+01 2.26886e+01 21.986  1.66467e+00  6.72112e-01  0.00000e+00 0.00000e+00 5.57647e+01 21.986  3.30761e+01 21.986  0.6611 
1 1 1 7  32 13 o 8  3.00370e+01 1.48831e+01 1.64784e+01 58.455  6.76718e-01  1.10236e+00  0.00000e+00 0.00000e+00 1.87726e+01 58.455  2.29419e+00 58.455  0.5408 
1 1 1 7  32 14 o 18 4.78018e+01 2.10257e+01 1.65595e+01 214.480 -1.05880e+00 -7.27152e-01 0.00000e+00 0.00000e+00 3.96487e+01 214.480 2.30891e+01 214.480 0.5382 
1 1 1 7  32 15 o 6  4.04374e+01 1.88354e+01 1.19017e+01 19.578  9.16918e-01  3.26101e-01  0.00000e+00 0.00000e+00 2.69751e+01 19.578  1.50734e+01 19.578  0.4368 
1 1 1 7  32 16 o 2  4.37376e+01 2.03327e+01 2.20426e+01 154.757 -1.54976e+00 7.30695e-01  0.00000e+00 0.00000e+00 4.05004e+01 154.757 1.84578e+01 154.757 0.6446 
1 1 1 7  33 0  o 11 2.96142e+01 2.11842e+01 3.04429e+01 90.000  -8.13500e-08 9.30536e-01  0.00000e+00 0.00000e+00 1.61534e+01 90.000  1.42895e+01 270.000 0.7308 
1 1 1 7  33 1  o 7  5.34894e+01 2.30565e+01 8.35372e+00 355.786 5.46547e-01  -4.02684e-02 0.00000e+00 0.00000e+00 2.20806e+01 355.786 1.37269e+01 355.786 0.2642 
1 1 1 7  33 2  o 3  5.78656e+01 2.39208e+01 3.09258e+01 194.676 -2.01353e+00 -5.27348e-01 0.00000e+00 0.00000e+00 5.77031e+01 194.676 2.67772e+01 194.676 0.7107 
1 1 1 7  33 3  o 7  3.59733e+01 1.76145e+01 2.39691e+01 283.512 3.67360e-01  -1.52875e+00 0.00000e+00 0.00000e+00 2.36527e+01 283.512 3.16328e-01 103.512 0.6135 
1 1 1 7  33 4  o 8  4.78828e+01 2.15884e+01 2.61226e+01 336.880 1.60254e+00  -6.84199e-01 0.00000e+00 0.00000e+00 4.12194e+01 336.880 1.50968e+01 336.880 0.6506 
1 1 1 7  33 5  o 6  5.54825e+01 2.49977e+01 1.22335e+01 141.456 -5.95394e-01 4.74345e-01  0.00000e+00 0.00000e+00 3.04961e+01 141.456 1.82627e+01 141.456 0.3555 
1 1 1 7  33 6  o 14 5.18879e+01 2.48835e+01 1.55459e+01 46.039  6.60879e-01  6.85300e-01  0.00000e+00 0.00000e+00 3.28307e+01 46.039  1.72849e+01 46.039  0.4291 
1 1 1 7  33 7  o 13 4.50498e+01 2.21402e+01 1.21396e+01 89.113  1.18189e-02  7.63247e-01  0.00000e+00 0.00000e+00 2.28494e+01 89.113  1.07098e+01 89.113  0.3563 
1 1 1 7  33 8  o 12 4.04246e+01 2.01927e+01 3.43588e+01 239.541 -1.11926e+00 -1.90324e+00 0.00000e+00 0.00000e+00 3.01306e+01 239.541 4.22824e+00 59.541  0.7291 
1 1 1 7  33 9  o 8  3.55290e+01 1.74349e+01 2.81294e+01 307.046 1.27866e+00  -1.69401e+00 0.00000e+00 0.00000e+00 2.78376e+01 307.046 2.91805e-01 127.046 0.7169 
1 1 1 7  33 10 o 19 4.04740e+01 1.88262e+01 1.84206e+01 160.514 -1.32223e+00 4.67874e-01  0.00000e+00 0.00000e+00 3.26150e+01 160.514 1.41943e+01 160.514 0.5711 
1 1 1 7  33 11 o 18 3.53686e+01 1.71133e+01 1.41839e+01 36.636  8.82317e-01  6.56117e-01  0.00000e+00 0.00000e+00 2.35415e+01 36.636  9.35762e+00 36.636  0.4805 
1 1 1 7  33 12 o 6  5.44778e+01 2.28247e+01 2.66790e+01 82.034  2.86800e-01  2.04958e+00  0.00000e+00 0.00000e+00 5.95362e+01 82.034  3.28572e+01 82.034  0.7089 
1 1 1 7  33 13 o 11 4.53286e+01 2.05210e+01 2.82760e+01 151.613 -1.96012e+00 1.05926e+00  0.00000e+00 0.00000e+00 4.62572e+01 151.613 1.79812e+01 151.613 0.7319 
1 1 1 7  34 0  o 8  3.95639e+01 2.68330e+01 1.32805e+01 270.000 4.28346e-08  -4.89971e-01 0.00000e+00 0.00000e+00 2.68136e+01 270.000 1.35331e+01 270.000 0.4542 
1 1 1 7  34 1  o 7  4.07367e+01 1.94288e+01 1.67757e+01 47.984  8.22962e-01  9.13469e-01  0.00000e+00 0.00000e+00 3.06662e+01 47.984  1.38905e+01 47.984  0.5218 
1 1 1 7  34 2  o 10 4.54689e+01 2.10019e+01 8.75481e+00 107.514 -1.90976e-01 6.05184e-01  0.00000e+00 0.00000e+00 2.19478e+01 107.514 1.31930e+01 107.514 0.3023 
1 1 1 7  34 3  o 8  4.07714e+01 1.94605e+01 2.96769e+00 58.316  1.13819e-01  1.84407e-01  0.00000e+00 0.00000e+00 6.85392e+00 58.316  3.88623e+00 58.316  0.1077 
1 1 1 7  34 4  o 19 4.83398e+01 2.19008e+01 2.23177e+01 181.363 -1.59772e+00 -3.80236e-02 0.00000e+00 0.00000e+00 4.47673e+01 181.363 2.24496e+01 181.363 0.6195 
1 1 1 7  34 5  o 11 5.36167e+01 2.59109e+01 1.87045e+01 215.382 -9.16810e-01 -6.51108e-01 0.00000e+00 0.00000e+00 4.01363e+01 215.382 2.14318e+01 215.382 0.4888 
1 1 1 7  34 6  o 13 5.39146e+01 2.47553e+01 2.40468e+01 36.889  1.26646e+00  9.50511e-01  0.00000e+00 0.00000e+00 5.07428e+01 36.889  2.66960e+01 36.889  0.6161 
1 1 1 7  34 7  o 6  5.51936e+01 2.60886e+01 8.32840e+00 197.318 -4.94739e-01 -1.54269e-01 0.00000e+00 0.00000e+00 2.29401e+01 197.318 1.46117e+01 197.318 0.2508 
1 1 1 7  34 8  o 14 5.09283e+01 2.48474e+01 2.56642e+01 234.858 -9.18956e-01 -1.30550e+00 0.00000e+00 0.00000e+00 4.58295e+01 234.858 2.01653e+01 234.858 0.6191 
1 1 1 7  34 9  o 16 4.38489e+01 2.00144e+01 7.65276e+00 87.932  2.17303e-02  6.01912e-01  0.00000e+00 0.00000e+00 2.11327e+01 87.932  1.34800e+01 87.932  0.2883 
1 1 1 7  34 10 o 3  5.04963e+01 2.17569e+01 7.34376e+00 222.609 -4.24898e-01 -3.90837e-01 0.00000e+00 0.00000e+00 2.46926e+01 222.609 1.73489e+01 222.609 0.2773 
1 1 1 7  35 0  o 12 5.81828e+01 3.43089e+01 2.51581e+01 270.000 -5.74175e-17 -9.37699e-01 0.00000e+00 0.00000e+00 7.37210e+01 270.000 4.85629e+01 270.000 0.7342 
1 1 1 7  35 1  o 3  4.38069e+01 2.05787e+01 1.16937e+01 146.405 -7.23697e-01 4.80739e-01  0.00000e+00 0.00000e+00 2.86742e+01 146.405 1.69805e+01 146.405 0.3980 
1 1 1 7  35 2  o 4  3.39524e+01 1.67890e+01 5.12749e+00 175.762 -4.07560e-01 3.02035e-02  0.00000e+00 0.00000e+00 1.06219e+01 175.762 5.49440e+00 175.762 0.2002 
1 1 1 7  35 3  o 14 4.64431e+01 2.14403e+01 9.76610e+00 1.143   7.17438e-01  1.43085e-02  0.00000e+00 0.00000e+00 2.66020e+01 1.143   1.68359e+01 1.143   0.3375 
1 1 1 7  35 4  o 12 4.12034e+01 1.96453e+01 7.18343e+00 50.493  3.43930e-01  4.17114e-01  0.00000e+00 0.00000e+00 1.78008e+01 50.493  1.06173e+01 50.493  0.2609 
1 1 1 7  35 5  o 14 4.70530e+01 2.34996e+01 1.45586e+01 30.488  7.95140e-01  4.68145e-01  0.00000e+00 0.00000e+00 3.12944e+01 30.488  1.67358e+01 30.488  0.4183 
1 1 1 8  0  2  o 14 1.80173e+03 7.56578e+01 1.04412e+03 180.000 -4.79026e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.04418e+03 180.000 6.46104e-02 180.000 1.0000 
1 1 1 8  0  3  o 9  8.02589e+01 2.54584e+01 7.98942e+01 270.000 -1.06139e-17 -1.73337e-01 0.00000e+00 0.00000e+00 6.39089e+01 90.000  1.43803e+02 90.000  0.1716 
1 1 1 8  0  4  o 5  1.94665e+02 2.04078e+01 4.50057e+01 180.000 -2.31891e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.55298e+00 180.000 3.84527e+01 0.000   0.2278 
1 1 1 8  0  5  o 6  4.01474e+02 1.68998e+01 3.40771e+02 270.000 -2.53483e-16 -4.13969e+00 0.00000e+00 0.00000e+00 1.26794e+02 270.000 2.13976e+02 90.000  0.9995 
1 1 1 8  0  6  o 13 1.79625e+02 1.43126e+01 2.10012e+01 180.000 -1.10253e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.04560e+00 180.000 1.89556e+01 0.000   0.1098 
1 1 1 8  0  7  o 14 1.68873e+02 1.44357e+01 1.05149e+02 270.000 6.03630e-08  -6.90472e-01 0.00000e+00 0.00000e+00 1.32923e+01 270.000 9.18564e+01 90.000  0.5983 
1 1 1 8  0  8  o 7  5.71272e+02 2.04510e+01 2.60301e+02 0.000   5.92518e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.11921e+02 0.000   1.51620e+02 0.000   1.0000 
1 1 1 8  0  9  o 4  1.07113e+03 3.31378e+01 6.33907e+02 90.000  -2.30137e-06 2.63246e+01  0.00000e+00 0.00000e+00 6.31939e+02 90.000  1.96766e+00 270.000 1.0000 
1 1 1 8  0  10 o 6  9.65010e+02 3.03433e+01 4.61099e+02 180.000 -2.21330e+01 0.00000e+00  0.00000e+00 0.00000e+00 6.84810e+02 180.000 2.23712e+02 180.000 1.0000 
1 1 1 8  0  11 o 19 5.17229e+02 1.95358e+01 4.68433e+02 270.000 -6.71577e-16 -1.09677e+01 0.00000e+00 0.00000e+00 1.49016e+02 270.000 3.19416e+02 90.000  1.0000 
1 1 1 8  0  12 o 12 1.63506e+02 1.62038e+01 2.23245e+02 0.000   2.03126e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.35641e+01 180.000 2.56809e+02 180.000 0.9662 
1 1 1 8  0  13 o 4  5.66487e+02 2.09115e+01 2.43019e+02 270.000 -5.35743e-16 -8.74935e+00 0.00000e+00 0.00000e+00 4.41469e+02 270.000 1.98450e+02 270.000 1.0000 
1 1 1 8  0  14 o 3  9.33702e+01 2.66687e+01 1.85334e+02 180.000 -9.75372e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.00022e+02 0.000   2.85356e+02 0.000   0.7511 
1 1 1 8  0  15 f 0  1.63133e+02 1.98634e+01 2.45831e+02 90.000  1.70123e-16  2.77831e+00  0.00000e+00 0.00000e+00 4.74518e+01 270.000 2.93283e+02 270.000 0.9923 
1 1 1 8  0  16 o 8  5.97989e+01 3.66793e+01 7.63577e+01 180.000 -3.56046e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.11186e+01 0.000   1.27476e+02 0.000   0.3417 
1 1 1 8  0  17 o 16 2.60142e+02 1.94468e+01 1.82995e+02 270.000 -2.53055e-16 -4.13270e+00 0.00000e+00 0.00000e+00 1.40825e+02 270.000 4.21705e+01 90.000  0.9995 
1 1 1 8  0  18 o 2  3.33761e+01 2.30091e+01 6.77928e+01 0.000   2.03748e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.93648e+01 180.000 1.27158e+02 180.000 0.2010 
1 1 1 8  0  19 o 18 1.63634e+02 3.29204e+01 2.54502e+01 270.000 -2.39168e-17 -3.90591e-01 0.00000e+00 0.00000e+00 5.17233e+01 270.000 2.62731e+01 270.000 0.3719 
1 1 1 8  0  20 o 13 1.79031e+02 2.61112e+01 6.95722e+01 180.000 -1.22278e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.23148e+02 180.000 5.35757e+01 180.000 0.8405 
1 1 1 8  0  22 o 1  9.49612e+01 4.21311e+01 4.39598e+01 0.000   3.40150e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.26128e+00 180.000 4.72211e+01 180.000 0.3276 
1 1 1 8  0  23 o 14 1.67523e+02 6.56867e+01 1.22103e+02 270.000 -1.07348e-16 -1.75313e+00 0.00000e+00 0.00000e+00 8.66360e+01 270.000 3.54670e+01 90.000  0.9417 
1 1 1 8  0  24 o 18 1.93209e+02 6.95579e+01 1.47572e+02 0.000   2.79694e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.09198e+02 0.000   3.83740e+01 180.000 0.9926 
1 1 1 8  0  25 o 4  7.17880e+01 4.16701e+01 2.96826e+01 90.000  1.88071e-17  3.07144e-01  0.00000e+00 0.00000e+00 6.99437e-01 270.000 3.03820e+01 270.000 0.2978 
1 1 1 8  0  26 o 10 7.73949e+01 4.32810e+01 5.35849e+01 180.000 -7.27776e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.24839e+01 180.000 4.11010e+01 0.000   0.6217 
1 1 1 8  0  27 o 16 6.22407e+01 3.86004e+01 3.51951e+01 270.000 -2.47607e-17 -4.04372e-01 0.00000e+00 0.00000e+00 1.96339e+00 90.000  3.71585e+01 90.000  0.3837 
1 1 1 8  0  28 o 17 4.84134e+01 3.25916e+01 9.23854e+00 180.000 -1.19411e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.11994e+00 0.000   1.03585e+01 0.000   0.1188 
1 1 1 8  0  29 o 15 8.49844e+01 4.31199e+01 9.66838e+01 90.000  1.13620e-16  1.85555e+00  0.00000e+00 0.00000e+00 1.91589e+01 90.000  7.75249e+01 270.000 0.9523 
1 1 1 8  0  30 o 4  9.80037e+01 5.72870e+01 6.31220e+01 180.000 -1.38620e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.25122e+01 180.000 6.09855e-01 0.000   0.8823 
1 1 1 8  0  31 o 5  6.27271e+01 3.76730e+01 6.46269e+01 270.000 -9.74582e-17 -1.59161e+00 0.00000e+00 0.00000e+00 2.05543e+01 270.000 4.40727e+01 90.000  0.9204 
1 1 1 8  0  32 o 19 3.86674e+01 2.72001e+01 1.86114e+01 180.000 -4.44714e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.59112e+00 180.000 1.30203e+01 0.000   0.4175 
1 1 1 8  0  33 o 4  4.37623e+01 3.07651e+01 7.13470e+00 270.000 -1.11591e-17 -1.82242e-01 0.00000e+00 0.00000e+00 4.88542e+00 270.000 2.24928e+00 90.000  0.1803 
1 1 1 8  0  34 o 17 5.25354e+01 3.52189e+01 6.89951e+01 0.000   2.28892e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.07667e+01 0.000   5.82284e+01 180.000 0.9797 
1 1 1 8  0  35 o 11 4.47802e+01 3.13047e+01 7.79526e+00 90.000  1.56828e-17  2.56119e-01  0.00000e+00 0.00000e+00 9.90587e+00 90.000  2.11061e+00 90.000  0.2507 
1 1 1 8  0  36 o 18 3.55788e+01 2.58757e+01 2.96610e+01 180.000 -1.14367e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.69293e+01 180.000 1.27317e+01 0.000   0.8156 
1 1 1 8  0  37 o 16 4.27473e+01 3.05242e+01 2.32406e+00 90.000  5.83347e-18  9.52678e-02  0.00000e+00 0.00000e+00 4.31553e+00 90.000  1.99147e+00 90.000  0.0950 
1 1 1 8  1  2  o 14 4.57129e+02 1.78880e+01 3.99680e+02 287.043 2.93661e+00  -9.57959e+00 0.00000e+00 0.00000e+00 1.03247e+02 287.043 2.96432e+02 107.043 0.9487 
1 1 1 8  1  3  o 14 8.40063e+02 2.18619e+01 5.40413e+02 101.514 -4.85707e+00 2.38428e+01  0.00000e+00 0.00000e+00 4.14758e+02 101.514 1.25655e+02 281.514 0.9792 
1 1 1 8  1  4  o 14 3.06394e+02 1.07330e+01 2.87671e+02 118.213 -2.20380e+00 4.10788e+00  0.00000e+00 0.00000e+00 2.77019e+01 118.213 2.59969e+02 298.213 0.8849 
1 1 1 8  1  5  o 8  3.08906e+02 1.24530e+01 2.02609e+02 307.814 2.31282e+00  -2.98011e+00 0.00000e+00 0.00000e+00 1.05001e+02 307.814 9.76080e+01 127.814 0.8542 
1 1 1 8  1  6  o 18 3.56048e+02 1.13196e+01 1.26069e+02 347.296 3.52976e+00  -7.95745e-01 0.00000e+00 0.00000e+00 2.26513e+02 347.296 1.00443e+02 347.296 0.8471 
1 1 1 8  1  7  o 7  2.35492e+02 1.17613e+01 1.43236e+02 357.773 2.60873e+00  -1.01425e-01 0.00000e+00 0.00000e+00 7.12477e+01 357.773 7.19880e+01 177.773 0.7765 
1 1 1 8  1  8  o 5  6.75828e+02 1.60628e+01 3.71999e+02 183.113 -1.98995e+01 -1.08242e+00 0.00000e+00 0.00000e+00 4.03463e+02 183.113 3.14634e+01 183.113 0.9746 
1 1 1 8  1  9  o 4  3.94297e+02 1.19646e+01 3.02335e+02 205.575 -8.47173e+00 -4.05439e+00 0.00000e+00 0.00000e+00 1.38320e+02 205.575 1.64016e+02 25.575  0.9452 
1 1 1 8  1  10 o 2  6.98341e+02 1.65378e+01 5.63057e+02 10.990  3.87264e+01  7.52065e+00  0.00000e+00 0.00000e+00 2.56052e+02 10.990  3.07004e+02 190.990 0.9872 
1 1 1 8  1  11 o 1  1.94777e+02 1.06380e+01 1.20196e+02 4.581   2.11649e+00  1.69592e-01  0.00000e+00 0.00000e+00 4.66120e+01 4.581   7.35837e+01 184.581 0.7170 
1 1 1 8  1  12 o 6  9.81437e+02 2.17543e+01 4.34979e+02 221.577 -3.46724e+01 -3.07584e+01 0.00000e+00 0.00000e+00 7.31279e+02 221.577 2.96301e+02 221.577 0.9892 
1 1 1 8  1  13 o 4  1.21660e+02 1.30625e+01 4.65181e+01 63.022  3.26867e-01  6.42126e-01  0.00000e+00 0.00000e+00 3.30440e+00 63.022  4.32137e+01 243.022 0.3387 
1 1 1 8  1  14 o 13 2.73920e+02 1.17912e+01 8.95451e+01 4.006   2.79455e+00  1.95718e-01  0.00000e+00 0.00000e+00 1.75241e+02 4.006   8.56957e+01 4.006   0.7942 
1 1 1 8  1  15 o 5  5.13164e+02 1.66311e+01 2.09162e+02 64.079  6.44650e+00  1.32635e+01  0.00000e+00 0.00000e+00 3.98325e+02 64.079  1.89163e+02 64.079  0.9655 
1 1 1 8  1  16 o 13 1.26552e+02 2.77158e+01 7.05712e+01 199.668 -1.29761e+00 -4.63794e-01 0.00000e+00 0.00000e+00 1.77095e+01 199.668 5.28617e+01 19.668  0.5645 
1 1 1 8  1  17 o 6  1.14905e+02 1.94695e+01 7.06812e+01 241.941 -6.49024e-01 -1.21759e+00 0.00000e+00 0.00000e+00 1.02128e+01 241.941 6.04684e+01 61.941  0.5650 
1 1 1 8  1  19 o 13 2.33078e+02 4.18742e+01 7.47165e+01 329.167 2.44899e+00  -1.46179e+00 0.00000e+00 0.00000e+00 1.61424e+02 329.167 8.67078e+01 329.167 0.7984 
1 1 1 8  1  20 o 9  3.63119e+02 1.64859e+01 1.92255e+02 336.594 1.26755e+01  -5.48681e+00 0.00000e+00 0.00000e+00 2.55893e+02 336.594 6.36384e+01 336.594 0.9631 
1 1 1 8  1  21 o 16 1.30057e+02 2.34906e+01 4.69370e+01 274.714 7.75269e-02  -9.40188e-01 0.00000e+00 0.00000e+00 2.47939e+01 274.714 2.21431e+01 94.714  0.4260 
1 1 1 8  1  22 o 2  2.46144e+02 2.20992e+01 1.58766e+02 241.688 -3.15186e+00 -5.85081e+00 0.00000e+00 0.00000e+00 1.38072e+02 241.688 2.06939e+01 61.688  0.9214 
1 1 1 8  1  24 o 15 2.26602e+02 2.62346e+01 1.37982e+02 40.444  6.03786e+00  5.14657e+00  0.00000e+00 0.00000e+00 1.45747e+02 40.444  7.76512e+00 40.444  0.9347 
1 1 1 8  1  25 o 7  1.94822e+02 3.03799e+01 1.31578e+02 321.284 5.70146e+00  -4.57031e+00 0.00000e+00 0.00000e+00 1.13844e+02 321.284 1.77340e+01 141.284 0.9288 
1 1 1 8  1  26 o 12 6.68476e+01 2.87243e+01 3.00690e+01 254.689 -1.91324e-01 -6.98827e-01 0.00000e+00 0.00000e+00 1.19302e+00 254.689 2.88760e+01 74.689  0.3404 
1 1 1 8  1  27 o 17 7.80343e+01 3.04859e+01 4.54577e+01 93.592  -7.83016e-02 1.24731e+00  0.00000e+00 0.00000e+00 1.19004e+01 93.592  3.35574e+01 273.592 0.5279 
1 1 1 8  1  28 o 11 1.22693e+02 3.03273e+01 4.92323e+01 109.350 -9.31782e-01 2.65326e+00  0.00000e+00 0.00000e+00 8.84844e+01 109.350 3.92521e+01 109.350 0.7951 
1 1 1 8  1  29 o 6  4.17130e+01 2.03194e+01 3.08603e+01 224.727 -4.95717e-01 -4.91016e-01 0.00000e+00 0.00000e+00 1.11919e+01 44.727  4.20522e+01 44.727  0.3292 
1 1 1 8  1  30 o 17 6.36922e+01 3.07631e+01 6.26417e+01 263.321 -2.68618e-01 -2.29388e+00 0.00000e+00 0.00000e+00 6.11305e+00 263.321 5.65287e+01 83.321  0.7426 
1 1 1 8  1  31 o 11 5.09377e+01 2.35251e+01 3.40864e+01 71.934  4.64686e-01  1.42460e+00  0.00000e+00 0.00000e+00 1.07111e+01 71.934  2.33753e+01 251.934 0.5958 
1 1 1 8  1  32 o 5  7.18445e+01 2.88851e+01 1.22638e+01 139.310 -5.77094e-01 4.96200e-01  0.00000e+00 0.00000e+00 2.60334e+01 139.310 1.37695e+01 139.310 0.3554 
1 1 1 8  1  33 o 8  7.72801e+01 3.10716e+01 1.24626e+01 333.214 6.97784e-01  -3.52264e-01 0.00000e+00 0.00000e+00 3.03935e+01 333.214 1.79309e+01 333.214 0.3637 
1 1 1 8  1  34 o 7  6.64365e+01 2.92595e+01 1.75422e+01 347.233 1.16576e+00  -2.64148e-01 0.00000e+00 0.00000e+00 3.51331e+01 347.233 1.75909e+01 347.233 0.5113 
1 1 1 8  1  35 o 13 5.45825e+01 2.57733e+01 1.70340e+01 197.791 -1.08069e+00 -3.46795e-01 0.00000e+00 0.00000e+00 2.53528e+01 197.791 8.31872e+00 197.791 0.4922 
1 1 1 8  1  36 o 9  5.47136e+01 2.59847e+01 2.00905e+01 175.739 -1.49153e+00 1.11119e-01  0.00000e+00 0.00000e+00 3.22081e+01 175.739 1.21176e+01 175.739 0.5951 
1 1 1 8  1  37 o 11 4.91112e+01 2.40758e+01 1.18187e+01 315.397 6.72293e-01  -6.63049e-01 0.00000e+00 0.00000e+00 2.24353e+01 315.397 1.06166e+01 315.397 0.4263 
1 1 1 8  2  1  o 14 2.34800e+02 2.04527e+01 3.01704e+02 227.581 -2.60988e+00 -2.85633e+00 0.00000e+00 0.00000e+00 6.78009e+01 47.581  3.69505e+02 47.581  0.8583 
1 1 1 8  2  2  o 5  1.09723e+03 4.76482e+01 6.88004e+02 36.615  3.09414e+01  2.29913e+01  0.00000e+00 0.00000e+00 5.69822e+02 36.615  1.18182e+02 216.614 0.9869 
1 1 1 8  2  3  o 8  4.20347e+02 1.40006e+01 1.76025e+02 77.157  8.79103e-01  3.85613e+00  0.00000e+00 0.00000e+00 2.45263e+02 77.157  6.92376e+01 77.157  0.8618 
1 1 1 8  2  4  o 8  7.21042e+02 2.38273e+01 4.25868e+02 237.318 -1.00416e+01 -1.56523e+01 0.00000e+00 0.00000e+00 3.91275e+02 237.318 3.45936e+01 57.318  0.9727 
1 1 1 8  2  5  o 8  4.70914e+02 1.28390e+01 3.22951e+02 285.497 2.42216e+00  -8.73589e+00 0.00000e+00 0.00000e+00 1.95656e+02 285.497 1.27295e+02 105.497 0.9431 
1 1 1 8  2  6  o 18 6.85444e+02 1.61627e+01 4.73567e+02 130.546 -1.67337e+01 1.95605e+01  0.00000e+00 0.00000e+00 3.13301e+02 130.546 1.60266e+02 310.546 0.9804 
1 1 1 8  2  7  o 7  2.09477e+02 1.00466e+01 1.24455e+02 103.218 -4.57744e-01 1.94880e+00  0.00000e+00 0.00000e+00 4.73358e+01 103.218 7.71190e+01 283.218 0.6981 
1 1 1 8  2  8  o 12 4.58399e+02 1.27319e+01 1.34354e+02 354.098 4.83412e+00  -4.99702e-01 0.00000e+00 0.00000e+00 3.46762e+02 354.098 2.12408e+02 354.098 0.8900 
1 1 1 8  2  9  o 17 7.18444e+02 1.68336e+01 3.50809e+02 221.372 -1.46804e+01 -1.29300e+01 0.00000e+00 0.00000e+00 4.78007e+02 221.372 1.27198e+02 221.372 0.9741 
1 1 1 8  2  10 o 17 7.16964e+02 1.95449e+01 4.08954e+02 244.416 -1.25242e+01 -2.61583e+01 0.00000e+00 0.00000e+00 4.29387e+02 244.416 2.04330e+01 244.416 0.9826 
1 1 1 8  2  11 o 11 4.48551e+02 1.28310e+01 3.32852e+02 350.493 1.32211e+01  -2.21411e+00 0.00000e+00 0.00000e+00 1.83335e+02 350.493 1.49517e+02 170.493 0.9619 
1 1 1 8  2  12 o 10 4.27927e+02 1.26532e+01 2.57491e+02 139.685 -9.25026e+00 7.84883e+00  0.00000e+00 0.00000e+00 2.35720e+02 139.685 2.17709e+01 319.685 0.9579 
1 1 1 8  2  13 o 6  2.84584e+02 1.15476e+01 1.81507e+02 171.471 -7.36620e+00 1.10470e+00  0.00000e+00 0.00000e+00 1.39046e+02 171.471 4.24618e+01 351.471 0.9302 
1 1 1 8  2  14 o 8  6.21453e+02 1.57162e+01 2.57417e+02 343.842 1.73205e+01  -5.01829e+00 0.00000e+00 0.00000e+00 4.78913e+02 343.842 2.21496e+02 343.842 0.9719 
1 1 1 8  2  15 o 13 3.20938e+02 1.45128e+01 8.24901e+01 336.125 3.32750e+00  -1.47284e+00 0.00000e+00 0.00000e+00 2.51761e+02 336.125 1.69271e+02 336.125 0.8480 
1 1 1 8  2  16 o 5  2.61850e+02 1.55075e+01 7.90530e+01 118.601 -1.60242e+00 2.93890e+00  0.00000e+00 0.00000e+00 1.90832e+02 118.601 1.11779e+02 118.601 0.8327 
1 1 1 8  2  18 o 17 1.41877e+02 1.87325e+01 7.01924e+01 170.065 -1.74050e+00 3.04856e-01  0.00000e+00 0.00000e+00 4.69182e+01 170.065 2.32742e+01 350.065 0.6556 
1 1 1 8  2  19 o 14 1.93466e+02 1.72927e+01 1.42328e+02 149.302 -4.55190e+00 2.70246e+00  0.00000e+00 0.00000e+00 7.89147e+01 149.302 6.34132e+01 329.302 0.8998 
1 1 1 8  2  20 o 13 2.00147e+02 1.81968e+01 6.57573e+01 256.245 -6.12525e-01 -2.50227e+00 0.00000e+00 0.00000e+00 1.32828e+02 256.245 6.70705e+01 256.245 0.7730 
1 1 1 8  2  22 o 7  9.65973e+01 2.83875e+01 1.34606e+02 27.182  1.99767e+00  1.02588e+00  0.00000e+00 0.00000e+00 4.16198e+01 207.182 1.76225e+02 207.182 0.7343 
1 1 1 8  2  24 o 2  1.82044e+02 2.33026e+01 6.85115e+01 226.332 -2.23570e+00 -2.34219e+00 0.00000e+00 0.00000e+00 1.33282e+02 226.332 6.47706e+01 226.332 0.8261 
1 1 1 8  2  25 o 19 2.21824e+02 4.36391e+01 1.36593e+02 250.121 -2.46405e+00 -6.81466e+00 0.00000e+00 0.00000e+00 1.43103e+02 250.121 6.50994e+00 250.121 0.9282 
1 1 1 8  2  26 o 12 1.04324e+02 3.22493e+01 3.86640e+01 136.763 -1.00404e+00 9.44070e-01  0.00000e+00 0.00000e+00 4.23775e+01 136.763 3.71353e+00 136.763 0.5645 
1 1 1 8  2  27 o 8  1.17316e+02 3.14395e+01 3.10689e+01 134.558 -8.86776e-01 9.00577e-01  0.00000e+00 0.00000e+00 5.59874e+01 134.558 2.49185e+01 134.558 0.5321 
1 1 1 8  2  28 o 13 1.11073e+02 3.10648e+01 2.88371e+01 101.560 -2.94035e-01 1.43748e+00  0.00000e+00 0.00000e+00 6.35025e+01 101.560 3.46654e+01 101.560 0.5879 
1 1 1 8  2  29 o 10 1.04906e+02 3.22928e+01 4.81112e+01 35.310  1.79150e+00  1.26892e+00  0.00000e+00 0.00000e+00 6.13507e+01 35.310  1.32395e+01 35.310  0.7274 
1 1 1 8  2  30 o 8  1.06864e+02 2.83302e+01 5.21247e+01 279.021 5.37473e-01  -3.38550e+00 0.00000e+00 0.00000e+00 7.81449e+01 279.021 2.60202e+01 279.021 0.8372 
1 1 1 8  2  31 o 12 1.23627e+02 3.44484e+01 5.70432e+01 176.709 -4.32426e+00 2.48619e-01  0.00000e+00 0.00000e+00 1.02927e+02 176.709 4.58840e+01 176.709 0.8752 
1 1 1 8  2  32 o 3  5.91468e+01 2.65243e+01 2.75662e+01 286.778 4.43678e-01  -1.47160e+00 0.00000e+00 0.00000e+00 2.62036e+01 286.778 1.36260e+00 106.778 0.6052 
1 1 1 8  2  33 o 17 6.05136e+01 2.70243e+01 3.28792e+01 346.937 1.87417e+00  -4.34851e-01 0.00000e+00 0.00000e+00 3.04097e+01 346.937 2.46952e+00 166.937 0.6849 
1 1 1 8  2  34 o 15 4.84273e+01 2.35470e+01 3.08646e+01 107.881 -6.18531e-01 1.91722e+00  0.00000e+00 0.00000e+00 2.17947e+01 107.881 9.06993e+00 287.881 0.7001 
1 1 1 8  2  35 o 1  7.67528e+01 3.13486e+01 3.38072e+01 194.806 -2.46935e+00 -6.52688e-01 0.00000e+00 0.00000e+00 5.96831e+01 194.806 2.58759e+01 194.806 0.7708 
1 1 1 8  2  36 o 2  6.13170e+01 2.82945e+01 5.48143e+00 322.026 3.16656e-01  -2.47168e-01 0.00000e+00 0.00000e+00 1.39438e+01 322.026 8.46238e+00 322.026 0.1969 
1 1 1 8  2  37 o 15 6.51455e+01 2.96329e+01 1.55137e+01 346.092 1.14067e+00  -2.82465e-01 0.00000e+00 0.00000e+00 3.84011e+01 346.092 2.28873e+01 346.092 0.5050 
1 1 1 8  3  1  o 14 4.04345e+02 2.39932e+01 7.91499e+01 129.388 -1.08259e+00 1.31854e+00  0.00000e+00 0.00000e+00 2.23463e+02 129.388 1.44313e+02 129.388 0.6431 
1 1 1 8  3  2  o 8  1.40313e+02 1.99808e+01 2.48512e+02 144.223 -1.50047e+00 1.08124e+00  0.00000e+00 0.00000e+00 1.38791e+02 324.223 3.87304e+02 324.223 0.6714 
1 1 1 8  3  3  f 0  5.27966e+02 1.57916e+01 3.41966e+02 343.794 1.06767e+01  -3.10311e+00 0.00000e+00 0.00000e+00 2.45320e+02 343.794 9.66458e+01 163.794 0.9539 
1 1 1 8  3  4  o 17 5.11229e+02 1.55497e+01 2.64018e+02 203.735 -7.43337e+00 -3.26836e+00 0.00000e+00 0.00000e+00 2.95099e+02 203.735 3.10811e+01 203.735 0.9362 
1 1 1 8  3  5  o 19 1.38892e+02 9.86600e+00 8.46427e+01 239.046 -3.55001e-01 -5.91907e-01 0.00000e+00 0.00000e+00 3.16198e+01 59.046  1.16263e+02 59.046  0.3261 
1 1 1 8  3  6  o 12 2.10373e+02 1.00383e+01 9.97936e+01 22.908  1.51955e+00  6.42147e-01  0.00000e+00 0.00000e+00 5.60615e+01 22.908  4.37322e+01 202.908 0.6310 
1 1 1 8  3  7  o 7  8.74691e+02 2.25660e+01 4.27597e+02 114.761 -1.24992e+01 2.70989e+01  0.00000e+00 0.00000e+00 5.85310e+02 114.761 1.57714e+02 114.761 0.9831 
1 1 1 8  3  8  f 0  9.50241e+01 1.13124e+01 8.73141e+01 179.795 -6.46113e-01 2.31169e-03  0.00000e+00 0.00000e+00 5.27880e+01 359.795 1.40102e+02 359.795 0.3073 
1 1 1 8  3  9  f 0  6.48588e+02 1.56786e+01 2.66564e+02 319.243 1.00433e+01  -8.65591e+00 0.00000e+00 0.00000e+00 4.73974e+02 319.243 2.07410e+02 319.243 0.9615 
1 1 1 8  3  10 o 8  3.37062e+02 1.14177e+01 2.65231e+02 191.403 -8.68594e+00 -1.75187e+00 0.00000e+00 0.00000e+00 1.13517e+02 191.403 1.51714e+02 11.403  0.9418 
1 1 1 8  3  11 o 17 6.84956e+02 1.64350e+01 4.04985e+02 204.964 -2.21873e+01 -1.03290e+01 0.00000e+00 0.00000e+00 3.99658e+02 204.964 5.32693e+00 24.964  0.9794 
1 1 1 8  3  12 o 14 3.95608e+02 1.22603e+01 3.30926e+02 13.383  1.68041e+01  3.99806e+00  0.00000e+00 0.00000e+00 1.32340e+02 13.383  1.98586e+02 193.383 0.9706 
1 1 1 8  3  13 o 7  5.38865e+02 1.66897e+01 3.12675e+02 39.618  1.82977e+01  1.51469e+01  0.00000e+00 0.00000e+00 3.27645e+02 39.618  1.49703e+01 39.618  0.9787 
1 1 1 8  3  14 o 10 2.76116e+02 1.19688e+01 2.07793e+02 234.706 -3.72874e+00 -5.26756e+00 0.00000e+00 0.00000e+00 1.02353e+02 234.706 1.05441e+02 54.707  0.9189 
1 1 1 8  3  15 o 3  1.95239e+02 1.52731e+01 9.28475e+01 246.486 -1.25318e+00 -2.88018e+00 0.00000e+00 0.00000e+00 1.04266e+02 246.486 1.14185e+01 246.486 0.8199 
1 1 1 8  3  16 o 1  2.33687e+02 1.31792e+01 9.20743e+01 247.075 -1.35389e+00 -3.20122e+00 0.00000e+00 0.00000e+00 1.51489e+02 247.075 5.94146e+01 247.075 0.8398 
1 1 1 8  3  17 o 6  2.31967e+02 1.72148e+01 1.21766e+02 45.855  3.42836e+00  3.53222e+00  0.00000e+00 0.00000e+00 1.37040e+02 45.855  1.52736e+01 45.855  0.8916 
1 1 1 8  3  18 o 17 1.38053e+02 1.99013e+01 8.70409e+01 73.622  7.05672e-01  2.40101e+00  0.00000e+00 0.00000e+00 4.63414e+01 73.622  4.06995e+01 253.622 0.7653 
1 1 1 8  3  19 o 14 3.41165e+02 1.73222e+01 8.55151e+01 296.294 2.45140e+00  -4.96134e+00 0.00000e+00 0.00000e+00 3.07706e+02 296.294 2.22191e+02 296.294 0.9045 
1 1 1 8  3  21 o 7  6.27331e+01 2.53425e+01 1.69293e+01 280.864 3.73897e-02  -1.94824e-01 0.00000e+00 0.00000e+00 8.87771e+00 100.864 2.58070e+01 100.864 0.0987 
1 1 1 8  3  22 o 13 1.30978e+02 2.46713e+01 4.93937e+01 217.934 -8.97528e-01 -6.99553e-01 0.00000e+00 0.00000e+00 3.55100e+01 217.934 1.38837e+01 37.934  0.4931 
1 1 1 8  3  23 o 4  2.72550e+02 4.77395e+01 1.08609e+02 71.759  1.55637e+00  4.72224e+00  0.00000e+00 0.00000e+00 2.14875e+02 71.759  1.06265e+02 71.759  0.8927 
1 1 1 8  3  24 o 17 2.65005e+02 3.59545e+01 1.50678e+02 9.275   1.02270e+01  1.67024e+00  0.00000e+00 0.00000e+00 1.88179e+02 9.275   3.75012e+01 9.275   0.9505 
1 1 1 8  3  25 o 12 8.94819e+01 3.18846e+01 9.64266e+01 142.571 -1.90896e+00 1.46106e+00  0.00000e+00 0.00000e+00 4.51293e+00 322.570 1.00940e+02 322.570 0.7541 
1 1 1 8  3  26 o 11 7.98347e+01 3.10441e+01 6.16715e+01 145.985 -1.51393e+00 1.02172e+00  0.00000e+00 0.00000e+00 1.18095e+01 145.985 4.98620e+01 325.985 0.6671 
1 1 1 8  3  27 o 8  1.76333e+02 2.42602e+01 9.49180e+01 307.931 3.93960e+00  -5.05502e+00 0.00000e+00 0.00000e+00 1.31493e+02 307.931 3.65753e+01 307.931 0.9183 
1 1 1 8  3  28 o 16 1.32040e+02 2.83204e+01 8.92783e+01 232.538 -3.45947e+00 -4.51474e+00 0.00000e+00 0.00000e+00 8.05573e+01 232.538 8.72104e+00 52.538  0.9072 
1 1 1 8  3  29 o 9  9.52886e+01 3.30657e+01 2.69313e+01 199.987 -1.03053e+00 -3.74815e-01 0.00000e+00 0.00000e+00 3.87956e+01 199.987 1.18643e+01 199.987 0.4796 
1 1 1 8  3  30 o 16 1.22240e+02 2.63747e+01 6.96861e+01 34.251  4.54237e+00  3.09290e+00  0.00000e+00 0.00000e+00 9.15898e+01 34.251  2.19037e+01 34.251  0.9037 
1 1 1 8  3  31 o 2  7.40077e+01 3.10228e+01 3.65519e+01 179.305 -1.84607e+00 2.23833e-02  0.00000e+00 0.00000e+00 3.70496e+01 179.305 4.97740e-01 179.305 0.6708 
1 1 1 8  3  32 o 3  8.05194e+01 3.10168e+01 1.59997e+01 227.391 -6.80750e-01 -7.40081e-01 0.00000e+00 0.00000e+00 3.83778e+01 227.391 2.23781e+01 227.391 0.4484 
1 1 1 8  3  33 o 18 5.04735e+01 2.39860e+01 1.17097e+01 35.716  5.23072e-01  3.76091e-01  0.00000e+00 0.00000e+00 1.19764e+01 35.716  2.66632e-01 35.716  0.3065 
1 1 1 8  3  34 o 1  6.21724e+01 2.82392e+01 4.16713e+01 151.228 -2.43529e+00 1.33725e+00  0.00000e+00 0.00000e+00 3.50231e+01 151.228 6.64822e+00 331.228 0.7922 
1 1 1 8  3  35 o 11 6.99400e+01 3.00878e+01 2.22657e+01 69.295  5.75468e-01  1.52256e+00  0.00000e+00 0.00000e+00 4.71270e+01 69.295  2.48613e+01 69.295  0.6261 
1 1 1 8  3  36 f 0  6.82294e+01 3.01695e+01 4.29062e+01 339.197 2.99594e+00  -1.13823e+00 0.00000e+00 0.00000e+00 4.77958e+01 339.197 4.88952e+00 339.197 0.8241 
1 1 1 8  3  37 o 5  7.55235e+01 3.23033e+01 7.36752e+00 338.069 5.17261e-01  -2.08259e-01 0.00000e+00 0.00000e+00 2.59530e+01 338.069 1.85855e+01 338.069 0.2685 
1 1 1 8  4  0  o 5  4.85184e+02 2.64548e+01 4.28185e+02 0.000   6.40483e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.38413e+02 0.000   2.89771e+02 180.000 1.0000 
1 1 1 8  4  1  o 14 6.52546e+02 3.15156e+01 4.81156e+02 212.418 -1.59193e+01 -1.01097e+01 0.00000e+00 0.00000e+00 2.60592e+02 212.418 2.20565e+02 32.418  0.9731 
1 1 1 8  4  2  o 8  8.66186e+02 2.74966e+01 6.23496e+02 218.318 -2.54072e+01 -2.00783e+01 0.00000e+00 0.00000e+00 3.73305e+02 218.318 2.50191e+02 38.318  0.9844 
1 1 1 8  4  3  o 17 1.26496e+02 1.14393e+01 1.58418e+02 15.344  1.16499e+00  3.19672e-01  0.00000e+00 0.00000e+00 8.21275e+01 195.344 2.40545e+02 195.344 0.5153 
1 1 1 8  4  4  o 9  3.14261e+02 1.25092e+01 3.47759e+02 20.088  6.04196e+00  2.20960e+00  0.00000e+00 0.00000e+00 9.27084e+00 200.088 3.57030e+02 200.088 0.9186 
1 1 1 8  4  5  o 11 1.13668e+02 1.18191e+01 1.11885e+02 58.623  5.24974e-01  8.60832e-01  0.00000e+00 0.00000e+00 5.18645e+01 238.623 1.63749e+02 238.623 0.4493 
1 1 1 8  4  6  o 6  2.14052e+02 1.15916e+01 1.32092e+02 143.285 -1.73851e+00 1.29655e+00  0.00000e+00 0.00000e+00 5.04438e+01 143.285 8.16485e+01 323.285 0.7236 
1 1 1 8  4  7  o 15 1.17114e+02 1.03182e+01 5.88081e+01 110.742 -1.94174e-01 5.12728e-01  0.00000e+00 0.00000e+00 2.22083e+01 290.742 8.10163e+01 290.742 0.2643 
1 1 1 8  4  8  o 18 2.03913e+02 1.01754e+01 1.55253e+02 275.043 2.20279e-01  -2.49624e+00 0.00000e+00 0.00000e+00 3.00371e+01 275.043 1.25216e+02 95.043  0.7656 
1 1 1 8  4  9  o 11 1.64394e+02 1.04738e+01 9.10930e+01 215.120 -1.25088e+00 -8.79785e-01 0.00000e+00 0.00000e+00 2.71171e+01 215.120 6.39759e+01 35.120  0.6033 
1 1 1 8  4  10 f 0  1.77326e+02 1.20324e+01 7.57292e+01 96.610  -1.41676e-01 1.22267e+00  0.00000e+00 0.00000e+00 3.51782e+01 96.610  4.05510e+01 276.610 0.5222 
1 1 1 8  4  11 o 15 9.92632e+01 1.27237e+01 1.07230e+02 69.614  4.17501e-01  1.12346e+00  0.00000e+00 0.00000e+00 4.60012e+01 249.614 1.53231e+02 249.614 0.5123 
1 1 1 8  4  12 o 3  2.08013e+02 1.10377e+01 2.76008e+02 215.426 -6.09459e+00 -4.33531e+00 0.00000e+00 0.00000e+00 4.16070e+01 35.426  3.17615e+02 35.426  0.9305 
1 1 1 8  4  13 o 7  8.36282e+02 1.92421e+01 4.86289e+02 316.295 4.05676e+01  -3.87736e+01 0.00000e+00 0.00000e+00 5.23727e+02 316.295 3.74384e+01 316.295 0.9910 
1 1 1 8  4  14 o 7  2.39380e+02 1.39504e+01 2.03834e+02 51.235  4.32861e+00  5.39037e+00  0.00000e+00 0.00000e+00 6.77198e+01 51.235  1.36114e+02 231.235 0.9246 
1 1 1 8  4  15 o 18 3.09800e+02 1.24090e+01 2.91040e+02 152.937 -1.38686e+01 7.08553e+00  0.00000e+00 0.00000e+00 7.93629e+01 152.937 2.11677e+02 332.937 0.9673 
1 1 1 8  4  16 o 5  1.64100e+02 1.73375e+01 8.36131e+01 195.868 -2.32153e+00 -6.59895e-01 0.00000e+00 0.00000e+00 7.07730e+01 195.868 1.28401e+01 15.868  0.7553 
1 1 1 8  4  17 o 12 3.12276e+02 1.63309e+01 1.22553e+02 148.530 -5.65195e+00 3.45943e+00  0.00000e+00 0.00000e+00 2.38751e+02 148.530 1.16198e+02 148.530 0.9211 
1 1 1 8  4  18 o 8  1.79505e+02 1.75008e+01 8.05253e+01 210.282 -2.60771e+00 -1.52270e+00 0.00000e+00 0.00000e+00 1.04055e+02 210.282 2.35295e+01 210.282 0.8114 
1 1 1 8  4  19 o 1  5.48829e+01 2.29684e+01 1.13299e+02 331.065 9.96673e-01  -5.50982e-01 0.00000e+00 0.00000e+00 7.86604e+01 151.065 1.91960e+02 151.065 0.4934 
1 1 1 8  4  20 o 16 2.20616e+02 1.78724e+01 1.27035e+02 350.364 4.07056e+00  -6.91099e-01 0.00000e+00 0.00000e+00 1.20413e+02 350.364 6.62281e+00 170.364 0.8683 
1 1 1 8  4  21 o 17 2.83866e+02 4.26171e+01 2.09023e+02 64.561  4.14109e+00  8.70587e+00  0.00000e+00 0.00000e+00 1.41695e+02 64.561  6.73278e+01 244.561 0.9466 
1 1 1 8  4  22 o 18 9.32472e+01 2.82834e+01 5.96839e+01 175.726 -9.49459e-01 7.09563e-02  0.00000e+00 0.00000e+00 6.88365e+00 355.726 6.65675e+01 355.726 0.4292 
1 1 1 8  4  24 o 14 2.07040e+02 2.18654e+01 7.62508e+01 311.488 3.14888e+00  -3.56072e+00 0.00000e+00 0.00000e+00 1.71831e+02 311.488 9.55798e+01 311.488 0.8873 
1 1 1 8  4  25 o 11 1.54494e+02 4.73105e+01 1.24392e+02 126.475 -2.65006e+00 3.58457e+00  0.00000e+00 0.00000e+00 6.12853e+01 126.475 6.31071e+01 306.475 0.8791 
1 1 1 8  4  26 o 6  1.54570e+02 2.93554e+01 6.74872e+01 61.903  1.86417e+00  3.49170e+00  0.00000e+00 0.00000e+00 1.17008e+02 61.903  4.95212e+01 61.903  0.8619 
1 1 1 8  4  27 o 3  9.77880e+01 3.16365e+01 2.05671e+01 9.379   8.18795e-01  1.35242e-01  0.00000e+00 0.00000e+00 3.19824e+01 9.379   1.14153e+01 9.379   0.3829 
1 1 1 8  4  28 o 17 8.01264e+01 3.04037e+01 4.67098e+01 174.822 -1.78321e+00 1.61605e-01  0.00000e+00 0.00000e+00 2.85706e+01 174.822 1.81392e+01 354.822 0.6602 
1 1 1 8  4  29 o 7  1.67509e+02 2.65389e+01 1.03240e+02 226.338 -6.94873e+00 -7.28097e+00 0.00000e+00 0.00000e+00 1.26245e+02 226.338 2.30044e+01 226.338 0.9489 
1 1 1 8  4  30 o 13 9.03413e+01 2.86814e+01 6.47141e+01 193.293 -3.65866e+00 -8.64370e-01 0.00000e+00 0.00000e+00 4.82842e+01 193.293 1.64299e+01 13.293  0.8536 
1 1 1 8  4  31 o 15 8.26210e+01 3.41025e+01 6.36642e+01 57.724  1.79657e+00  2.84456e+00  0.00000e+00 0.00000e+00 3.88340e+01 57.724  2.48302e+01 237.724 0.8337 
1 1 1 8  4  32 f 0  4.59559e+01 2.22114e+01 3.51623e+01 18.624  1.64580e+00  5.54624e-01  0.00000e+00 0.00000e+00 9.96130e+00 18.624  2.52010e+01 198.623 0.6494 
1 1 1 8  4  33 o 2  5.05600e+01 2.39773e+01 1.89091e+01 13.191  1.01251e+00  2.37322e-01  0.00000e+00 0.00000e+00 1.68633e+01 13.191  2.04580e+00 193.191 0.4604 
1 1 1 8  4  34 o 3  5.63296e+01 2.63136e+01 2.78845e+01 298.729 8.71291e-01  -1.58951e+00 0.00000e+00 0.00000e+00 3.06204e+01 298.729 2.73597e+00 298.729 0.6645 
1 1 1 8  4  35 o 14 7.14012e+01 3.04910e+01 1.80685e+01 241.505 -6.28690e-01 -1.15815e+00 0.00000e+00 0.00000e+00 4.41364e+01 241.505 2.60679e+01 241.505 0.5478 
1 1 1 8  4  36 o 18 6.70810e+01 2.98126e+01 1.98275e+01 1.924   1.47875e+00  4.96642e-02  0.00000e+00 0.00000e+00 4.43714e+01 1.924   2.45440e+01 1.924   0.5910 
1 1 1 8  5  0  o 6  2.35138e+02 2.09411e+01 9.97577e+01 0.000   7.03173e-01  0.00000e+00  0.00000e+00 0.00000e+00 6.75523e+01 0.000   3.22053e+01 180.000 0.6064 
1 1 1 8  5  1  o 8  9.40042e+02 4.18225e+01 5.11673e+02 178.548 -2.72708e+01 6.91298e-01  0.00000e+00 0.00000e+00 5.71259e+02 178.548 5.95861e+01 178.548 0.9815 
1 1 1 8  5  2  o 8  9.22161e+02 2.89320e+01 4.71442e+02 175.466 -2.51070e+01 1.99106e+00  0.00000e+00 0.00000e+00 5.90010e+02 175.466 1.18567e+02 175.466 0.9799 
1 1 1 8  5  3  o 19 1.80401e+02 1.40769e+01 1.68762e+02 331.997 2.16766e+00  -1.15272e+00 0.00000e+00 0.00000e+00 7.51005e+00 151.997 1.76272e+02 151.997 0.7600 
1 1 1 8  5  4  o 11 6.68279e+02 1.84678e+01 3.87739e+02 6.536   2.01783e+01  2.31185e+00  0.00000e+00 0.00000e+00 3.79972e+02 6.536   7.76655e+00 186.536 0.9751 
1 1 1 8  5  5  o 1  4.83486e+02 1.50424e+01 4.14556e+02 84.437  1.49022e+00  1.52992e+01  0.00000e+00 0.00000e+00 1.37473e+02 84.437  2.77083e+02 264.437 0.9669 
1 1 1 8  5  6  o 11 1.98567e+02 9.99856e+00 1.39095e+02 179.071 -2.22034e+00 3.60177e-02  0.00000e+00 0.00000e+00 3.27543e+01 179.071 1.06340e+02 359.071 0.7309 
1 1 1 8  5  7  o 16 5.66116e+02 1.43628e+01 4.97693e+02 233.862 -1.32812e+01 -1.81877e+01 0.00000e+00 0.00000e+00 1.59755e+02 233.862 3.37938e+02 53.862  0.9775 
1 1 1 8  5  8  o 14 2.04031e+02 1.03293e+01 1.70775e+02 151.106 -2.35470e+00 1.29956e+00  0.00000e+00 0.00000e+00 2.00117e+01 151.106 1.50764e+02 331.106 0.7841 
1 1 1 8  5  9  o 18 1.10205e+02 1.13440e+01 7.32923e+01 33.909  6.67942e-01  4.48998e-01  0.00000e+00 0.00000e+00 2.40619e+01 213.909 9.73542e+01 213.909 0.3730 
1 1 1 8  5  10 o 7  3.16851e+02 1.11967e+01 1.69720e+02 260.911 -7.62624e-01 -4.76685e+00 0.00000e+00 0.00000e+00 1.69337e+02 260.911 3.82656e-01 80.911  0.8892 
1 1 1 8  5  11 o 2  9.16160e+01 1.33477e+01 1.00966e+02 100.839 -1.91759e-01 1.00150e+00  0.00000e+00 0.00000e+00 5.07216e+01 280.839 1.51688e+02 280.839 0.4533 
1 1 1 8  5  12 o 13 2.06221e+02 1.12832e+01 1.46534e+02 283.287 8.87553e-01  -3.75848e+00 0.00000e+00 0.00000e+00 6.87649e+01 283.287 7.77694e+01 103.287 0.8580 
1 1 1 8  5  13 o 14 3.18563e+02 1.34663e+01 1.72301e+02 278.992 9.81352e-01  -6.20143e+00 0.00000e+00 0.00000e+00 1.85205e+02 278.992 1.29043e+01 278.992 0.9165 
1 1 1 8  5  14 o 11 2.23481e+02 1.42232e+01 1.00424e+02 222.179 -2.31773e+00 -2.10005e+00 0.00000e+00 0.00000e+00 1.25230e+02 222.179 2.48059e+01 222.179 0.8190 
1 1 1 8  5  15 o 18 4.64502e+02 1.38312e+01 2.32162e+02 80.064  3.07141e+00  1.75333e+01  0.00000e+00 0.00000e+00 3.28271e+02 80.064  9.61089e+01 80.064  0.9715 
1 1 1 8  5  16 o 13 1.54669e+02 1.66602e+01 1.29069e+02 27.144  3.09137e+00  1.58492e+00  0.00000e+00 0.00000e+00 3.34997e+01 27.144  9.55688e+01 207.144 0.8397 
1 1 1 8  5  17 o 3  9.65400e+01 2.83393e+01 9.55837e+01 350.044 1.56300e+00  -2.74349e-01 0.00000e+00 0.00000e+00 2.04178e+01 170.044 1.16002e+02 170.044 0.6169 
1 1 1 8  5  18 o 10 1.60895e+02 2.44107e+01 6.00636e+01 225.059 -1.29164e+00 -1.29430e+00 0.00000e+00 0.00000e+00 7.66903e+01 225.059 1.66268e+01 225.059 0.6675 
1 1 1 8  5  19 o 6  1.40927e+02 2.43134e+01 1.33995e+02 296.032 1.60386e+00  -3.28378e+00 0.00000e+00 0.00000e+00 1.97441e+01 296.032 1.14250e+02 116.032 0.8488 
1 1 1 8  5  20 o 4  1.14404e+02 2.45894e+01 7.41729e+01 263.810 -1.43345e-01 -1.32175e+00 0.00000e+00 0.00000e+00 7.65753e+00 263.810 6.65153e+01 83.810  0.5511 
1 1 1 8  5  21 o 1  1.17335e+02 2.70244e+01 5.63176e+01 127.504 -6.79282e-01 8.85140e-01  0.00000e+00 0.00000e+00 1.84526e+01 127.504 3.78650e+01 307.504 0.4859 
1 1 1 8  5  22 o 6  3.06009e+02 4.37465e+01 1.80679e+02 84.076  8.74044e-01  8.42322e+00  0.00000e+00 0.00000e+00 2.00248e+02 84.076  1.95694e+01 84.076  0.9390 
1 1 1 8  5  23 o 11 2.22043e+02 1.94351e+01 1.24257e+02 95.286  -6.24902e-01 6.75415e+00  0.00000e+00 0.00000e+00 1.50559e+02 95.286  2.63017e+01 95.286  0.9230 
1 1 1 8  5  24 o 10 2.39482e+02 3.96916e+01 1.49294e+02 283.021 1.86399e+00  -8.06037e+00 0.00000e+00 0.00000e+00 1.55328e+02 283.021 6.03399e+00 283.021 0.9375 
1 1 1 8  5  25 o 9  1.65506e+02 2.57585e+01 6.60124e+01 270.982 5.75837e-02  -3.35900e+00 0.00000e+00 0.00000e+00 1.23474e+02 270.982 5.74614e+01 270.982 0.8334 
1 1 1 8  5  26 o 19 1.90343e+02 3.10786e+01 8.42827e+01 39.392  4.50020e+00  3.69540e+00  0.00000e+00 0.00000e+00 1.56618e+02 39.392  7.23355e+01 39.392  0.9095 
1 1 1 8  5  27 o 10 1.47646e+02 2.63753e+01 7.33694e+01 209.329 -4.25599e+00 -2.39119e+00 0.00000e+00 0.00000e+00 1.12061e+02 209.329 3.86917e+01 209.329 0.8906 
1 1 1 8  5  28 o 6  1.32582e+02 3.32591e+01 6.50348e+01 154.879 -3.50277e+00 1.64237e+00  0.00000e+00 0.00000e+00 9.76809e+01 154.879 3.26461e+01 154.879 0.8583 
1 1 1 8  5  29 o 1  1.29397e+02 2.50558e+01 9.75645e+01 39.362  5.84777e+00  4.79697e+00  0.00000e+00 0.00000e+00 7.72543e+01 39.362  2.03102e+01 219.362 0.9313 
1 1 1 8  5  30 o 11 7.40741e+01 2.80726e+01 2.69912e+01 132.225 -8.75209e-01 9.64366e-01  0.00000e+00 0.00000e+00 3.22676e+01 132.225 5.27642e+00 132.225 0.5433 
1 1 1 8  5  31 o 11 7.54423e+01 2.95412e+01 2.16985e+01 121.126 -6.25787e-01 1.03633e+00  0.00000e+00 0.00000e+00 3.65141e+01 121.126 1.48157e+01 121.126 0.5161 
1 1 1 8  5  32 o 12 6.77330e+01 3.04045e+01 3.22008e+01 335.983 1.63155e+00  -7.26985e-01 0.00000e+00 0.00000e+00 3.56439e+01 335.983 3.44305e+00 335.983 0.6593 
1 1 1 8  5  33 o 7  6.67760e+01 2.87605e+01 4.28859e+01 195.556 -2.54212e+00 -7.07689e-01 0.00000e+00 0.00000e+00 3.74738e+01 195.556 5.41213e+00 15.556  0.7793 
1 1 1 8  5  34 o 13 5.89225e+01 2.69098e+01 8.79083e+00 293.737 2.33118e-01  -5.30118e-01 0.00000e+00 0.00000e+00 1.69413e+01 293.737 8.15045e+00 293.737 0.2781 
1 1 1 8  5  35 o 18 4.68123e+01 2.30228e+01 3.63134e+01 313.238 1.73074e+00  -1.84060e+00 0.00000e+00 0.00000e+00 2.11316e+01 313.238 1.51818e+01 133.238 0.7679 
1 1 1 8  5  36 o 13 5.95509e+01 2.76312e+01 1.99711e+01 229.823 -9.58440e-01 -1.13508e+00 0.00000e+00 0.00000e+00 3.74415e+01 229.823 1.74704e+01 229.823 0.5926 
1 1 1 8  6  0  o 13 8.39693e+02 3.81955e+01 5.52538e+02 180.000 -1.80884e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.38574e+02 180.000 1.13964e+02 0.000   1.0000 
1 1 1 8  6  1  o 18 5.92825e+02 2.08657e+01 3.17801e+02 33.849  1.23298e+01  8.26933e+00  0.00000e+00 0.00000e+00 3.58104e+02 33.849  4.03028e+01 33.849  0.9657 
1 1 1 8  6  2  o 18 6.41042e+02 2.19779e+01 4.05272e+02 12.583  1.97551e+01  4.40966e+00  0.00000e+00 0.00000e+00 3.33178e+02 12.583  7.20940e+01 192.583 0.9750 
1 1 1 8  6  3  o 12 5.77082e+02 2.04941e+01 2.99524e+02 276.114 1.41709e+00  -1.32293e+01 0.00000e+00 0.00000e+00 3.56991e+02 276.114 5.74670e+01 276.114 0.9617 
1 1 1 8  6  4  o 6  1.52646e+02 1.14821e+01 9.00286e+01 5.826   1.12394e+00  1.14689e-01  0.00000e+00 0.00000e+00 1.29922e+00 185.826 9.13278e+01 185.826 0.4905 
1 1 1 8  6  5  o 11 2.43059e+02 1.18568e+01 1.38009e+02 146.784 -2.24723e+00 1.47145e+00  0.00000e+00 0.00000e+00 8.82792e+01 146.784 4.97299e+01 326.784 0.7838 
1 1 1 8  6  6  o 9  6.15673e+02 1.51443e+01 2.73718e+02 188.008 -1.33707e+01 -1.88113e+00 0.00000e+00 0.00000e+00 4.31904e+02 188.008 1.58186e+02 188.008 0.9622 
1 1 1 8  6  7  o 18 8.57660e+01 1.17081e+01 7.94848e+01 73.515  1.50405e-01  5.08241e-01  0.00000e+00 0.00000e+00 5.32345e+01 253.515 1.32719e+02 253.515 0.2561 
1 1 1 8  6  8  o 7  1.91938e+02 1.03710e+01 1.24698e+02 224.500 -1.72579e+00 -1.69595e+00 0.00000e+00 0.00000e+00 4.93515e+01 224.500 7.53464e+01 44.500  0.7560 
1 1 1 8  6  9  o 2  2.35387e+02 1.05014e+01 1.15913e+02 293.664 1.00100e+00  -2.28421e+00 0.00000e+00 0.00000e+00 1.00826e+02 293.664 1.50870e+01 113.664 0.7643 
1 1 1 8  6  10 o 12 1.84532e+02 1.06555e+01 8.72558e+01 45.275  1.28046e+00  1.29281e+00  0.00000e+00 0.00000e+00 6.14669e+01 45.275  2.57889e+01 225.275 0.6658 
1 1 1 8  6  11 f 0  3.54394e+02 1.17864e+01 1.13190e+02 94.696  -4.29198e-01 5.22539e+00  0.00000e+00 0.00000e+00 2.74396e+02 94.696  1.61207e+02 94.696  0.8987 
1 1 1 8  6  12 o 15 1.45337e+02 1.22404e+01 1.16196e+02 190.812 -2.35197e+00 -4.49154e-01 0.00000e+00 0.00000e+00 1.77571e+01 190.812 9.84386e+01 10.812  0.7530 
1 1 1 8  6  13 o 1  1.05548e+02 1.75646e+01 1.25239e+02 331.351 1.28887e+00  -7.04147e-01 0.00000e+00 0.00000e+00 4.87579e+01 151.351 1.73997e+02 151.351 0.5883 
1 1 1 8  6  14 o 1  5.70800e+02 1.74591e+01 1.83406e+02 183.013 -1.80256e+01 -9.48740e-01 0.00000e+00 0.00000e+00 5.04566e+02 183.013 3.21160e+02 183.013 0.9719 
1 1 1 8  6  15 o 6  6.87583e+01 2.10256e+01 1.00115e+02 285.988 3.00003e-01  -1.04705e+00 0.00000e+00 0.00000e+00 5.91348e+01 105.988 1.59250e+02 105.988 0.4771 
1 1 1 8  6  17 o 18 1.47877e+02 2.59662e+01 2.82736e+01 68.554  3.10318e-01  7.89959e-01  0.00000e+00 0.00000e+00 4.49882e+01 68.554  1.67146e+01 68.554  0.3902 
1 1 1 8  6  18 o 11 1.14623e+02 2.79993e+01 1.20104e+02 258.870 -4.85478e-01 -2.46760e+00 0.00000e+00 0.00000e+00 7.55820e+00 78.870  1.27663e+02 78.870  0.7666 
1 1 1 8  6  19 o 19 4.92227e+02 1.55090e+01 3.40821e+02 36.797  2.68573e+01  2.00894e+01  0.00000e+00 0.00000e+00 2.85980e+02 36.797  5.48417e+01 216.797 0.9850 
1 1 1 8  6  20 o 16 9.48500e+01 2.67544e+01 7.30057e+01 260.695 -1.71593e-01 -1.04731e+00 0.00000e+00 0.00000e+00 1.50898e+01 80.695  8.80955e+01 80.695  0.4677 
1 1 1 8  6  23 o 16 1.98470e+02 2.08451e+01 1.49002e+02 66.558  3.15888e+00  7.28507e+00  0.00000e+00 0.00000e+00 1.01215e+02 66.558  4.77870e+01 246.558 0.9347 
1 1 1 8  6  24 o 1  1.37046e+02 2.86530e+01 1.16869e+02 167.902 -4.08143e+00 8.74852e-01  0.00000e+00 0.00000e+00 4.58433e+01 167.902 7.10255e+01 347.902 0.8699 
1 1 1 8  6  25 o 2  1.68084e+02 2.55207e+01 1.26954e+02 252.544 -2.44111e+00 -7.76304e+00 0.00000e+00 0.00000e+00 9.05309e+01 252.544 3.64227e+01 72.544  0.9364 
1 1 1 8  6  26 o 2  7.16804e+01 2.99114e+01 7.82264e+01 270.128 4.61633e-03  -2.06056e+00 0.00000e+00 0.00000e+00 7.24451e+00 90.128  8.54709e+01 90.128  0.7075 
1 1 1 8  6  27 o 12 5.28832e+01 2.43714e+01 1.00145e+01 151.124 -2.19283e-01 1.20928e-01  0.00000e+00 0.00000e+00 6.94623e-01 331.124 1.07091e+01 331.124 0.1242 
1 1 1 8  6  28 o 16 7.94470e+01 3.16509e+01 3.97295e+01 53.766  7.95545e-01  1.08561e+00  0.00000e+00 0.00000e+00 2.37681e+01 53.766  1.59614e+01 233.766 0.5557 
1 1 1 8  6  29 o 11 1.61069e+02 2.16210e+01 8.42244e+01 65.946  3.84717e+00  8.61908e+00  0.00000e+00 0.00000e+00 1.37981e+02 65.946  5.37561e+01 65.946  0.9454 
1 1 1 8  6  30 o 1  1.00621e+02 2.84954e+01 6.60382e+01 351.843 4.63326e+00  -6.64108e-01 0.00000e+00 0.00000e+00 6.59093e+01 351.843 1.28870e-01 171.843 0.8854 
1 1 1 8  6  31 o 12 9.62903e+01 3.21418e+01 6.15738e+01 270.102 7.73948e-03  -4.34653e+00 0.00000e+00 0.00000e+00 6.52373e+01 270.102 3.66354e+00 270.102 0.8756 
1 1 1 8  6  32 o 10 5.84976e+01 2.75641e+01 3.04678e+01 229.020 -1.06201e+00 -1.22259e+00 0.00000e+00 0.00000e+00 2.53383e+01 229.020 5.12952e+00 49.020  0.6243 
1 1 1 8  6  33 o 6  5.53163e+01 2.56452e+01 2.76115e+01 152.161 -1.52454e+00 8.05143e-01  0.00000e+00 0.00000e+00 2.79693e+01 152.161 3.57768e-01 152.161 0.6469 
1 1 1 8  6  34 o 4  4.64381e+01 2.27146e+01 4.22431e+01 133.448 -1.82739e+00 1.92917e+00  0.00000e+00 0.00000e+00 1.50592e+01 133.448 2.71839e+01 313.448 0.7811 
1 1 1 8  6  35 o 14 4.41849e+01 2.20336e+01 7.26594e+00 30.400  4.80736e-01  2.82049e-01  0.00000e+00 0.00000e+00 1.17978e+01 30.400  4.53191e+00 30.400  0.2684 
1 1 1 8  6  36 o 14 6.52004e+01 2.95288e+01 1.21883e+01 292.986 3.53544e-01  -8.33468e-01 0.00000e+00 0.00000e+00 3.17585e+01 292.986 1.95702e+01 292.986 0.4118 
1 1 1 8  7  0  o 14 1.89818e+02 2.07473e+01 1.38347e+01 180.000 -1.08164e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.04730e+01 180.000 3.36164e+00 0.000   0.1077 
1 1 1 8  7  1  o 7  5.71215e+02 1.66475e+01 2.41501e+02 264.174 -1.14668e+00 -1.12382e+01 0.00000e+00 0.00000e+00 4.06789e+02 264.174 1.65288e+02 264.174 0.9547 
1 1 1 8  7  2  o 7  4.23897e+02 1.73375e+01 2.62091e+02 274.711 7.39860e-01  -8.97869e+00 0.00000e+00 0.00000e+00 2.13362e+02 274.711 4.87283e+01 94.711  0.9428 
1 1 1 8  7  3  o 7  5.55586e+02 2.00375e+01 2.48166e+02 33.436  9.15452e+00  6.04445e+00  0.00000e+00 0.00000e+00 3.82741e+02 33.436  1.34574e+02 33.436  0.9533 
1 1 1 8  7  4  o 15 6.89529e+02 1.88802e+01 4.20787e+02 121.829 -1.19660e+01 1.92772e+01  0.00000e+00 0.00000e+00 3.83715e+02 121.829 3.70723e+01 301.829 0.9777 
1 1 1 8  7  5  o 16 2.43822e+02 1.19026e+01 2.01719e+02 81.057  6.10523e-01  3.87960e+00  0.00000e+00 0.00000e+00 4.92727e+01 81.057  1.52446e+02 261.057 0.8607 
1 1 1 8  7  6  o 18 4.50070e+02 1.46377e+01 2.49504e+02 223.030 -6.34674e+00 -5.92464e+00 0.00000e+00 0.00000e+00 2.58189e+02 223.030 8.68584e+00 223.030 0.9405 
1 1 1 8  7  7  o 8  1.17510e+02 1.06514e+01 1.50344e+02 142.281 -1.41677e+00 1.09576e+00  0.00000e+00 0.00000e+00 5.69766e+01 322.281 2.07321e+02 322.281 0.6603 
1 1 1 8  7  8  o 18 3.01447e+02 1.09550e+01 8.98977e+01 135.230 -1.77141e+00 1.75723e+00  0.00000e+00 0.00000e+00 1.88452e+02 135.230 9.85544e+01 135.230 0.7645 
1 1 1 8  7  9  o 12 2.37974e+02 1.05869e+01 2.20610e+02 185.913 -5.97260e+00 -6.18617e-01 0.00000e+00 0.00000e+00 4.27881e+01 185.913 1.77822e+02 5.913   0.9124 
1 1 1 8  7  10 o 5  6.32886e+02 1.55376e+01 3.20558e+02 326.281 2.22156e+01  -1.48265e+01 0.00000e+00 0.00000e+00 4.36278e+02 326.281 1.15720e+02 326.281 0.9811 
1 1 1 8  7  11 o 16 3.89999e+02 1.22973e+01 2.57413e+02 267.069 -7.41265e-01 -1.44799e+01 0.00000e+00 0.00000e+00 2.03689e+02 267.069 5.37239e+01 87.069  0.9649 
1 1 1 8  7  12 o 16 1.22240e+02 1.29841e+01 1.12690e+02 185.314 -1.57163e+00 -1.46188e-01 0.00000e+00 0.00000e+00 2.00459e+01 5.314   1.32736e+02 5.314   0.6149 
1 1 1 8  7  13 o 18 4.43516e+02 1.52657e+01 2.99257e+02 94.851  -1.56699e+00 1.84644e+01  0.00000e+00 0.00000e+00 2.35774e+02 94.851  6.34824e+01 274.851 0.9726 
1 1 1 8  7  14 o 18 2.92273e+02 1.20602e+01 2.36179e+02 216.551 -9.26844e+00 -6.87096e+00 0.00000e+00 0.00000e+00 1.12605e+02 216.551 1.23574e+02 36.551  0.9556 
1 1 1 8  7  15 o 16 1.36461e+02 1.54212e+01 1.02768e+02 9.922   2.43974e+00  4.26761e-01  0.00000e+00 0.00000e+00 2.81117e+01 9.922   7.46562e+01 189.922 0.7624 
1 1 1 8  7  17 o 18 9.62928e+01 2.25586e+01 4.73588e+01 201.043 -8.68719e-01 -3.34226e-01 0.00000e+00 0.00000e+00 4.50688e+00 201.043 4.28520e+01 21.043  0.4213 
1 1 1 8  7  19 o 12 3.11873e+02 1.67606e+01 1.77455e+02 189.659 -8.13739e+00 -1.38501e+00 0.00000e+00 0.00000e+00 2.03093e+02 189.659 2.56378e+01 189.659 0.9373 
1 1 1 8  7  21 o 16 3.63719e+02 1.60945e+01 2.40674e+02 29.800  1.40103e+01  8.02376e+00  0.00000e+00 0.00000e+00 2.27259e+02 29.800  1.34152e+01 209.800 0.9685 
1 1 1 8  7  22 o 4  3.16928e+02 4.49187e+01 1.12664e+02 211.985 -5.26287e+00 -3.28664e+00 0.00000e+00 0.00000e+00 2.76923e+02 211.985 1.64260e+02 211.985 0.9154 
1 1 1 8  7  23 o 10 1.87065e+02 5.95461e+01 1.41757e+02 331.375 4.34225e+00  -2.36991e+00 0.00000e+00 0.00000e+00 8.49015e+01 331.375 5.68555e+01 151.375 0.8921 
1 1 1 8  7  24 o 2  1.15451e+02 3.06151e+01 6.15257e+01 71.309  6.49137e-01  1.91878e+00  0.00000e+00 0.00000e+00 4.98499e+01 71.309  1.16758e+01 251.309 0.7019 
1 1 1 8  7  25 o 19 2.12121e+02 2.64877e+01 1.66802e+02 142.359 -1.12409e+01 8.66945e+00  0.00000e+00 0.00000e+00 1.17756e+02 142.359 4.90465e+01 322.359 0.9641 
1 1 1 8  7  26 o 7  1.02867e+02 3.15559e+01 6.85576e+01 221.323 -1.84480e+00 -1.62199e+00 0.00000e+00 0.00000e+00 4.16564e+01 221.323 2.69012e+01 41.323  0.7602 
1 1 1 8  7  27 o 8  9.95462e+01 3.03274e+01 3.72261e+01 310.535 1.12616e+00  -1.31695e+00 0.00000e+00 0.00000e+00 5.50057e+01 310.535 1.77796e+01 310.535 0.6486 
1 1 1 8  7  28 o 9  1.57074e+02 2.32825e+01 9.10227e+01 6.001   7.39612e+00  7.77440e-01  0.00000e+00 0.00000e+00 1.20576e+02 6.001   2.95530e+01 6.001   0.9301 
1 1 1 8  7  29 o 19 8.16501e+01 2.81310e+01 5.28490e+01 221.122 -2.02264e+00 -1.76584e+00 0.00000e+00 0.00000e+00 4.11727e+01 221.122 1.16764e+01 41.122  0.7837 
1 1 1 8  7  30 o 11 4.65048e+01 2.20260e+01 4.40757e+01 146.366 -1.54950e+00 1.03082e+00  0.00000e+00 0.00000e+00 2.64070e+00 146.366 4.14350e+01 326.366 0.6736 
1 1 1 8  7  31 f 0  6.35843e+01 2.71906e+01 5.43014e+01 311.428 2.10756e+00  -2.38819e+00 0.00000e+00 0.00000e+00 2.49306e+01 311.428 2.93708e+01 131.428 0.8228 
1 1 1 8  7  32 o 13 5.73889e+01 2.72924e+01 1.83288e+01 225.304 -6.96813e-01 -7.04259e-01 0.00000e+00 0.00000e+00 2.07986e+01 225.304 2.46976e+00 225.304 0.4431 
1 1 1 8  7  33 o 19 7.42998e+01 3.04986e+01 2.45355e+01 84.790  1.50041e-01  1.64546e+00  0.00000e+00 0.00000e+00 4.88649e+01 84.790  2.43294e+01 84.790  0.6316 
1 1 1 8  7  34 o 10 5.19391e+01 2.47726e+01 9.22127e+00 318.799 4.62811e-01  -4.05171e-01 0.00000e+00 0.00000e+00 1.50596e+01 318.799 5.83834e+00 318.799 0.2939 
1 1 1 8  7  35 o 4  5.31955e+01 2.57246e+01 2.97259e+01 116.484 -9.77270e-01 1.96145e+00  0.00000e+00 0.00000e+00 3.28608e+01 116.484 3.13487e+00 116.484 0.7268 
1 1 1 8  7  36 o 3  4.25426e+01 2.12676e+01 2.43727e+01 109.138 -6.63991e-01 1.91334e+00  0.00000e+00 0.00000e+00 2.48354e+01 109.138 4.62664e-01 109.138 0.7019 
1 1 1 8  8  0  o 7  4.63891e+01 2.38028e+01 5.76735e+01 0.000   1.04970e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.18608e+01 180.000 1.09534e+02 180.000 0.1046 
1 1 1 8  8  1  o 5  3.12095e+02 1.25967e+01 1.75986e+02 343.677 4.14913e+00  -1.21510e+00 0.00000e+00 0.00000e+00 1.51234e+02 343.677 2.47514e+01 163.677 0.8749 
1 1 1 8  8  2  o 12 4.63958e+02 1.48286e+01 3.76486e+02 233.432 -8.39177e+00 -1.13127e+01 0.00000e+00 0.00000e+00 1.59803e+02 233.432 2.16683e+02 53.432  0.9638 
1 1 1 8  8  3  f 0  9.55484e+01 1.62000e+01 2.07263e+01 120.282 -7.92937e-02 1.35795e-01  0.00000e+00 0.00000e+00 1.17330e+01 300.282 3.24593e+01 300.282 0.0784 
1 1 1 8  8  4  o 18 2.64093e+02 1.21215e+01 2.05694e+02 28.306  3.74903e+00  2.01919e+00  0.00000e+00 0.00000e+00 7.15694e+01 28.306  1.34124e+02 208.306 0.8728 
1 1 1 8  8  5  o 14 3.51267e+02 1.31516e+01 2.35726e+02 162.032 -8.11886e+00 2.63290e+00  0.00000e+00 0.00000e+00 1.62139e+02 162.032 7.35872e+01 342.032 0.9395 
1 1 1 8  8  6  o 7  2.03707e+02 1.18512e+01 1.60010e+02 242.628 -1.50642e+00 -2.90963e+00 0.00000e+00 0.00000e+00 4.40390e+01 242.628 1.15971e+02 62.628  0.8285 
1 1 1 8  8  7  o 18 5.32855e+02 1.38872e+01 3.01882e+02 11.768  1.44160e+01  3.00339e+00  0.00000e+00 0.00000e+00 3.22111e+02 11.768  2.02286e+01 11.768  0.9654 
1 1 1 8  8  8  o 2  2.16007e+02 1.04835e+01 4.39108e+01 210.171 -9.40804e-01 -5.46927e-01 0.00000e+00 0.00000e+00 8.14845e+01 210.171 3.75737e+01 210.171 0.4768 
1 1 1 8  8  9  f 0  6.06262e+02 1.51193e+01 1.55413e+02 214.015 -1.03652e+01 -6.99544e+00 0.00000e+00 0.00000e+00 5.55638e+02 214.015 4.00225e+02 214.015 0.9591 
1 1 1 8  8  10 o 11 4.93592e+02 1.35173e+01 2.56963e+02 135.316 -1.31286e+01 1.29848e+01  0.00000e+00 0.00000e+00 3.32844e+02 135.316 7.58812e+01 135.316 0.9725 
1 1 1 8  8  11 o 18 1.88235e+02 1.11819e+01 1.06370e+02 298.724 1.12176e+00  -2.04693e+00 0.00000e+00 0.00000e+00 6.70085e+01 298.724 3.93613e+01 118.724 0.7457 
1 1 1 8  8  12 o 12 4.13224e+02 1.27150e+01 1.86931e+02 10.028  1.08679e+01  1.92188e+00  0.00000e+00 0.00000e+00 3.02611e+02 10.028  1.15680e+02 10.028  0.9536 
1 1 1 8  8  13 o 3  4.68937e+02 1.57162e+01 2.70349e+02 122.125 -1.16712e+01 1.85877e+01  0.00000e+00 0.00000e+00 3.02420e+02 122.125 3.20706e+01 122.125 0.9769 
1 1 1 8  8  14 o 7  2.41059e+02 1.24031e+01 2.21530e+02 218.930 -6.77637e+00 -5.47376e+00 0.00000e+00 0.00000e+00 6.39225e+01 218.930 1.57607e+02 38.930  0.9407 
1 1 1 8  8  16 o 8  4.59448e+01 1.97159e+01 4.55302e+01 130.320 -2.87276e-01 3.38509e-01  0.00000e+00 0.00000e+00 3.28069e+01 310.320 7.83371e+01 310.320 0.2167 
1 1 1 8  8  18 o 2  2.53575e+02 3.97258e+01 1.78274e+02 35.016  6.36926e+00  4.46243e+00  0.00000e+00 0.00000e+00 1.29405e+02 35.016  4.88690e+01 215.016 0.9333 
1 1 1 8  8  19 o 7  1.20253e+02 4.08157e+01 8.24694e+01 271.338 3.27721e-02  -1.40319e+00 0.00000e+00 0.00000e+00 7.69578e+00 271.338 7.47736e+01 91.338  0.5714 
1 1 1 8  8  20 o 16 5.53103e+02 1.87085e+01 2.12757e+02 252.676 -6.20643e+00 -1.98975e+01 0.00000e+00 0.00000e+00 5.02429e+02 252.676 2.89672e+02 252.676 0.9757 
1 1 1 8  8  21 o 4  2.81734e+02 4.76195e+01 2.63758e+02 38.806  8.59363e+00  6.91101e+00  0.00000e+00 0.00000e+00 9.59528e+01 38.806  1.67805e+02 218.806 0.9535 
1 1 1 8  8  24 o 13 1.38443e+02 2.87735e+01 8.43639e+01 180.601 -3.50171e+00 -3.67064e-02 0.00000e+00 0.00000e+00 7.69751e+01 180.601 7.38878e+00 0.601   0.8412 
1 1 1 8  8  25 o 19 1.89541e+02 2.84917e+01 1.05531e+02 20.219  7.24601e+00  2.66873e+00  0.00000e+00 0.00000e+00 1.42455e+02 20.219  3.69244e+01 20.219  0.9328 
1 1 1 8  8  26 o 8  2.25620e+02 1.91181e+01 1.10116e+02 53.469  7.53266e+00  1.01683e+01  0.00000e+00 0.00000e+00 1.97497e+02 53.469  8.73806e+01 53.469  0.9596 
1 1 1 8  8  27 o 5  5.39231e+01 2.52212e+01 4.76477e+01 30.962  1.17558e+00  7.05293e-01  0.00000e+00 0.00000e+00 3.96857e+00 210.962 5.16162e+01 210.962 0.5626 
1 1 1 8  8  28 o 2  1.00761e+02 3.12228e+01 3.45910e+01 233.214 -1.09481e+00 -1.46422e+00 0.00000e+00 0.00000e+00 6.35980e+01 233.214 2.90069e+01 233.214 0.6675 
1 1 1 8  8  29 o 12 1.61950e+02 2.21689e+01 9.45541e+01 253.987 -3.02886e+00 -1.05537e+01 0.00000e+00 0.00000e+00 1.34114e+02 253.987 3.95602e+01 253.987 0.9533 
1 1 1 8  8  30 o 6  1.02016e+02 3.04908e+01 4.50879e+01 190.980 -3.25523e+00 -6.31577e-01 0.00000e+00 0.00000e+00 8.23374e+01 190.980 3.72496e+01 190.980 0.8309 
1 1 1 8  8  31 o 5  1.08362e+02 3.00802e+01 4.96096e+01 124.195 -2.43650e+00 3.58589e+00  0.00000e+00 0.00000e+00 9.51874e+01 124.195 4.55778e+01 124.195 0.8753 
1 1 1 8  8  32 o 6  6.46087e+01 2.78318e+01 1.62636e+01 162.410 -9.35166e-01 2.96465e-01  0.00000e+00 0.00000e+00 2.77929e+01 162.410 1.15293e+01 162.410 0.4396 
1 1 1 8  8  33 o 19 7.50402e+01 3.26653e+01 2.43605e+01 40.260  1.21484e+00  1.02880e+00  0.00000e+00 0.00000e+00 4.87652e+01 40.260  2.44047e+01 40.260  0.6181 
1 1 1 8  8  34 o 6  6.70547e+01 2.94792e+01 4.30466e+01 10.486  3.04307e+00  5.63234e-01  0.00000e+00 0.00000e+00 4.47766e+01 10.486  1.73002e+00 10.486  0.8168 
1 1 1 8  8  35 o 4  5.84575e+01 2.76533e+01 1.94909e+01 291.943 5.23256e-01  -1.29883e+00 0.00000e+00 0.00000e+00 3.49264e+01 291.943 1.54355e+01 291.943 0.5705 
1 1 1 8  8  36 o 13 4.68652e+01 2.32182e+01 6.74461e+00 220.776 -4.08390e-01 -3.52211e-01 0.00000e+00 0.00000e+00 1.35200e+01 220.776 6.77538e+00 220.776 0.2603 
1 1 1 8  9  0  o 4  7.77968e+02 3.61962e+01 4.28320e+02 180.000 -1.26887e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.12233e+02 180.000 8.39135e+01 180.000 1.0000 
1 1 1 8  9  1  o 4  3.14109e+02 1.26556e+01 2.37660e+02 43.332  4.22103e+00  3.98214e+00  0.00000e+00 0.00000e+00 1.07693e+02 43.332  1.29967e+02 223.332 0.9092 
1 1 1 8  9  2  o 17 1.79510e+02 1.17209e+01 5.94127e+01 0.385   1.11018e+00  7.46093e-03  0.00000e+00 0.00000e+00 4.57503e+01 0.385   1.36624e+01 180.385 0.4841 
1 1 1 8  9  3  f 0  2.72557e+02 1.50443e+01 2.77334e+02 173.884 -7.68384e+00 8.23388e-01  0.00000e+00 0.00000e+00 3.07580e+01 173.884 2.46576e+02 353.884 0.9329 
1 1 1 8  9  4  o 11 2.38653e+02 1.48072e+01 4.23835e+01 150.066 -8.81335e-01 5.07483e-01  0.00000e+00 0.00000e+00 8.86692e+01 150.066 4.62857e+01 150.066 0.4524 
1 1 1 8  9  5  o 18 2.56585e+02 1.21761e+01 1.04429e+02 233.273 -1.49178e+00 -1.99941e+00 0.00000e+00 0.00000e+00 1.34196e+02 233.273 2.97667e+01 233.273 0.7644 
1 1 1 8  9  6  o 2  2.37933e+02 1.21428e+01 9.34538e+01 237.681 -1.07901e+00 -1.70555e+00 0.00000e+00 0.00000e+00 1.09959e+02 237.681 1.65049e+01 237.681 0.7007 
1 1 1 8  9  7  o 12 5.47855e+02 1.64209e+01 3.15351e+02 150.362 -1.69373e+01 9.63651e+00  0.00000e+00 0.00000e+00 3.37794e+02 150.362 2.24428e+01 150.362 0.9740 
1 1 1 8  9  8  f 0  4.19913e+02 1.23748e+01 1.97055e+02 192.612 -1.07686e+01 -2.40950e+00 0.00000e+00 0.00000e+00 2.94911e+02 192.612 9.78558e+01 192.612 0.9536 
1 1 1 8  9  9  o 18 5.98469e+02 1.50660e+01 3.32655e+02 324.386 2.35357e+01  -1.68586e+01 0.00000e+00 0.00000e+00 3.92950e+02 324.386 6.02947e+01 324.386 0.9826 
1 1 1 8  9  10 o 11 1.54885e+02 1.15239e+01 2.27079e+02 253.632 -1.16257e+00 -3.95812e+00 0.00000e+00 0.00000e+00 6.03583e+01 73.632  2.87437e+02 73.632  0.8682 
1 1 1 8  9  11 o 18 2.02076e+02 1.13328e+01 2.88387e+02 126.249 -4.98779e+00 6.80265e+00  0.00000e+00 0.00000e+00 5.19481e+01 306.249 3.40335e+02 306.249 0.9387 
1 1 1 8  9  12 f 0  1.11838e+02 1.63638e+01 2.06480e+02 37.066  3.22354e+00  2.43496e+00  0.00000e+00 0.00000e+00 8.51922e+01 217.066 2.91672e+02 217.066 0.8650 
1 1 1 8  9  13 o 5  2.70065e+02 1.40815e+01 8.55543e+01 108.455 -1.20604e+00 3.61398e+00  0.00000e+00 0.00000e+00 2.06033e+02 108.455 1.20478e+02 108.455 0.8558 
1 1 1 8  9  14 o 10 1.40787e+02 1.48073e+01 1.36454e+02 248.363 -1.24846e+00 -3.14734e+00 0.00000e+00 0.00000e+00 1.28571e+01 248.363 1.23597e+02 68.363  0.8349 
1 1 1 8  9  15 f 0  8.52914e+01 2.05271e+01 6.65475e+01 25.104  9.32849e-01  4.37053e-01  0.00000e+00 0.00000e+00 1.66751e+01 205.104 8.32226e+01 205.104 0.4570 
1 1 1 8  9  16 o 4  3.20933e+02 1.48927e+01 2.03333e+02 235.725 -7.40814e+00 -1.08701e+01 0.00000e+00 0.00000e+00 1.94490e+02 235.725 8.84259e+00 55.725  0.9612 
1 1 1 8  9  17 o 12 2.55003e+02 1.43352e+01 6.72806e+01 274.229 2.43599e-01  -3.29425e+00 0.00000e+00 0.00000e+00 2.07991e+02 274.229 1.40711e+02 274.229 0.8301 
1 1 1 8  9  18 o 2  1.34506e+02 1.96840e+01 7.57469e+01 63.047  6.86731e-01  1.35052e+00  0.00000e+00 0.00000e+00 3.01013e+01 63.047  4.56456e+01 243.047 0.5998 
1 1 1 8  9  20 o 5  2.74663e+02 1.61452e+01 9.24783e+01 328.972 4.05887e+00  -2.44147e+00 0.00000e+00 0.00000e+00 2.33283e+02 328.972 1.40805e+02 328.972 0.8869 
1 1 1 8  9  23 o 7  1.14340e+02 3.19383e+01 7.10585e+00 16.111  1.97211e-01  5.69646e-02  0.00000e+00 0.00000e+00 9.02222e+00 16.111  1.91638e+00 16.111  0.1021 
1 1 1 8  9  24 o 10 6.37467e+01 2.75862e+01 7.68062e+01 201.378 -1.69810e+00 -6.64728e-01 0.00000e+00 0.00000e+00 1.74037e+01 21.378  9.42099e+01 21.378  0.6666 
1 1 1 8  9  25 o 4  6.87689e+01 2.91140e+01 2.37568e+01 330.695 5.32915e-01  -2.99112e-01 0.00000e+00 0.00000e+00 4.67719e+00 330.695 1.90796e+01 150.696 0.2921 
1 1 1 8  9  26 o 3  4.77331e+01 2.23784e+01 5.57981e+01 356.181 1.30718e+00  -8.72679e-02 0.00000e+00 0.00000e+00 1.84628e+01 176.181 7.42609e+01 176.181 0.5456 
1 1 1 8  9  27 o 6  6.53030e+01 2.80251e+01 3.71207e+01 78.423  2.23678e-01  1.09193e+00  0.00000e+00 0.00000e+00 8.94796e+00 78.423  2.81727e+01 258.423 0.4855 
1 1 1 8  9  28 o 13 9.71947e+01 2.77535e+01 6.74797e+01 213.714 -3.30876e+00 -2.20780e+00 0.00000e+00 0.00000e+00 5.60487e+01 213.714 1.14310e+01 33.714  0.8627 
1 1 1 8  9  29 o 6  4.51015e+01 2.13696e+01 1.97292e+01 73.223  1.99744e-01  6.62530e-01  0.00000e+00 0.00000e+00 2.30076e+00 73.223  1.74284e+01 253.223 0.3268 
1 1 1 8  9  30 o 4  6.38311e+01 2.73857e+01 1.58464e+01 56.871  4.81793e-01  7.38250e-01  0.00000e+00 0.00000e+00 2.31627e+01 56.871  7.31626e+00 56.871  0.4029 
1 1 1 8  9  31 o 13 6.07549e+01 2.75862e+01 1.74296e+01 256.467 -2.25612e-01 -9.37338e-01 0.00000e+00 0.00000e+00 2.31462e+01 256.467 5.71654e+00 256.467 0.4335 
1 1 1 8  9  32 o 13 5.92125e+01 2.65908e+01 1.33439e+01 154.422 -7.17118e-01 3.43253e-01  0.00000e+00 0.00000e+00 2.08634e+01 154.422 7.51955e+00 154.422 0.3691 
1 1 1 8  9  33 o 4  6.07139e+01 2.86651e+01 1.21731e+01 61.090  3.66529e-01  6.63693e-01  0.00000e+00 0.00000e+00 2.20449e+01 61.090  9.87179e+00 61.090  0.3542 
1 1 1 8  9  34 o 18 6.77389e+01 2.96613e+01 1.61352e+01 45.639  7.98161e-01  8.16172e-01  0.00000e+00 0.00000e+00 3.80478e+01 45.639  2.19126e+01 45.639  0.4943 
1 1 1 8  9  35 o 2  5.64396e+01 2.67039e+01 2.12964e+01 328.861 1.34688e+00  -8.13740e-01 0.00000e+00 0.00000e+00 3.57465e+01 328.861 1.44501e+01 328.861 0.6138 
1 1 1 8  10 0  o 6  2.50624e+02 1.50004e+01 7.40942e+01 0.000   8.76560e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.41602e+02 0.000   6.75076e+01 0.000   0.7047 
1 1 1 8  10 1  o 2  3.44178e+02 1.30788e+01 1.64603e+02 157.474 -4.91211e+00 2.03724e+00  0.00000e+00 0.00000e+00 2.13914e+02 157.474 4.93109e+01 157.474 0.9003 
1 1 1 8  10 2  o 17 4.39522e+02 1.44792e+01 3.18154e+02 65.468  5.39957e+00  1.18310e+01  0.00000e+00 0.00000e+00 1.98083e+02 65.468  1.20071e+02 245.468 0.9607 
1 1 1 8  10 3  o 8  3.31373e+02 1.29907e+01 2.13241e+02 133.152 -4.45298e+00 4.74994e+00  0.00000e+00 0.00000e+00 1.59783e+02 133.152 5.34585e+01 313.152 0.9196 
1 1 1 8  10 4  f 0  2.24480e+02 1.49241e+01 2.59263e+02 213.030 -4.41134e+00 -2.86807e+00 0.00000e+00 0.00000e+00 1.17677e+01 33.030  2.71031e+02 33.030  0.8991 
1 1 1 8  10 5  o 7  3.50353e+02 1.32598e+01 2.17423e+02 248.611 -3.18256e+00 -8.12571e+00 0.00000e+00 0.00000e+00 1.87690e+02 248.611 2.97330e+01 68.611  0.9408 
1 1 1 8  10 6  o 12 4.30215e+02 1.44658e+01 2.62839e+02 23.983  1.15342e+01  5.13116e+00  0.00000e+00 0.00000e+00 2.45919e+02 23.983  1.69198e+01 203.983 0.9595 
1 1 1 8  10 7  o 5  2.06794e+02 1.23297e+01 1.64026e+02 204.981 -4.06144e+00 -1.89221e+00 0.00000e+00 0.00000e+00 6.09260e+01 204.981 1.03100e+02 24.981  0.8798 
1 1 1 8  10 8  o 11 8.74863e+02 1.98234e+01 4.23921e+02 169.734 -5.20255e+01 9.42315e+00  0.00000e+00 0.00000e+00 6.51612e+02 169.734 2.27691e+02 169.734 0.9905 
1 1 1 8  10 9  o 11 2.37222e+02 1.10839e+01 2.36134e+02 85.618  5.01951e-01  6.55023e+00  0.00000e+00 0.00000e+00 3.60211e+01 85.618  2.00113e+02 265.618 0.9204 
1 1 1 8  10 10 o 16 5.69303e+02 1.47195e+01 2.56655e+02 323.231 1.68565e+01  -1.25962e+01 0.00000e+00 0.00000e+00 4.39235e+02 323.231 1.82580e+02 323.231 0.9759 
1 1 1 8  10 11 o 13 2.38683e+02 1.31906e+01 1.44964e+02 229.686 -3.98179e+00 -4.69288e+00 0.00000e+00 0.00000e+00 1.29933e+02 229.686 1.50310e+01 49.686  0.9147 
1 1 1 8  10 12 o 17 2.80105e+02 1.37202e+01 1.28937e+02 121.937 -3.18292e+00 5.10630e+00  0.00000e+00 0.00000e+00 1.94809e+02 121.937 6.58717e+01 121.937 0.9126 
1 1 1 8  10 13 o 12 1.67906e+02 1.34016e+01 1.11516e+02 177.963 -3.35242e+00 1.19233e-01  0.00000e+00 0.00000e+00 6.67662e+01 177.963 4.47497e+01 357.963 0.8331 
1 1 1 8  10 14 o 15 3.25895e+02 1.29390e+01 1.31116e+02 302.644 4.37217e+00  -6.82502e+00 0.00000e+00 0.00000e+00 2.60349e+02 302.644 1.29232e+02 302.644 0.9361 
1 1 1 8  10 15 o 12 1.44638e+02 1.58604e+01 3.65473e+01 137.851 -8.42941e-01 7.62960e-01  0.00000e+00 0.00000e+00 5.55888e+01 137.851 1.90415e+01 137.851 0.4928 
1 1 1 8  10 16 o 12 1.56411e+02 1.70117e+01 2.59216e+01 28.778  6.89054e-01  3.78465e-01  0.00000e+00 0.00000e+00 4.85610e+01 28.778  2.26394e+01 28.778  0.3655 
1 1 1 8  10 17 o 13 9.65350e+01 2.25042e+01 3.40168e+01 138.105 -4.77982e-01 4.28789e-01  0.00000e+00 0.00000e+00 4.73373e+00 138.105 2.92831e+01 318.105 0.3056 
1 1 1 8  10 18 o 12 1.96595e+02 1.95423e+01 1.14234e+02 346.007 3.51325e+00  -8.75519e-01 0.00000e+00 0.00000e+00 1.06489e+02 346.007 7.74458e+00 166.007 0.8472 
1 1 1 8  10 19 o 7  3.67535e+02 1.90979e+01 1.17454e+02 303.512 4.23768e+00  -6.39954e+00 0.00000e+00 0.00000e+00 3.40950e+02 303.512 2.23496e+02 303.512 0.9324 
1 1 1 8  10 20 o 3  2.14961e+02 1.94066e+01 3.40951e+01 186.321 -1.34117e+00 -1.48560e-01 0.00000e+00 0.00000e+00 1.27548e+02 186.321 9.34532e+01 186.321 0.5566 
1 1 1 8  10 22 o 8  2.10144e+02 4.46748e+01 1.31328e+02 214.497 -5.25732e+00 -3.61289e+00 0.00000e+00 0.00000e+00 1.34823e+02 214.497 3.49509e+00 214.497 0.9179 
1 1 1 8  10 24 o 16 1.21808e+02 3.09182e+01 9.58697e+01 36.242  3.52993e+00  2.58746e+00  0.00000e+00 0.00000e+00 5.49220e+01 36.242  4.09476e+01 216.242 0.8766 
1 1 1 8  10 25 o 5  1.39949e+02 2.68309e+01 5.69111e+01 324.016 2.93838e+00  -2.13357e+00 0.00000e+00 0.00000e+00 1.12706e+02 324.016 5.57952e+01 324.016 0.8477 
1 1 1 8  10 26 o 7  9.10120e+01 3.15722e+01 3.81940e+01 243.198 -7.15622e-01 -1.41658e+00 0.00000e+00 0.00000e+00 4.31251e+01 243.198 4.93111e+00 243.198 0.6169 
1 1 1 8  10 27 o 7  7.54482e+01 2.78241e+01 3.32419e+01 212.844 -1.01190e+00 -6.53232e-01 0.00000e+00 0.00000e+00 2.36960e+01 212.844 9.54589e+00 32.844  0.5142 
1 1 1 8  10 28 o 13 5.62713e+01 2.47596e+01 1.32400e+01 343.020 4.84666e-01  -1.47993e-01 0.00000e+00 0.00000e+00 7.32654e+00 343.020 5.91345e+00 163.020 0.2456 
1 1 1 8  10 29 f 0  9.58168e+01 3.06210e+01 7.07208e+01 132.325 -3.17232e+00 3.48326e+00  0.00000e+00 0.00000e+00 5.74867e+01 132.325 1.32341e+01 312.325 0.8862 
1 1 1 8  10 30 o 3  5.76173e+01 2.60619e+01 3.33519e+01 165.125 -1.78983e+00 4.75409e-01  0.00000e+00 0.00000e+00 2.59731e+01 165.125 7.37877e+00 345.125 0.6719 
1 1 1 8  10 31 o 6  7.62119e+01 2.98451e+01 5.91212e+01 328.626 3.27416e+00  -1.99648e+00 0.00000e+00 0.00000e+00 4.25037e+01 328.626 1.66175e+01 148.626 0.8569 
1 1 1 8  10 32 o 15 4.03908e+01 2.00535e+01 4.21119e+01 358.752 2.47043e+00  -5.38265e-02 0.00000e+00 0.00000e+00 6.53953e+00 358.752 3.55724e+01 178.752 0.7618 
1 1 1 8  10 33 o 14 7.93914e+01 3.18127e+01 6.95381e+00 167.726 -4.73375e-01 1.02990e-01  0.00000e+00 0.00000e+00 2.30821e+01 167.726 1.61283e+01 167.726 0.2354 
1 1 1 8  10 34 o 13 6.40059e+01 3.03094e+01 3.56690e+01 256.021 -5.90444e-01 -2.37193e+00 0.00000e+00 0.00000e+00 4.37222e+01 256.021 8.05324e+00 256.021 0.7588 
1 1 1 8  10 35 o 14 7.16643e+01 3.32420e+01 7.15545e+00 162.469 -4.52397e-01 1.42910e-01  0.00000e+00 0.00000e+00 2.03544e+01 162.469 1.31989e+01 162.469 0.2308 
1 1 1 8  11 0  o 19 8.44917e+02 2.72190e+01 3.52610e+02 0.000   1.69458e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.90902e+02 0.000   3.38292e+02 0.000   1.0000 
1 1 1 8  11 1  o 1  1.49930e+02 1.20885e+01 1.05504e+02 224.227 -1.30725e+00 -1.27245e+00 0.00000e+00 0.00000e+00 1.79810e+01 224.227 8.75230e+01 44.227  0.6667 
1 1 1 8  11 2  o 11 5.53631e+02 1.64306e+01 1.89607e+02 134.722 -8.38993e+00 8.47188e+00  0.00000e+00 0.00000e+00 4.65481e+02 134.722 2.75874e+02 134.722 0.9571 
1 1 1 8  11 3  o 17 5.38710e+02 1.62210e+01 2.29103e+02 58.801  7.18856e+00  1.18701e+01  0.00000e+00 0.00000e+00 4.13246e+02 58.801  1.84143e+02 58.801  0.9633 
1 1 1 8  11 4  o 15 5.92494e+02 2.11846e+01 2.63780e+02 189.199 -2.03485e+01 -3.29525e+00 0.00000e+00 0.00000e+00 4.52889e+02 189.199 1.89109e+02 189.199 0.9754 
1 1 1 8  11 5  o 2  2.03711e+02 1.22287e+01 1.48654e+02 139.088 -3.03746e+00 2.63227e+00  0.00000e+00 0.00000e+00 7.01635e+01 139.088 7.84903e+01 319.088 0.8643 
1 1 1 8  11 6  f 0  1.39097e+02 1.28815e+01 1.78141e+02 115.287 -1.55895e+00 3.30000e+00  0.00000e+00 0.00000e+00 3.10372e+01 295.287 2.09178e+02 295.287 0.8486 
1 1 1 8  11 7  o 16 2.32241e+02 1.25845e+01 1.87967e+02 276.251 6.83325e-01  -6.23809e+00 0.00000e+00 0.00000e+00 7.81617e+01 276.251 1.09805e+02 96.251  0.9164 
1 1 1 8  11 8  o 18 1.57815e+02 1.36272e+01 1.02907e+02 291.793 6.98097e-01  -1.74600e+00 0.00000e+00 0.00000e+00 3.12171e+01 291.793 7.16903e+01 111.793 0.6771 
1 1 1 8  11 9  o 18 3.27382e+02 1.16549e+01 2.12709e+02 141.004 -7.81937e+00 6.33118e+00  0.00000e+00 0.00000e+00 1.78888e+02 141.004 3.38208e+01 321.004 0.9489 
1 1 1 8  11 10 o 13 5.28294e+01 1.73768e+01 4.54309e+01 62.408  1.94851e-01  3.72844e-01  0.00000e+00 0.00000e+00 3.16585e+01 242.408 7.70894e+01 242.408 0.2058 
1 1 1 8  11 11 o 4  3.21855e+02 1.20822e+01 9.27639e+01 119.560 -2.47252e+00 4.35951e+00  0.00000e+00 0.00000e+00 2.73476e+02 119.560 1.80712e+02 119.560 0.8937 
1 1 1 8  11 12 o 11 4.31454e+02 1.83143e+01 2.18617e+02 155.842 -1.52385e+01 6.83500e+00  0.00000e+00 0.00000e+00 3.17148e+02 155.842 9.85311e+01 155.842 0.9696 
1 1 1 8  11 13 o 9  2.76227e+02 1.25327e+01 1.23889e+02 184.777 -6.11670e+00 -5.11142e-01 0.00000e+00 0.00000e+00 2.01661e+02 184.777 7.77720e+01 184.777 0.9145 
1 1 1 8  11 14 f 0  1.84523e+02 1.37370e+01 2.09437e+02 350.158 8.35385e+00  -1.44933e+00 0.00000e+00 0.00000e+00 1.54068e+01 350.158 1.94030e+02 170.158 0.9390 
1 1 1 8  11 15 o 1  1.59696e+02 1.62991e+01 1.48061e+02 351.066 4.63678e+00  -7.28931e-01 0.00000e+00 0.00000e+00 3.68376e+01 351.066 1.11224e+02 171.066 0.8858 
1 1 1 8  11 16 o 5  7.39635e+01 2.23859e+01 1.41691e+02 197.503 -1.98375e+00 -6.25590e-01 0.00000e+00 0.00000e+00 7.24605e+01 17.503  2.14152e+02 17.503  0.7105 
1 1 1 8  11 17 o 10 7.96936e+01 2.36501e+01 4.69537e+01 98.903  -9.30824e-02 5.94234e-01  0.00000e+00 0.00000e+00 1.64735e+01 278.903 6.34271e+01 278.903 0.2879 
1 1 1 8  11 18 o 4  1.78314e+02 1.74088e+01 3.87813e+01 305.297 7.88509e-01  -1.11378e+00 0.00000e+00 0.00000e+00 9.52471e+01 305.297 5.64659e+01 305.297 0.5608 
1 1 1 8  11 19 o 8  1.33411e+02 3.19834e+01 1.03721e+02 217.337 -1.87571e+00 -1.43083e+00 0.00000e+00 0.00000e+00 3.14108e+01 217.337 7.23107e+01 37.337  0.7488 
1 1 1 8  11 20 o 19 2.31017e+02 5.15094e+01 1.98419e+02 195.710 -7.19609e+00 -2.02411e+00 0.00000e+00 0.00000e+00 9.52409e+01 195.710 1.03178e+02 15.710  0.9305 
1 1 1 8  11 21 o 15 1.92092e+02 2.02392e+01 9.49170e+01 88.769  1.06642e-01  4.96412e+00  0.00000e+00 0.00000e+00 1.41747e+02 88.769  4.68303e+01 88.769  0.8926 
1 1 1 8  11 22 o 5  1.44781e+02 2.66385e+01 9.97371e+01 280.009 7.63134e-01  -4.32403e+00 0.00000e+00 0.00000e+00 7.74442e+01 280.009 2.22929e+01 100.009 0.8770 
1 1 1 8  11 23 o 15 1.13282e+02 3.18337e+01 8.14753e+01 195.738 -3.12159e+00 -8.79648e-01 0.00000e+00 0.00000e+00 5.06562e+01 195.738 3.08191e+01 15.738  0.8265 
1 1 1 8  11 24 o 1  1.44924e+02 4.77470e+01 1.36536e+02 57.498  2.89129e+00  4.53800e+00  0.00000e+00 0.00000e+00 5.00523e+01 57.498  8.64836e+01 237.498 0.9015 
1 1 1 8  11 25 o 19 9.31123e+01 2.99420e+01 7.55006e+01 42.918  2.23740e+00  2.08044e+00  0.00000e+00 0.00000e+00 3.40855e+01 42.918  4.14151e+01 222.918 0.8140 
1 1 1 8  11 26 o 16 7.96400e+01 3.06246e+01 3.29858e+01 239.531 -6.36250e-01 -1.08146e+00 0.00000e+00 0.00000e+00 2.87648e+01 239.531 4.22094e+00 59.531  0.5294 
1 1 1 8  11 27 o 7  1.33051e+02 2.59337e+01 1.39922e+01 234.732 -6.38291e-01 -9.02550e-01 0.00000e+00 0.00000e+00 8.12972e+01 234.732 6.73050e+01 234.732 0.4825 
1 1 1 8  11 28 o 6  4.78445e+01 2.23568e+01 1.48803e+01 44.838  3.86315e-01  3.84135e-01  0.00000e+00 0.00000e+00 4.04087e+00 44.838  1.08394e+01 224.838 0.2628 
1 1 1 8  11 29 o 1  6.73156e+01 2.80037e+01 2.45367e+01 210.209 -1.11556e+00 -6.49497e-01 0.00000e+00 0.00000e+00 3.09666e+01 210.209 6.42990e+00 210.209 0.5400 
1 1 1 8  11 30 o 10 5.68599e+01 2.56162e+01 2.23085e+01 237.976 -6.39828e-01 -1.02300e+00 0.00000e+00 0.00000e+00 2.30560e+01 237.976 7.47518e-01 237.976 0.5148 
1 1 1 8  11 31 o 2  5.64472e+01 2.60049e+01 1.67839e+01 282.177 2.00552e-01  -9.29378e-01 0.00000e+00 0.00000e+00 2.12964e+01 282.177 4.51258e+00 282.177 0.4287 
1 1 1 8  11 32 o 9  4.77800e+01 2.37336e+01 1.24373e+01 79.472  1.44148e-01  7.75604e-01  0.00000e+00 0.00000e+00 1.55724e+01 79.472  3.13506e+00 79.472  0.3666 
1 1 1 8  11 33 o 5  5.42377e+01 2.55471e+01 2.66907e+01 31.636  1.61538e+00  9.95184e-01  0.00000e+00 0.00000e+00 3.32703e+01 31.636  6.57953e+00 31.636  0.6802 
1 1 1 8  11 34 o 9  7.94315e+01 3.54271e+01 7.94342e+00 199.259 -4.86490e-01 -1.69972e-01 0.00000e+00 0.00000e+00 2.48135e+01 199.259 1.68701e+01 199.259 0.2495 
1 1 1 8  11 35 o 12 5.57169e+01 2.63068e+01 1.96210e+01 192.576 -1.48541e+00 -3.31387e-01 0.00000e+00 0.00000e+00 3.67520e+01 192.576 1.71310e+01 192.576 0.6015 
1 1 1 8  12 0  o 12 2.52617e+02 1.52126e+01 7.19906e+01 180.000 -1.21323e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.92575e+02 180.000 1.20584e+02 180.000 0.8376 
1 1 1 8  12 1  o 6  1.76869e+02 1.20431e+01 1.46141e+02 165.053 -3.31720e+00 8.85571e-01  0.00000e+00 0.00000e+00 3.91180e+01 165.053 1.07023e+02 345.053 0.8375 
1 1 1 8  12 2  o 10 1.35331e+02 1.27064e+01 4.80695e+01 303.863 4.77957e-01  -7.12256e-01 0.00000e+00 0.00000e+00 1.86178e+01 303.863 2.94517e+01 123.863 0.3937 
1 1 1 8  12 3  o 14 8.19198e+01 1.56667e+01 3.69511e+01 323.444 3.57799e-01  -2.65300e-01 0.00000e+00 0.00000e+00 1.46372e+01 143.444 5.15883e+01 143.444 0.2174 
1 1 1 8  12 4  o 3  2.09750e+02 1.24222e+01 1.09152e+02 347.991 3.27826e+00  -6.97359e-01 0.00000e+00 0.00000e+00 1.10173e+02 347.991 1.02094e+00 347.991 0.8330 
1 1 1 8  12 5  o 13 5.76754e+02 2.10594e+01 2.88810e+02 77.310  5.13145e+00  2.27895e+01  0.00000e+00 0.00000e+00 4.21151e+02 77.310  1.32342e+02 77.310  0.9784 
1 1 1 8  12 6  o 15 3.89664e+02 1.41181e+01 1.57808e+02 197.988 -6.82049e+00 -2.21453e+00 0.00000e+00 0.00000e+00 2.98131e+02 197.988 1.40323e+02 197.988 0.9274 
1 1 1 8  12 7  o 16 1.61439e+02 1.31093e+01 5.36287e+01 117.775 -5.89779e-01 1.11981e+00  0.00000e+00 0.00000e+00 5.52185e+01 117.775 1.58976e+00 117.775 0.5326 
1 1 1 8  12 8  o 12 6.26382e+02 1.82153e+01 3.76518e+02 10.871  3.25231e+01  6.24567e+00  0.00000e+00 0.00000e+00 4.07270e+02 10.871  3.07516e+01 10.871  0.9848 
1 1 1 8  12 9  f 0  6.12911e+02 1.54608e+01 3.88770e+02 236.296 -2.31796e+01 -3.47516e+01 0.00000e+00 0.00000e+00 3.83938e+02 236.296 4.83190e+00 56.296  0.9880 
1 1 1 8  12 10 o 17 4.28530e+02 1.30856e+01 2.25548e+02 166.609 -1.56918e+01 3.73559e+00  0.00000e+00 0.00000e+00 3.06606e+02 166.609 8.10583e+01 166.609 0.9685 
1 1 1 8  12 11 o 11 5.98621e+02 1.79029e+01 2.94626e+02 30.142  2.70544e+01  1.57093e+01  0.00000e+00 0.00000e+00 4.64576e+02 30.142  1.69951e+02 30.142  0.9839 
1 1 1 8  12 12 o 8  2.07074e+02 1.43990e+01 8.24298e+01 11.182  2.99574e+00  5.92216e-01  0.00000e+00 0.00000e+00 1.36077e+02 11.182  5.36474e+01 11.182  0.8139 
1 1 1 8  12 13 o 14 4.57386e+02 1.38140e+01 2.46233e+02 189.916 -2.44771e+01 -4.27892e+00 0.00000e+00 0.00000e+00 3.38395e+02 189.916 9.21618e+01 189.916 0.9797 
1 1 1 8  12 14 o 6  2.42849e+02 1.31475e+01 1.01155e+02 267.820 -1.89359e-01 -4.97406e+00 0.00000e+00 0.00000e+00 1.83681e+02 267.820 8.25262e+01 267.820 0.8929 
1 1 1 8  12 15 o 6  1.31040e+02 1.76453e+01 6.95142e+01 139.664 -1.42782e+00 1.21243e+00  0.00000e+00 0.00000e+00 4.76716e+01 139.664 2.18427e+01 319.664 0.6758 
1 1 1 8  12 16 o 8  6.17471e+01 2.23317e+01 7.25881e+01 39.685  5.11932e-01  4.24789e-01  0.00000e+00 0.00000e+00 4.66089e+01 219.685 1.19197e+02 219.685 0.3155 
1 1 1 8  12 17 o 13 1.50878e+02 2.27002e+01 1.33969e+02 84.982  3.43868e-01  3.91655e+00  0.00000e+00 0.00000e+00 4.06979e+01 84.982  9.32708e+01 264.982 0.8608 
1 1 1 8  12 18 o 5  1.54914e+02 3.90057e+01 8.31693e+01 199.266 -1.98586e+00 -6.94132e-01 0.00000e+00 0.00000e+00 6.69145e+01 199.266 1.62548e+01 19.266  0.7141 
1 1 1 8  12 20 o 6  1.86167e+02 2.99508e+01 1.22397e+02 331.722 5.08054e+00  -2.73303e+00 0.00000e+00 0.00000e+00 1.11541e+02 331.722 1.08558e+01 151.722 0.9086 
1 1 1 8  12 21 o 8  1.50425e+02 4.89865e+01 1.26420e+02 65.690  1.61679e+00  3.57915e+00  0.00000e+00 0.00000e+00 5.44908e+01 65.690  7.19295e+01 245.690 0.8607 
1 1 1 8  12 22 o 13 1.28204e+02 5.44170e+01 1.36158e+02 145.383 -2.99259e+00 2.06575e+00  0.00000e+00 0.00000e+00 1.74002e+01 145.383 1.18758e+02 325.383 0.8479 
1 1 1 8  12 23 o 5  1.54778e+02 2.73844e+01 7.88442e+01 216.071 -3.92556e+00 -2.85953e+00 0.00000e+00 0.00000e+00 1.17952e+02 216.071 3.91082e+01 216.071 0.8899 
1 1 1 8  12 25 o 18 5.67582e+01 2.53587e+01 3.84350e+01 56.585  6.24662e-01  9.46808e-01  0.00000e+00 0.00000e+00 2.43596e+00 56.585  3.59990e+01 236.585 0.4920 
1 1 1 8  12 26 o 16 5.89350e+01 2.65220e+01 1.41323e+01 115.688 -1.78935e-01 3.71993e-01  0.00000e+00 0.00000e+00 3.52914e+00 115.688 1.06032e+01 295.688 0.2021 
1 1 1 8  12 27 o 9  7.24807e+01 2.78678e+01 6.21503e+01 271.862 8.82598e-02  -2.71547e+00 0.00000e+00 0.00000e+00 2.35260e+01 271.862 3.86243e+01 91.862  0.7867 
1 1 1 8  12 28 o 1  1.27501e+02 2.83171e+01 7.46403e+01 149.922 -5.83584e+00 3.37991e+00  0.00000e+00 0.00000e+00 1.04576e+02 149.922 2.99354e+01 149.922 0.9226 
1 1 1 8  12 29 o 17 5.75998e+01 2.55560e+01 1.36002e+01 127.543 -4.42892e-01 5.76300e-01  0.00000e+00 0.00000e+00 1.67903e+01 127.543 3.19003e+00 127.543 0.3414 
1 1 1 8  12 30 o 6  6.52245e+01 2.97384e+01 6.95448e+01 342.055 3.59493e+00  -1.16428e+00 0.00000e+00 0.00000e+00 1.78870e+01 342.055 5.16578e+01 162.055 0.8544 
1 1 1 8  12 31 o 11 5.83053e+01 2.63468e+01 7.10624e+00 60.568  2.06029e-01  3.65167e-01  0.00000e+00 0.00000e+00 1.19512e+01 60.568  4.84497e+00 60.568  0.2052 
1 1 1 8  12 32 o 5  6.43438e+01 2.85639e+01 6.02603e+01 213.323 -3.30032e+00 -2.16983e+00 0.00000e+00 0.00000e+00 2.94720e+01 213.323 3.07884e+01 33.323  0.8616 
1 1 1 8  12 33 o 17 6.32568e+01 2.83296e+01 1.41527e+01 9.150   9.79304e-01  1.57735e-01  0.00000e+00 0.00000e+00 3.20106e+01 9.150   1.78579e+01 9.150   0.4435 
1 1 1 8  12 34 o 16 6.23877e+01 3.00534e+01 3.48518e+01 55.971  1.30845e+00  1.93772e+00  0.00000e+00 0.00000e+00 4.30513e+01 55.971  8.19949e+00 55.971  0.7462 
1 1 1 8  13 0  o 4  7.13684e+02 2.40351e+01 3.79448e+02 180.000 -1.59873e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.24833e+02 180.000 1.45385e+02 180.000 1.0000 
1 1 1 8  13 1  o 4  5.04486e+02 1.56859e+01 3.23240e+02 32.734  1.62182e+01  1.04257e+01  0.00000e+00 0.00000e+00 2.99327e+02 32.734  2.39124e+01 212.734 0.9737 
1 1 1 8  13 2  o 6  5.16723e+02 1.59378e+01 2.92991e+02 25.032  1.61198e+01  7.52775e+00  0.00000e+00 0.00000e+00 3.43695e+02 25.032  5.07039e+01 25.032  0.9715 
1 1 1 8  13 3  o 7  3.80796e+02 1.38658e+01 3.11614e+02 196.289 -1.33242e+01 -3.89350e+00 0.00000e+00 0.00000e+00 1.54216e+02 196.289 1.57398e+02 16.289  0.9633 
1 1 1 8  13 4  o 7  3.50384e+02 1.35803e+01 1.19610e+02 64.428  2.09104e+00  4.36975e+00  0.00000e+00 0.00000e+00 2.76951e+02 64.428  1.57340e+02 64.428  0.8896 
1 1 1 8  13 5  o 14 3.72382e+02 1.72247e+01 1.79688e+02 292.550 3.69879e+00  -8.90774e+00 0.00000e+00 0.00000e+00 2.69795e+02 292.550 9.01069e+01 292.550 0.9466 
1 1 1 8  13 6  o 1  2.56800e+02 1.28831e+01 1.41259e+02 270.896 8.12252e-02  -5.19310e+00 0.00000e+00 0.00000e+00 1.53497e+02 270.896 1.22382e+01 270.896 0.8977 
1 1 1 8  13 7  o 18 1.65460e+02 1.33900e+01 6.83035e+01 186.120 -2.00514e+00 -2.14985e-01 0.00000e+00 0.00000e+00 8.03778e+01 186.120 1.20743e+01 186.120 0.7005 
1 1 1 8  13 8  o 3  3.48017e+02 1.40266e+01 2.15205e+02 176.852 -1.26592e+01 6.96216e-01  0.00000e+00 0.00000e+00 2.14874e+02 176.852 3.30815e-01 356.852 0.9597 
1 1 1 8  13 9  o 5  5.32779e+01 1.99963e+01 9.34260e+01 52.617  5.42925e-01  7.10554e-01  0.00000e+00 0.00000e+00 6.53384e+01 232.617 1.58764e+02 232.617 0.4077 
1 1 1 8  13 10 o 12 2.42054e+02 1.19117e+01 4.32405e+01 90.567  -1.91867e-02 1.93912e+00  0.00000e+00 0.00000e+00 1.73010e+02 90.567  1.29770e+02 90.567  0.6875 
1 1 1 8  13 11 o 9  6.20586e+02 1.83548e+01 2.48657e+02 178.692 -2.89398e+01 6.60938e-01  0.00000e+00 0.00000e+00 5.47899e+02 178.692 2.99241e+02 178.692 0.9826 
1 1 1 8  13 12 o 14 1.53988e+02 1.72980e+01 1.43764e+02 141.212 -3.75117e+00 3.01476e+00  0.00000e+00 0.00000e+00 3.60743e+01 141.212 1.07689e+02 321.212 0.8888 
1 1 1 8  13 13 o 12 4.74487e+02 1.41708e+01 2.66898e+02 349.251 2.52057e+01  -4.78511e+00 0.00000e+00 0.00000e+00 3.48131e+02 349.251 8.12333e+01 349.251 0.9803 
1 1 1 8  13 14 o 14 1.46929e+02 1.61696e+01 2.67025e+01 50.394  5.20878e-01  6.29505e-01  0.00000e+00 0.00000e+00 4.72039e+01 50.394  2.05013e+01 50.394  0.3778 
1 1 1 8  13 15 o 15 4.11560e+02 1.85167e+01 1.82175e+02 168.215 -1.11532e+01 2.32697e+00  0.00000e+00 0.00000e+00 3.44934e+02 168.215 1.62759e+02 168.215 0.9551 
1 1 1 8  13 16 o 1  1.52654e+02 4.14178e+01 9.62018e+01 42.452  1.83534e+00  1.67898e+00  0.00000e+00 0.00000e+00 6.13503e+01 42.452  3.48516e+01 222.452 0.7636 
1 1 1 8  13 17 o 13 2.55147e+02 1.64812e+01 7.37666e+01 352.645 3.38409e+00  -4.36784e-01 0.00000e+00 0.00000e+00 2.17066e+02 352.645 1.43299e+02 352.645 0.8364 
1 1 1 8  13 18 o 12 1.90250e+02 1.71903e+01 1.05576e+02 163.104 -3.61873e+00 1.09916e+00  0.00000e+00 0.00000e+00 1.17967e+02 163.104 1.23916e+01 163.104 0.8546 
1 1 1 8  13 19 o 16 8.57309e+01 2.65475e+01 6.49490e+01 221.399 -1.00266e+00 -8.83947e-01 0.00000e+00 0.00000e+00 8.57100e-01 221.399 6.40919e+01 41.399  0.5531 
1 1 1 8  13 20 o 1  1.50101e+02 3.40052e+01 8.22963e+01 240.309 -1.65364e+00 -2.90017e+00 0.00000e+00 0.00000e+00 9.27760e+01 240.309 1.04797e+01 240.309 0.8322 
1 1 1 8  13 21 o 3  1.89254e+02 2.45970e+01 7.06856e+01 185.205 -4.14290e+00 -3.77386e-01 0.00000e+00 0.00000e+00 1.62319e+02 185.205 9.16333e+01 185.205 0.8694 
1 1 1 8  13 22 o 11 1.15191e+02 5.20155e+01 1.45453e+02 39.363  3.19209e+00  2.61852e+00  0.00000e+00 0.00000e+00 2.27058e+00 219.363 1.47724e+02 219.363 0.8683 
1 1 1 8  13 23 o 10 1.69236e+02 4.71801e+01 1.28615e+02 70.686  1.94235e+00  5.54202e+00  0.00000e+00 0.00000e+00 9.44460e+01 70.686  3.41695e+01 250.686 0.9103 
1 1 1 8  13 24 o 11 1.53873e+02 2.60190e+01 8.07209e+01 189.731 -5.73140e+00 -9.82928e-01 0.00000e+00 0.00000e+00 1.24297e+02 189.731 4.35759e+01 189.731 0.9094 
1 1 1 8  13 25 o 9  1.57105e+02 2.87674e+01 1.09479e+02 246.062 -3.19848e+00 -7.20501e+00 0.00000e+00 0.00000e+00 1.08239e+02 246.062 1.24018e+00 66.062  0.9342 
1 1 1 8  13 26 o 11 1.03190e+02 2.73830e+01 1.27812e+01 235.727 -4.27838e-01 -6.27826e-01 0.00000e+00 0.00000e+00 4.22398e+01 235.727 2.94586e+01 235.727 0.3549 
1 1 1 8  13 27 o 7  6.10850e+01 2.75114e+01 2.95193e+01 118.421 -5.73556e-01 1.05984e+00  0.00000e+00 0.00000e+00 1.83254e+01 118.421 1.11939e+01 298.421 0.5144 
1 1 1 8  13 28 o 14 6.09605e+01 2.67420e+01 3.27764e+01 213.016 -1.36815e+00 -8.89037e-01 0.00000e+00 0.00000e+00 2.62432e+01 213.016 6.53320e+00 33.016  0.6270 
1 1 1 8  13 29 o 12 4.71668e+01 2.24403e+01 8.46370e+00 278.402 6.27103e-02  -4.24592e-01 0.00000e+00 0.00000e+00 7.03711e+00 278.402 1.42660e+00 98.402  0.2098 
1 1 1 8  13 30 o 9  5.80177e+01 2.61093e+01 1.43244e+01 312.808 5.64800e-01  -6.09751e-01 0.00000e+00 0.00000e+00 2.10390e+01 312.808 6.71467e+00 312.808 0.3834 
1 1 1 8  13 31 o 4  7.16481e+01 2.94487e+01 1.88134e+01 70.644  4.47309e-01  1.27334e+00  0.00000e+00 0.00000e+00 4.55844e+01 70.644  2.67710e+01 70.644  0.5567 
1 1 1 8  13 32 o 15 6.58674e+01 2.86384e+01 2.64050e+01 15.071  1.75780e+00  4.73326e-01  0.00000e+00 0.00000e+00 4.55508e+01 15.071  1.91459e+01 15.071  0.6660 
1 1 1 8  13 33 o 12 5.32704e+01 2.53500e+01 1.94955e+01 189.798 -1.42823e+00 -2.46640e-01 0.00000e+00 0.00000e+00 3.23238e+01 189.798 1.28283e+01 189.798 0.5834 
1 1 1 8  13 34 o 3  4.64686e+01 2.29006e+01 8.23535e+00 155.909 -6.02424e-01 2.69363e-01  0.00000e+00 0.00000e+00 1.64471e+01 155.909 8.21171e+00 155.909 0.3132 
1 1 1 8  14 0  o 3  4.61134e+02 1.84966e+01 4.00033e+02 0.000   1.33945e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.92724e+02 0.000   2.07309e+02 180.000 1.0000 
1 1 1 8  14 1  o 13 3.06002e+02 1.29592e+01 1.28124e+02 51.860  3.51132e+00  4.47170e+00  0.00000e+00 0.00000e+00 2.28800e+02 51.860  1.00677e+02 51.860  0.9072 
1 1 1 8  14 2  o 8  1.45027e+02 1.31507e+01 8.21903e+01 184.477 -1.71375e+00 -1.34175e-01 0.00000e+00 0.00000e+00 3.83220e+01 184.477 4.38683e+01 4.477   0.6458 
1 1 1 8  14 3  o 10 7.27606e+01 1.77396e+01 1.41371e+02 229.925 -1.18773e+00 -1.41172e+00 0.00000e+00 0.00000e+00 7.85091e+01 49.925  2.19880e+02 49.925  0.6706 
1 1 1 8  14 4  o 7  2.29570e+02 1.28775e+01 1.66719e+02 155.465 -6.28117e+00 2.86714e+00  0.00000e+00 0.00000e+00 1.07186e+02 155.465 5.95326e+01 335.465 0.9245 
1 1 1 8  14 5  o 11 1.92769e+02 1.32266e+01 3.83722e+01 157.144 -1.21062e+00 5.10302e-01  0.00000e+00 0.00000e+00 9.79318e+01 157.144 5.95595e+01 157.144 0.5466 
1 1 1 8  14 6  o 1  5.64361e+01 1.92075e+01 1.14329e+02 247.931 -4.03335e-01 -9.94843e-01 0.00000e+00 0.00000e+00 7.97884e+01 67.931  1.94118e+02 67.931  0.4718 
1 1 1 8  14 7  o 18 3.97349e+02 1.46272e+01 2.33360e+02 43.700  1.24026e+01  1.18524e+01  0.00000e+00 0.00000e+00 2.68450e+02 43.700  3.50907e+01 43.700  0.9704 
1 1 1 8  14 8  o 7  2.41191e+02 1.37881e+01 8.23623e+01 268.982 -6.40265e-02 -3.60454e+00 0.00000e+00 0.00000e+00 1.84324e+02 268.982 1.01962e+02 268.982 0.8464 
1 1 1 8  14 9  o 10 5.93141e+02 1.79144e+01 3.11821e+02 143.629 -2.67186e+01 1.96781e+01  0.00000e+00 0.00000e+00 4.54539e+02 143.629 1.42719e+02 143.629 0.9848 
1 1 1 8  14 10 o 15 5.43856e+02 1.72917e+01 3.04841e+02 3.946   3.09393e+01  2.13418e+00  0.00000e+00 0.00000e+00 4.00447e+02 3.946   9.56059e+01 3.946   0.9837 
1 1 1 8  14 11 f 0  1.71566e+02 2.13915e+01 1.10176e+02 271.098 7.66600e-02  -3.99999e+00 0.00000e+00 0.00000e+00 8.61689e+01 271.098 2.40076e+01 91.098  0.8636 
1 1 1 8  14 12 o 6  2.24127e+02 1.27592e+01 1.15168e+02 93.210  -2.91722e-01 5.20174e+00  0.00000e+00 0.00000e+00 1.53123e+02 93.210  3.79556e+01 93.210  0.8980 
1 1 1 8  14 13 o 14 1.55414e+02 1.48861e+01 9.50538e+01 14.378  3.00084e+00  7.69266e-01  0.00000e+00 0.00000e+00 7.52610e+01 14.378  1.97928e+01 194.378 0.8170 
1 1 1 8  14 14 o 12 3.85571e+02 1.79459e+01 1.23189e+02 179.819 -7.26080e+00 2.28879e-02  0.00000e+00 0.00000e+00 3.60230e+02 179.819 2.37041e+02 179.819 0.9283 
1 1 1 8  14 15 o 5  3.55194e+02 1.36903e+01 8.50331e+01 31.270  5.33200e+00  3.23806e+00  0.00000e+00 0.00000e+00 3.57564e+02 31.270  2.72531e+02 31.270  0.9159 
1 1 1 8  14 16 o 6  1.04023e+02 3.63620e+01 8.90294e+01 290.898 5.33477e-01  -1.39716e+00 0.00000e+00 0.00000e+00 4.15913e+00 110.898 9.31886e+01 110.898 0.5950 
1 1 1 8  14 17 o 16 2.27379e+02 2.13840e+01 1.02817e+02 210.188 -3.76163e+00 -2.18827e+00 0.00000e+00 0.00000e+00 1.72517e+02 210.188 6.97002e+01 210.188 0.8758 
1 1 1 8  14 18 o 12 1.25881e+02 2.20940e+01 7.36373e+01 333.179 2.08148e+00  -1.05240e+00 0.00000e+00 0.00000e+00 5.72580e+01 333.179 1.63793e+01 153.179 0.7455 
1 1 1 8  14 19 o 15 2.12587e+02 3.16186e+01 5.85351e+01 68.040  1.30853e+00  3.24532e+00  0.00000e+00 0.00000e+00 1.93203e+02 68.040  1.34668e+02 68.040  0.8411 
1 1 1 8  14 20 f 0  1.20260e+02 5.05920e+01 1.47220e+02 153.770 -3.47673e+00 1.71305e+00  0.00000e+00 0.00000e+00 4.10510e-01 333.770 1.47631e+02 333.770 0.8586 
1 1 1 8  14 21 o 15 1.20816e+02 4.58252e+01 1.30511e+02 150.875 -3.82786e+00 2.13272e+00  0.00000e+00 0.00000e+00 2.16668e+01 150.875 1.08844e+02 330.875 0.8768 
1 1 1 8  14 22 o 16 1.00081e+02 2.96845e+01 7.83365e+01 296.622 1.32827e+00  -2.64990e+00 0.00000e+00 0.00000e+00 3.90026e+01 296.622 3.93339e+01 116.622 0.8073 
1 1 1 8  14 23 o 4  7.23493e+01 3.56496e+01 1.29364e+02 336.176 3.30758e+00  -1.46048e+00 0.00000e+00 0.00000e+00 3.93594e+01 156.176 1.68723e+02 156.176 0.8469 
1 1 1 8  14 24 o 13 1.30987e+02 3.74093e+01 8.03802e+01 48.836  2.87458e+00  3.28772e+00  0.00000e+00 0.00000e+00 9.02314e+01 48.836  9.85123e+00 48.836  0.8763 
1 1 1 8  14 25 o 4  8.50336e+01 3.07731e+01 5.22556e+01 177.694 -2.02078e+00 8.13628e-02  0.00000e+00 0.00000e+00 3.75015e+01 177.694 1.47541e+01 357.694 0.7014 
1 1 1 8  14 26 o 11 5.82758e+01 2.50613e+01 2.62137e+01 188.059 -1.02850e+00 -1.45628e-01 0.00000e+00 0.00000e+00 1.46452e+01 188.059 1.15685e+01 8.059   0.4600 
1 1 1 8  14 27 f 0  1.20467e+02 2.83039e+01 9.77439e+01 120.052 -4.42709e+00 7.65183e+00  0.00000e+00 0.00000e+00 7.74952e+01 120.052 2.02488e+01 300.052 0.9416 
1 1 1 8  14 28 o 17 6.83765e+01 2.84030e+01 2.23022e+01 0.201   1.27247e+00  4.45376e-03  0.00000e+00 0.00000e+00 3.49637e+01 0.201   1.26614e+01 0.201   0.5347 
1 1 1 8  14 29 o 16 5.81820e+01 2.61753e+01 7.00820e+01 283.370 9.02353e-01  -3.79657e+00 0.00000e+00 0.00000e+00 9.40013e+00 283.370 6.06819e+01 103.370 0.8597 
1 1 1 8  14 30 o 2  6.57884e+01 2.80744e+01 5.60540e+01 166.078 -3.36007e+00 8.32919e-01  0.00000e+00 0.00000e+00 3.29828e+01 166.078 2.30712e+01 346.078 0.8391 
1 1 1 8  14 31 o 3  4.31268e+01 2.11768e+01 1.37370e+01 291.065 3.13138e-01  -8.12991e-01 0.00000e+00 0.00000e+00 1.44410e+01 291.065 7.04043e-01 291.065 0.3989 
1 1 1 8  14 32 o 12 5.51656e+01 2.57520e+01 4.24553e+01 7.107   2.93934e+00  3.66467e-01  0.00000e+00 0.00000e+00 3.16443e+01 7.107   1.08110e+01 187.107 0.8071 
1 1 1 8  14 33 f 0  5.20416e+01 2.49447e+01 1.54551e+01 100.513 -2.10239e-01 1.13293e+00  0.00000e+00 0.00000e+00 2.83653e+01 100.513 1.29102e+01 100.513 0.4977 
1 1 1 8  14 34 o 16 3.93854e+01 1.98537e+01 3.11844e+01 248.453 -9.52728e-01 -2.41281e+00 0.00000e+00 0.00000e+00 2.13217e+01 248.453 9.86275e+00 68.453  0.7749 
1 1 1 8  15 0  f 0  2.61526e+02 1.59536e+01 1.83620e+02 0.000   4.14667e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.57621e+02 0.000   2.60000e+01 180.000 0.9995 
1 1 1 8  15 1  o 5  4.25280e+02 1.26535e+01 2.90832e+02 187.833 -2.10502e+01 -2.89596e+00 0.00000e+00 0.00000e+00 2.51265e+02 187.833 3.95670e+01 7.833   0.9762 
1 1 1 8  15 2  o 13 3.21464e+02 1.34272e+01 2.19013e+02 173.672 -1.19385e+01 1.32385e+00  0.00000e+00 0.00000e+00 1.83184e+02 173.672 3.58293e+01 353.672 0.9574 
1 1 1 8  15 3  o 3  4.62188e+02 1.53008e+01 3.24007e+02 36.776  2.01873e+01  1.50887e+01  0.00000e+00 0.00000e+00 2.68612e+02 36.776  5.53949e+01 216.776 0.9800 
1 1 1 8  15 4  o 18 2.39107e+02 1.34226e+01 5.69828e+01 8.572   2.51815e+00  3.79592e-01  0.00000e+00 0.00000e+00 1.84332e+02 8.572   1.27349e+02 8.572   0.7700 
1 1 1 8  15 5  o 18 3.75259e+02 1.43592e+01 1.06712e+02 294.560 3.06001e+00  -6.69588e+00 0.00000e+00 0.00000e+00 3.51451e+02 294.560 2.44738e+02 294.560 0.9294 
1 1 1 8  15 6  o 6  2.26200e+02 1.37275e+01 1.17614e+02 276.485 5.60413e-01  -4.93028e+00 0.00000e+00 0.00000e+00 1.48339e+02 276.485 3.07241e+01 276.485 0.8925 
1 1 1 8  15 7  o 16 3.35111e+02 1.41969e+01 2.41947e+02 160.006 -1.39305e+01 5.06861e+00  0.00000e+00 0.00000e+00 1.85756e+02 160.006 5.61913e+01 340.006 0.9657 
1 1 1 8  15 8  o 16 6.83464e+02 1.95798e+01 3.22357e+02 36.756  3.30013e+01  2.46483e+01  0.00000e+00 0.00000e+00 5.73321e+02 36.756  2.50964e+02 36.756  0.9878 
1 1 1 8  15 9  f 0  5.60937e+02 1.75234e+01 2.95356e+02 267.130 -1.82033e+00 -3.63080e+01 0.00000e+00 0.00000e+00 4.41685e+02 267.130 1.46329e+02 267.130 0.9861 
1 1 1 8  15 10 o 12 2.01040e+02 1.96818e+01 1.54595e+02 170.545 -6.16728e+00 1.02704e+00  0.00000e+00 0.00000e+00 9.19780e+01 170.545 6.26173e+01 350.545 0.9161 
1 1 1 8  15 11 o 1  3.85362e+02 1.47007e+01 1.87448e+02 43.302  1.04730e+01  9.87006e+00  0.00000e+00 0.00000e+00 3.12856e+02 43.302  1.25408e+02 43.302  0.9646 
1 1 1 8  15 12 o 6  2.32881e+02 1.27185e+01 1.14238e+02 296.081 2.46616e+00  -5.03833e+00 0.00000e+00 0.00000e+00 1.71334e+02 296.081 5.70960e+01 296.081 0.9058 
1 1 1 8  15 13 o 15 4.45936e+02 1.40596e+01 2.52269e+02 196.367 -1.84909e+01 -5.43049e+00 0.00000e+00 0.00000e+00 3.39252e+02 196.367 8.69824e+01 196.367 0.9737 
1 1 1 8  15 15 o 19 2.81124e+02 1.53249e+01 1.93371e+02 343.360 9.60296e+00  -2.87000e+00 0.00000e+00 0.00000e+00 1.75132e+02 343.360 1.82391e+01 163.360 0.9487 
1 1 1 8  15 17 o 14 1.87731e+02 2.47351e+01 1.65513e+02 140.160 -5.91600e+00 4.93602e+00  0.00000e+00 0.00000e+00 8.03353e+01 140.160 8.51775e+01 320.160 0.9326 
1 1 1 8  15 18 o 7  1.52108e+02 3.13125e+01 3.62597e+01 85.623  1.05037e-01  1.37240e+00  0.00000e+00 0.00000e+00 8.52830e+01 85.623  4.90233e+01 85.623  0.5641 
1 1 1 8  15 19 o 5  7.27196e+01 3.56198e+01 1.43684e+02 289.516 8.63204e-01  -2.43549e+00 0.00000e+00 0.00000e+00 6.32209e+01 109.516 2.06905e+02 109.516 0.7738 
1 1 1 8  15 20 o 12 8.63438e+01 4.08060e+01 1.46045e+02 89.204  4.51814e-02  3.25249e+00  0.00000e+00 0.00000e+00 4.29248e+01 269.204 1.88970e+02 269.204 0.8271 
1 1 1 8  15 21 o 10 1.31838e+02 5.32070e+01 1.84621e+02 84.466  5.85186e-01  6.04036e+00  0.00000e+00 0.00000e+00 8.92134e+00 264.466 1.93542e+02 264.466 0.9134 
1 1 1 8  15 22 o 10 7.85502e+01 2.87874e+01 6.78918e+01 252.191 -7.27220e-01 -2.26386e+00 0.00000e+00 0.00000e+00 1.91187e+01 252.191 4.87731e+01 72.191  0.7510 
1 1 1 8  15 23 o 19 1.18236e+02 4.19373e+01 1.50328e+02 208.858 -5.69413e+00 -3.13788e+00 0.00000e+00 0.00000e+00 1.18552e+01 208.858 1.38473e+02 28.858  0.9195 
1 1 1 8  15 24 o 3  1.06022e+02 2.90318e+01 5.47385e+01 316.171 1.90614e+00  -1.82978e+00 0.00000e+00 0.00000e+00 7.00359e+01 316.171 1.52974e+01 316.171 0.7796 
1 1 1 8  15 25 o 14 9.26211e+01 3.41480e+01 5.47469e+01 354.838 2.60443e+00  -2.35273e-01 0.00000e+00 0.00000e+00 5.52340e+01 354.838 4.87128e-01 354.838 0.7770 
1 1 1 8  15 26 o 7  8.91493e+01 2.90835e+01 5.91907e+01 127.647 -2.24740e+00 2.91336e+00  0.00000e+00 0.00000e+00 5.81134e+01 127.647 1.07731e+00 307.647 0.8500 
1 1 1 8  15 27 o 9  4.41556e+01 2.13283e+01 2.38912e+00 35.103  8.43646e-02  5.93001e-02  0.00000e+00 0.00000e+00 1.17809e+00 35.103  1.21103e+00 215.103 0.0515 
1 1 1 8  15 28 o 16 6.54695e+01 2.74338e+01 1.21909e+01 56.120  3.94185e-01  5.87042e-01  0.00000e+00 0.00000e+00 2.25074e+01 56.120  1.03166e+01 56.120  0.3332 
1 1 1 8  15 29 f 0  5.53844e+01 2.52232e+01 1.31516e+01 41.924  5.60954e-01  5.03747e-01  0.00000e+00 0.00000e+00 1.83558e+01 41.924  5.20420e+00 41.924  0.3525 
1 1 1 8  15 30 o 7  5.90058e+01 2.66068e+01 1.08782e+01 257.284 -1.61510e-01 -7.15740e-01 0.00000e+00 0.00000e+00 2.23912e+01 257.284 1.15130e+01 257.284 0.3442 
1 1 1 8  15 31 o 11 5.38926e+01 2.51738e+01 9.23389e+00 103.405 -1.43122e-01 6.00512e-01  0.00000e+00 0.00000e+00 1.71978e+01 103.405 7.96390e+00 103.405 0.2948 
1 1 1 8  15 32 o 10 3.26884e+01 1.66901e+01 2.16228e+01 170.803 -1.68661e+00 2.73070e-01  0.00000e+00 0.00000e+00 1.39354e+01 170.803 7.68748e+00 350.803 0.6436 
1 1 1 8  15 33 o 2  5.12082e+01 2.46930e+01 1.28450e+01 182.473 -1.00010e+00 -4.31867e-02 0.00000e+00 0.00000e+00 2.64593e+01 182.473 1.36144e+01 182.473 0.4468 
1 1 1 8  16 0  o 8  1.92736e+02 1.69377e+01 5.93454e+01 180.000 -1.08085e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.43638e+02 180.000 8.42925e+01 180.000 0.7935 
1 1 1 8  16 1  o 13 4.80089e+02 1.35030e+01 2.23917e+02 132.069 -1.35274e+01 1.49871e+01  0.00000e+00 0.00000e+00 3.97436e+02 132.069 1.73520e+02 132.069 0.9749 
1 1 1 8  16 2  o 5  2.30416e+02 1.32256e+01 1.36986e+02 312.363 3.98093e+00  -4.36539e+00 0.00000e+00 0.00000e+00 1.41861e+02 312.363 4.87586e+00 312.363 0.9109 
1 1 1 8  16 3  o 1  4.07611e+02 1.46420e+01 1.55049e+02 280.987 2.22787e+00  -1.14749e+01 0.00000e+00 0.00000e+00 3.63430e+02 280.987 2.08382e+02 280.987 0.9562 
1 1 1 8  16 4  o 5  2.68065e+02 1.35556e+01 1.65517e+02 326.744 7.28505e+00  -4.77736e+00 0.00000e+00 0.00000e+00 1.70528e+02 326.744 5.01134e+00 326.744 0.9407 
1 1 1 8  16 5  o 13 5.40801e+02 1.68656e+01 2.48542e+02 155.361 -2.33894e+01 1.07278e+01  0.00000e+00 0.00000e+00 4.59581e+02 155.361 2.11040e+02 155.361 0.9804 
1 1 1 8  16 6  o 1  2.38541e+02 1.17733e+01 6.07136e+01 217.315 -2.64195e+00 -2.01369e+00 0.00000e+00 0.00000e+00 2.04849e+02 217.315 1.44136e+02 217.315 0.8312 
1 1 1 8  16 7  o 9  6.86601e+01 2.16025e+01 2.36662e+01 22.767  3.21883e-01  1.35091e-01  0.00000e+00 0.00000e+00 7.80349e+00 202.767 3.14697e+01 202.767 0.1719 
1 1 1 8  16 8  o 8  3.84166e+02 1.52451e+01 1.75180e+02 136.268 -1.00650e+01 9.62909e+00  0.00000e+00 0.00000e+00 3.24027e+02 136.268 1.48847e+02 136.268 0.9634 
1 1 1 8  16 9  o 4  7.16831e+02 2.04294e+01 3.32048e+02 336.910 4.29754e+01  -1.83217e+01 0.00000e+00 0.00000e+00 6.28526e+02 336.910 2.96478e+02 336.910 0.9892 
1 1 1 8  16 10 o 12 9.88301e+01 2.71432e+01 8.55978e+01 156.284 -1.53209e+00 6.73064e-01  0.00000e+00 0.00000e+00 2.06980e-02 336.284 8.56185e+01 336.284 0.6362 
1 1 1 8  16 11 o 5  5.41107e+02 1.77038e+01 2.90949e+02 144.596 -2.00314e+01 1.42379e+01  0.00000e+00 0.00000e+00 4.34246e+02 144.596 1.43297e+02 144.596 0.9794 
1 1 1 8  16 12 o 8  1.15533e+02 1.71000e+01 1.92036e+01 20.066  3.51549e-01  1.28411e-01  0.00000e+00 0.00000e+00 1.00430e+01 20.066  9.16059e+00 200.066 0.1839 
1 1 1 8  16 13 o 1  3.50696e+02 1.76722e+01 6.01110e+01 69.418  1.50432e+00  4.00599e+00  0.00000e+00 0.00000e+00 3.64140e+02 69.418  3.04029e+02 69.418  0.8735 
1 1 1 8  16 14 o 6  2.67471e+02 1.69906e+01 8.30677e+01 289.647 1.44715e+00  -4.05343e+00 0.00000e+00 0.00000e+00 2.43018e+02 289.647 1.59950e+02 289.647 0.8743 
1 1 1 8  16 15 f 0  1.44577e+02 1.63873e+01 1.00065e+02 334.078 2.50443e+00  -1.21726e+00 0.00000e+00 0.00000e+00 6.09236e+01 334.078 3.91413e+01 154.078 0.7927 
1 1 1 8  16 16 o 6  8.47943e+01 2.35904e+01 4.51957e+01 43.462  6.99125e-01  6.62560e-01  0.00000e+00 0.00000e+00 6.80793e+00 43.462  3.83878e+01 223.462 0.4332 
1 1 1 8  16 17 o 5  1.11993e+02 2.27315e+01 6.01120e+01 65.631  8.75353e-01  1.93247e+00  0.00000e+00 0.00000e+00 5.44792e+01 65.631  5.63278e+00 245.631 0.7167 
1 1 1 8  16 18 o 3  9.65484e+01 4.15229e+01 7.52505e+01 183.883 -1.66577e+00 -1.13067e-01 0.00000e+00 0.00000e+00 1.30949e+01 183.883 6.21556e+01 3.883   0.6353 
1 1 1 8  16 19 o 15 7.58502e+01 2.69476e+01 1.20709e+02 196.187 -2.76864e+00 -8.03696e-01 0.00000e+00 0.00000e+00 3.23938e+01 16.187  1.53103e+02 16.187  0.8009 
1 1 1 8  16 20 o 9  1.15158e+02 4.26396e+01 6.84703e+01 249.210 -8.58861e-01 -2.26215e+00 0.00000e+00 0.00000e+00 5.93355e+01 249.210 9.13473e+00 69.210  0.7560 
1 1 1 8  16 21 o 8  1.39164e+02 4.37800e+01 1.19337e+02 343.112 4.55453e+00  -1.38276e+00 0.00000e+00 0.00000e+00 6.38659e+01 343.112 5.54712e+01 163.112 0.8875 
1 1 1 8  16 22 o 4  1.55266e+02 3.96936e+01 1.21282e+02 41.503  5.45583e+00  4.82740e+00  0.00000e+00 0.00000e+00 9.49132e+01 41.503  2.63690e+01 221.503 0.9286 
1 1 1 8  16 23 o 8  9.18935e+01 2.90178e+01 9.61745e+01 107.530 -1.22252e+00 3.87027e+00  0.00000e+00 0.00000e+00 2.44823e+01 107.530 7.16922e+01 287.530 0.8657 
1 1 1 8  16 24 o 6  9.38709e+01 3.14379e+01 6.82642e+01 188.031 -3.32787e+00 -4.69525e-01 0.00000e+00 0.00000e+00 5.18118e+01 188.031 1.64525e+01 8.031   0.8335 
1 1 1 8  16 25 o 10 9.08081e+01 3.06567e+01 3.28160e+01 213.883 -1.51834e+00 -1.01962e+00 0.00000e+00 0.00000e+00 6.13775e+01 213.883 2.85615e+01 213.883 0.6676 
1 1 1 8  16 26 o 17 6.15539e+01 2.60405e+01 3.17574e+01 12.333  1.53807e+00  3.36277e-01  0.00000e+00 0.00000e+00 2.77262e+01 12.333  4.03113e+00 192.333 0.6140 
1 1 1 8  16 27 o 8  7.26923e+01 2.88521e+01 2.43081e+01 305.146 8.74097e-01  -1.24161e+00 0.00000e+00 0.00000e+00 4.53377e+01 305.146 2.10296e+01 305.146 0.6007 
1 1 1 8  16 28 o 18 4.14511e+01 2.03540e+01 3.60199e+01 240.484 -9.20100e-01 -1.62520e+00 0.00000e+00 0.00000e+00 9.21840e+00 240.484 2.68015e+01 60.484  0.6748 
1 1 1 8  16 29 o 15 6.94251e+01 2.87892e+01 4.13921e+01 116.527 -1.23857e+00 2.48125e+00  0.00000e+00 0.00000e+00 4.87922e+01 116.527 7.40003e+00 116.527 0.7917 
1 1 1 8  16 30 o 4  6.68393e+01 2.88061e+01 5.01751e+01 22.237  3.09129e+00  1.26385e+00  0.00000e+00 0.00000e+00 4.24662e+01 22.237  7.70895e+00 202.237 0.8323 
1 1 1 8  16 31 o 6  6.22060e+01 2.76904e+01 1.60187e+01 329.117 9.67176e-01  -5.78451e-01 0.00000e+00 0.00000e+00 3.54847e+01 329.117 1.94660e+01 329.117 0.4896 
1 1 1 8  16 32 o 16 5.86681e+01 2.68961e+01 2.10917e+01 158.975 -1.46038e+00 5.61327e-01  0.00000e+00 0.00000e+00 4.05709e+01 158.975 1.94792e+01 158.975 0.6117 
1 1 1 8  17 0  o 16 5.50446e+01 2.75856e+01 7.97368e+01 0.000   4.87525e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.61107e+01 180.000 1.25848e+02 180.000 0.4522 
1 1 1 8  17 1  o 6  1.02056e+02 1.51001e+01 1.47900e+01 262.523 -4.45949e-02 -3.39810e-01 0.00000e+00 0.00000e+00 8.49869e+00 262.523 6.29129e+00 82.523  0.1689 
1 1 1 8  17 2  o 18 1.88641e+02 1.39363e+01 7.13225e+01 24.477  2.78397e+00  1.26736e+00  0.00000e+00 0.00000e+00 1.36366e+02 24.477  6.50434e+01 24.477  0.8142 
1 1 1 8  17 3  o 6  2.63668e+02 1.36176e+01 1.55211e+02 27.387  8.21922e+00  4.25811e+00  0.00000e+00 0.00000e+00 1.81884e+02 27.387  2.66734e+01 27.387  0.9443 
1 1 1 8  17 4  o 12 6.56624e+02 1.88963e+01 3.55563e+02 184.695 -5.08377e+01 -4.17485e+00 0.00000e+00 0.00000e+00 5.26202e+02 184.695 1.70639e+02 184.695 0.9901 
1 1 1 8  17 5  o 3  5.39918e+02 1.69042e+01 2.74447e+02 225.894 -2.13707e+01 -2.20480e+01 0.00000e+00 0.00000e+00 4.47421e+02 225.894 1.72974e+02 225.894 0.9836 
1 1 1 8  17 6  o 18 6.98942e+02 1.98996e+01 4.03334e+02 33.173  4.71678e+01  3.08343e+01  0.00000e+00 0.00000e+00 5.40899e+02 33.173  1.37565e+02 33.173  0.9911 
1 1 1 8  17 7  o 18 9.19442e+01 2.22359e+01 5.17813e+01 352.131 9.16272e-01  -1.26636e-01 0.00000e+00 0.00000e+00 9.26152e-01 352.131 5.08551e+01 172.131 0.4192 
1 1 1 8  17 8  o 5  5.22165e+02 1.72018e+01 1.70404e+02 255.503 -4.70751e+00 -1.82071e+01 0.00000e+00 0.00000e+00 5.27074e+02 255.503 3.56671e+02 255.503 0.9730 
1 1 1 8  17 9  o 12 6.64114e+02 2.43393e+01 2.92726e+02 87.386  1.35637e+00  2.97091e+01  0.00000e+00 0.00000e+00 6.07328e+02 87.386  3.14603e+02 87.386  0.9830 
1 1 1 8  17 10 o 13 2.43456e+02 3.80289e+01 1.29021e+02 145.663 -3.90274e+00 2.66599e+00  0.00000e+00 0.00000e+00 1.69997e+02 145.663 4.09759e+01 145.663 0.8866 
1 1 1 8  17 11 o 10 2.14615e+02 1.69036e+01 1.38232e+02 225.475 -4.31309e+00 -4.38523e+00 0.00000e+00 0.00000e+00 1.35135e+02 225.475 3.09698e+00 45.475  0.9146 
1 1 1 8  17 12 o 13 3.68498e+02 1.60454e+01 1.52386e+02 28.324  9.28585e+00  5.00504e+00  0.00000e+00 0.00000e+00 3.38669e+02 28.324  1.86283e+02 28.324  0.9514 
1 1 1 8  17 13 o 13 1.45677e+02 3.56023e+01 1.30847e+02 334.227 2.92538e+00  -1.41249e+00 0.00000e+00 0.00000e+00 3.89322e+01 334.227 9.19148e+01 154.227 0.8268 
1 1 1 8  17 14 o 16 2.67834e+02 2.92907e+01 1.85440e+02 315.086 7.45698e+00  -7.43456e+00 0.00000e+00 0.00000e+00 1.76149e+02 315.086 9.29023e+00 135.086 0.9513 
1 1 1 8  17 15 o 14 1.61893e+02 3.25640e+01 1.28120e+02 148.933 -4.09740e+00 2.46846e+00  0.00000e+00 0.00000e+00 7.74306e+01 148.933 5.06892e+01 328.933 0.8881 
1 1 1 8  17 16 o 5  1.99805e+02 1.81143e+01 1.50194e+02 135.760 -7.09543e+00 6.90960e+00  0.00000e+00 0.00000e+00 1.22749e+02 135.760 2.74447e+01 315.760 0.9481 
1 1 1 8  17 17 o 15 1.01917e+02 3.89633e+01 1.21574e+02 295.497 1.27135e+00  -2.66581e+00 0.00000e+00 0.00000e+00 2.15458e+00 115.497 1.23729e+02 115.497 0.8065 
1 1 1 8  17 18 o 5  1.12174e+02 3.49963e+01 1.09224e+02 317.127 2.54621e+00  -2.36381e+00 0.00000e+00 0.00000e+00 2.88486e+01 317.127 8.03754e+01 137.127 0.8398 
1 1 1 8  17 19 o 17 7.91430e+01 3.78268e+01 2.11508e+02 125.647 -3.28923e+00 4.58640e+00  0.00000e+00 0.00000e+00 1.05369e+02 305.647 3.16877e+02 305.647 0.9064 
1 1 1 8  17 20 o 16 1.28123e+02 2.41147e+01 5.64646e+01 120.518 -1.48041e+00 2.51142e+00  0.00000e+00 0.00000e+00 9.73562e+01 120.518 4.08916e+01 120.518 0.8035 
1 1 1 8  17 21 o 15 6.91775e+01 3.06288e+01 9.82071e+01 352.511 2.92325e+00  -3.84256e-01 0.00000e+00 0.00000e+00 1.40225e+01 172.511 1.12230e+02 172.511 0.8061 
1 1 1 8  17 22 o 3  6.94723e+01 3.03323e+01 1.15423e+01 206.705 -3.48772e-01 -1.75453e-01 0.00000e+00 0.00000e+00 8.76980e+00 206.705 2.77251e+00 26.705  0.1916 
1 1 1 8  17 23 o 4  1.30114e+02 3.08584e+01 7.01892e+01 277.657 6.51140e-01  -4.84355e+00 0.00000e+00 0.00000e+00 1.08696e+02 277.657 3.85064e+01 277.657 0.8907 
1 1 1 8  17 24 o 17 5.83201e+01 2.60673e+01 2.43241e+01 72.028  2.91050e-01  8.97262e-01  0.00000e+00 0.00000e+00 1.44753e+01 72.028  9.84877e+00 252.028 0.4259 
1 1 1 8  17 25 o 1  1.11092e+02 3.00215e+01 7.03392e+01 122.513 -2.97689e+00 4.67041e+00  0.00000e+00 0.00000e+00 8.85669e+01 122.513 1.82277e+01 122.513 0.9045 
1 1 1 8  17 26 o 3  7.73342e+01 2.90914e+01 4.35190e+01 337.892 2.53184e+00  -1.02847e+00 0.00000e+00 0.00000e+00 5.41093e+01 337.892 1.05903e+01 337.892 0.7881 
1 1 1 8  17 27 o 8  6.76024e+01 2.82472e+01 2.17839e+01 233.346 -7.73840e-01 -1.03993e+00 0.00000e+00 0.00000e+00 3.76525e+01 233.346 1.58686e+01 233.346 0.5416 
1 1 1 8  17 28 o 12 7.17939e+01 2.89285e+01 2.11070e+01 107.180 -4.04144e-01 1.30723e+00  0.00000e+00 0.00000e+00 4.52899e+01 107.180 2.41829e+01 107.180 0.5618 
1 1 1 8  17 29 o 8  6.10236e+01 2.69633e+01 2.65638e+01 269.178 -2.55240e-02 -1.77819e+00 0.00000e+00 0.00000e+00 4.04688e+01 269.178 1.39050e+01 269.178 0.6578 
1 1 1 8  17 30 o 15 4.84187e+01 2.32876e+01 7.58590e+00 238.981 -2.77049e-01 -4.60736e-01 0.00000e+00 0.00000e+00 1.37138e+01 238.981 6.12786e+00 238.981 0.2595 
1 1 1 8  17 31 o 12 6.43743e+01 2.84040e+01 8.29480e+00 300.981 3.14562e-01  -5.23910e-01 0.00000e+00 0.00000e+00 2.40720e+01 300.981 1.57772e+01 300.981 0.2921 
1 1 1 8  17 32 o 17 4.86828e+01 2.35306e+01 5.09646e+00 183.771 -4.02117e-01 -2.65019e-02 0.00000e+00 0.00000e+00 1.17186e+01 183.771 6.62216e+00 183.771 0.1975 
1 1 1 8  18 0  o 2  2.38619e+02 1.70337e+01 2.18066e+02 0.000   5.40030e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.10312e+02 0.000   1.07754e+02 180.000 1.0000 
1 1 1 8  18 1  o 17 2.67268e+02 1.18744e+01 1.11568e+02 283.559 1.45018e+00  -6.01298e+00 0.00000e+00 0.00000e+00 2.25126e+02 283.559 1.13558e+02 283.559 0.9151 
1 1 1 8  18 2  o 17 4.78501e+02 1.59149e+01 1.86645e+02 253.257 -5.23399e+00 -1.73980e+01 0.00000e+00 0.00000e+00 4.54135e+02 253.257 2.67491e+02 253.257 0.9721 
1 1 1 8  18 3  o 17 4.48682e+02 1.54249e+01 2.08259e+02 120.854 -9.71194e+00 1.62572e+01  0.00000e+00 0.00000e+00 3.94060e+02 120.854 1.85802e+02 120.854 0.9732 
1 1 1 8  18 4  o 8  1.49466e+02 1.60401e+01 8.31298e+01 212.076 -2.27538e+00 -1.42601e+00 0.00000e+00 0.00000e+00 7.87346e+01 212.076 4.39516e+00 32.076  0.7837 
1 1 1 8  18 5  o 10 1.30694e+02 1.67011e+01 9.12260e+01 38.232  1.99681e+00  1.57313e+00  0.00000e+00 0.00000e+00 4.80528e+01 38.232  4.31733e+01 218.232 0.7695 
1 1 1 8  18 6  o 11 3.33154e+02 1.47356e+01 1.03731e+02 72.108  1.71383e+00  5.30876e+00  0.00000e+00 0.00000e+00 3.15113e+02 72.108  2.11382e+02 72.108  0.9053 
1 1 1 8  18 7  f 0  1.65911e+02 1.65709e+01 9.94315e+01 252.160 -7.99028e-01 -2.48267e+00 0.00000e+00 0.00000e+00 8.00158e+01 252.160 1.94157e+01 72.160  0.7763 
1 1 1 8  18 8  o 2  8.97183e+01 2.27071e+01 1.10351e+02 344.035 1.59082e+00  -4.55098e-01 0.00000e+00 0.00000e+00 3.10340e+01 164.035 1.41384e+02 164.035 0.6321 
1 1 1 8  18 9  o 2  2.78540e+02 1.91030e+01 1.80657e+02 143.917 -8.39708e+00 6.11949e+00  0.00000e+00 0.00000e+00 1.91254e+02 143.917 1.05972e+01 143.917 0.9506 
1 1 1 8  18 10 o 12 1.68901e+02 1.78404e+01 1.72271e+02 237.316 -2.96177e+00 -4.61624e+00 0.00000e+00 0.00000e+00 4.31134e+01 237.316 1.29157e+02 57.316  0.9035 
1 1 1 8  18 11 o 4  5.41713e+02 1.80422e+01 2.32280e+02 322.607 1.95001e+01  -1.49050e+01 0.00000e+00 0.00000e+00 5.20510e+02 322.607 2.88230e+02 322.607 0.9794 
1 1 1 8  18 12 o 5  3.83300e+02 2.11393e+01 2.17930e+02 81.261  2.42585e+00  1.57818e+01  0.00000e+00 0.00000e+00 3.11666e+02 81.261  9.37360e+01 81.261  0.9682 
1 1 1 8  18 13 o 12 1.95866e+02 1.58211e+01 5.52152e+01 77.667  5.36904e-01  2.45574e+00  0.00000e+00 0.00000e+00 1.60390e+02 77.667  1.05174e+02 77.667  0.7665 
1 1 1 8  18 14 o 12 6.20546e+01 2.19443e+01 2.40861e+01 289.436 1.40315e-01  -3.97655e-01 0.00000e+00 0.00000e+00 5.57614e+00 109.436 2.96623e+01 109.436 0.2063 
1 1 1 8  18 15 o 7  8.05380e+01 3.30493e+01 9.58559e+01 191.471 -2.10945e+00 -4.28078e-01 0.00000e+00 0.00000e+00 1.12429e+01 11.471  1.07099e+02 11.471  0.7213 
1 1 1 8  18 16 o 3  2.17416e+02 1.75683e+01 7.47587e+01 181.889 -5.60582e+00 -1.84844e-01 0.00000e+00 0.00000e+00 2.14348e+02 181.889 1.39589e+02 181.889 0.9058 
1 1 1 8  18 17 o 5  5.49254e+01 2.23876e+01 2.78661e+01 210.360 -5.52492e-01 -3.23622e-01 0.00000e+00 0.00000e+00 3.08558e+00 30.360  3.09516e+01 30.360  0.3048 
1 1 1 8  18 18 o 1  1.63050e+02 1.86556e+01 4.20402e+01 290.349 1.10588e+00  -2.98167e+00 0.00000e+00 0.00000e+00 1.58228e+02 290.349 1.16187e+02 290.349 0.8225 
1 1 1 8  18 19 o 4  1.25475e+02 2.33306e+01 7.99919e+01 57.356  2.21730e+00  3.46122e+00  0.00000e+00 0.00000e+00 8.41130e+01 57.356  4.12107e+00 57.356  0.8676 
1 1 1 8  18 20 o 6  1.03806e+02 3.90361e+01 1.14049e+02 22.842  3.97934e+00  1.67620e+00  0.00000e+00 0.00000e+00 2.41766e+01 22.842  8.98720e+01 202.842 0.8747 
1 1 1 8  18 21 o 18 9.78161e+01 2.70908e+01 8.05163e+01 141.971 -3.26037e+00 2.54990e+00  0.00000e+00 0.00000e+00 5.01752e+01 141.971 3.03411e+01 321.971 0.8687 
1 1 1 8  18 22 o 13 7.62079e+01 3.03609e+01 5.74669e+01 215.507 -1.93957e+00 -1.38382e+00 0.00000e+00 0.00000e+00 3.15931e+01 215.507 2.58738e+01 35.507  0.7516 
1 1 1 8  18 23 f 0  9.51071e+01 3.03909e+01 8.01663e+01 318.548 3.38529e+00  -2.99001e+00 0.00000e+00 0.00000e+00 5.15751e+01 318.548 2.85913e+01 138.548 0.8808 
1 1 1 8  18 24 o 2  5.96871e+01 2.52168e+01 1.05645e+01 288.695 1.58919e-01  -4.69636e-01 0.00000e+00 0.00000e+00 1.22867e+01 288.695 1.72221e+00 288.695 0.2406 
1 1 1 8  18 25 o 12 7.10052e+01 2.76040e+01 1.16121e+01 60.457  3.50360e-01  6.18168e-01  0.00000e+00 0.00000e+00 2.66651e+01 60.457  1.50529e+01 60.457  0.3346 
1 1 1 8  18 26 o 9  5.18339e+01 2.44349e+01 4.04059e+01 106.967 -6.07588e-01 1.99138e+00  0.00000e+00 0.00000e+00 1.97223e+01 106.967 2.06836e+01 286.967 0.7108 
1 1 1 8  18 27 o 12 8.20188e+01 2.99530e+01 2.11345e+00 138.049 -1.08858e-01 9.78486e-02  0.00000e+00 0.00000e+00 7.78811e+00 138.049 5.67466e+00 138.049 0.0730 
1 1 1 8  18 28 o 18 4.24980e+01 2.07360e+01 1.62280e+01 13.185  1.03566e+00  2.42621e-01  0.00000e+00 0.00000e+00 1.71633e+01 13.185  9.35309e-01 13.185  0.4685 
1 1 1 8  18 29 o 13 6.36490e+01 2.77556e+01 1.50308e+01 232.836 -6.23293e-01 -8.22217e-01 0.00000e+00 0.00000e+00 3.45147e+01 232.836 1.94839e+01 232.836 0.4575 
1 1 1 8  18 30 o 13 6.38075e+01 2.81177e+01 4.15496e+01 203.524 -2.83909e+00 -1.23588e+00 0.00000e+00 0.00000e+00 4.84577e+01 203.524 6.90807e+00 203.524 0.8169 
1 1 1 8  18 31 o 7  4.54031e+01 2.22951e+01 3.06350e+00 53.546  1.40345e-01  1.89984e-01  0.00000e+00 0.00000e+00 6.27463e+00 53.546  3.21113e+00 53.546  0.1173 
1 1 1 8  19 0  o 18 2.28159e+01 1.61860e+01 1.74428e+02 180.000 -3.24743e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.64379e+02 0.000   3.38807e+02 0.000   0.3138 
1 1 1 8  19 1  o 13 2.00720e+02 1.22456e+01 3.74983e+01 107.323 -3.64549e-01 1.16877e+00  0.00000e+00 0.00000e+00 1.09112e+02 107.323 7.16133e+01 107.323 0.5202 
1 1 1 8  19 2  o 14 7.89859e+01 2.18407e+01 3.97113e+01 19.505  4.62114e-01  1.63685e-01  0.00000e+00 0.00000e+00 1.32935e+01 199.505 5.30048e+01 199.505 0.2380 
1 1 1 8  19 3  o 14 3.39745e+02 1.45229e+01 2.19291e+02 193.028 -1.16223e+01 -2.68913e+00 0.00000e+00 0.00000e+00 2.38176e+02 193.028 1.88846e+01 193.028 0.9571 
1 1 1 8  19 4  o 1  2.24246e+02 1.43532e+01 1.56704e+02 37.717  4.88945e+00  3.78134e+00  0.00000e+00 0.00000e+00 1.32492e+02 37.717  2.42121e+01 217.717 0.9151 
1 1 1 8  19 5  o 6  4.99119e+02 1.64553e+01 2.27868e+02 349.339 1.93180e+01  -3.63653e+00 0.00000e+00 0.00000e+00 4.58971e+02 349.339 2.31103e+02 349.339 0.9742 
1 1 1 8  19 6  o 19 5.28837e+02 1.71150e+01 2.16321e+02 196.562 -2.31247e+01 -6.87714e+00 0.00000e+00 0.00000e+00 5.17050e+02 196.562 3.00728e+02 196.562 0.9791 
1 1 1 8  19 7  o 12 1.81370e+02 1.33504e+01 4.57621e+01 191.979 -1.71912e+00 -3.64747e-01 0.00000e+00 0.00000e+00 1.22706e+02 191.979 7.69437e+01 191.979 0.6536 
1 1 1 8  19 8  o 7  4.55399e+02 1.64447e+01 1.90595e+02 20.625  1.54386e+01  5.81072e+00  0.00000e+00 0.00000e+00 4.39010e+02 20.625  2.48415e+02 20.625  0.9692 
1 1 1 8  19 9  o 1  3.70771e+02 1.97990e+01 1.52893e+02 172.369 -1.09202e+01 1.46316e+00  0.00000e+00 0.00000e+00 3.53564e+02 172.369 2.00672e+02 172.369 0.9535 
1 1 1 8  19 10 o 7  1.96082e+02 1.70651e+01 1.54701e+01 272.378 2.48156e-02  -5.97544e-01 0.00000e+00 0.00000e+00 6.53711e+01 272.378 4.99010e+01 272.378 0.2864 
1 1 1 8  19 11 o 8  5.36540e+02 1.81414e+01 1.92876e+02 23.882  2.19847e+01  9.73394e+00  0.00000e+00 0.00000e+00 5.67242e+02 23.882  3.74366e+02 23.882  0.9790 
1 1 1 8  19 13 o 16 6.04183e+01 2.55770e+01 5.66601e+01 23.628  9.75459e-01  4.26733e-01  0.00000e+00 0.00000e+00 1.51678e+01 203.628 7.18278e+01 203.628 0.4689 
1 1 1 8  19 14 o 15 3.31621e+02 2.28080e+01 2.19639e+02 95.560  -2.07652e+00 2.13305e+01  0.00000e+00 0.00000e+00 2.57871e+02 95.560  3.82322e+01 95.560  0.9764 
1 1 1 8  19 15 o 5  1.26237e+02 3.57192e+01 1.15781e+02 186.599 -4.01233e+00 -4.64204e-01 0.00000e+00 0.00000e+00 4.64384e+01 186.599 6.93424e+01 6.599   0.8650 
1 1 1 8  19 16 o 15 1.02621e+02 2.32988e+01 1.17012e+02 315.294 3.52422e+00  -3.48820e+00 0.00000e+00 0.00000e+00 2.01049e+01 315.294 9.69076e+01 135.294 0.8924 
1 1 1 8  19 17 o 17 6.78973e+01 2.38989e+01 4.88895e+01 17.698  1.34501e+00  4.29205e-01  0.00000e+00 0.00000e+00 9.90606e+00 17.698  3.89835e+01 197.698 0.5736 
1 1 1 8  19 18 o 4  1.25695e+02 2.15744e+01 6.32647e+01 116.775 -1.85630e+00 3.67879e+00  0.00000e+00 0.00000e+00 1.02915e+02 116.775 3.96508e+01 116.775 0.8680 
1 1 1 8  19 19 o 16 5.57238e+01 2.31943e+01 2.09727e+01 145.593 -4.85803e-01 3.32729e-01  0.00000e+00 0.00000e+00 3.21616e+00 145.593 1.77566e+01 325.593 0.2823 
1 1 1 8  19 20 o 16 9.19463e+01 3.68345e+01 1.20928e+02 23.142  4.29426e+00  1.83534e+00  0.00000e+00 0.00000e+00 5.42938e+00 23.142  1.15498e+02 203.142 0.8851 
1 1 1 8  19 21 o 11 1.01954e+02 2.60611e+01 7.01829e+01 197.859 -4.14289e+00 -1.33488e+00 0.00000e+00 0.00000e+00 6.98979e+01 197.859 2.84995e-01 17.859  0.8758 
1 1 1 8  19 22 o 1  9.84820e+01 3.22713e+01 5.29810e+01 250.041 -1.00178e+00 -2.75850e+00 0.00000e+00 0.00000e+00 7.27488e+01 250.041 1.97677e+01 250.041 0.8050 
1 1 1 8  19 23 o 7  7.13894e+01 2.90647e+01 5.81834e+01 353.050 2.87335e+00  -3.50279e-01 0.00000e+00 0.00000e+00 3.36360e+01 353.050 2.45474e+01 173.050 0.8019 
1 1 1 8  19 24 o 13 5.77680e+01 2.50554e+01 3.62740e+01 131.318 -1.19783e+00 1.36261e+00  0.00000e+00 0.00000e+00 2.60574e+01 131.318 1.02166e+01 311.318 0.6648 
1 1 1 8  19 25 o 7  5.60563e+01 2.46687e+01 2.75090e+01 304.293 8.58194e-01  -1.25839e+00 0.00000e+00 0.00000e+00 2.79262e+01 304.293 4.17263e-01 304.293 0.6018 
1 1 1 8  19 26 o 15 4.53411e+01 2.20609e+01 1.38245e+01 279.152 1.18441e-01  -7.35182e-01 0.00000e+00 0.00000e+00 1.24923e+01 279.152 1.33216e+00 99.152  0.3487 
1 1 1 8  19 27 o 7  4.75351e+01 2.26581e+01 2.78482e+01 142.157 -1.33781e+00 1.03934e+00  0.00000e+00 0.00000e+00 2.35187e+01 142.157 4.32950e+00 322.157 0.6406 
1 1 1 8  19 28 f 0  8.39351e+01 3.10037e+01 3.08296e+01 267.228 -1.10953e-01 -2.29153e+00 0.00000e+00 0.00000e+00 7.55023e+01 267.228 4.46727e+01 267.228 0.7406 
1 1 1 8  19 29 o 19 5.96878e+01 2.66997e+01 1.81449e+01 66.728  5.04325e-01  1.17260e+00  0.00000e+00 0.00000e+00 3.73517e+01 66.728  1.92068e+01 66.728  0.5358 
1 1 1 8  19 30 o 19 6.29602e+01 2.78307e+01 2.20928e+01 57.080  8.92397e-01  1.37836e+00  0.00000e+00 0.00000e+00 4.76930e+01 57.080  2.56001e+01 57.080  0.6293 
1 1 1 8  19 31 o 3  5.16681e+01 2.45377e+01 1.78420e+01 140.289 -1.06258e+00 8.82517e-01  0.00000e+00 0.00000e+00 3.44056e+01 140.289 1.65636e+01 140.289 0.5654 
1 1 1 8  20 0  o 13 5.86141e+02 2.16679e+01 2.90765e+02 0.000   1.81230e+01  0.00000e+00  0.00000e+00 0.00000e+00 5.49249e+02 0.000   2.58484e+02 0.000   1.0000 
1 1 1 8  20 1  o 9  4.66129e+02 1.59770e+01 2.12669e+02 26.631  1.87685e+01  9.41141e+00  0.00000e+00 0.00000e+00 4.39410e+02 26.631  2.26742e+02 26.631  0.9759 
1 1 1 8  20 2  o 13 2.42380e+02 1.23193e+01 1.63156e+02 107.225 -2.51225e+00 8.10311e+00  0.00000e+00 0.00000e+00 1.63370e+02 107.225 2.14221e-01 107.225 0.9391 
1 1 1 8  20 3  o 6  5.28963e+01 2.16573e+01 1.90604e+01 237.892 -1.00976e-01 -1.60922e-01 0.00000e+00 0.00000e+00 1.18755e+01 57.892  3.09359e+01 57.892  0.0946 
1 1 1 8  20 4  o 16 2.20975e+02 1.51336e+01 1.38401e+02 228.128 -3.94815e+00 -4.40457e+00 0.00000e+00 0.00000e+00 1.51272e+02 228.128 1.28704e+01 228.128 0.9110 
1 1 1 8  20 5  o 4  2.43274e+02 2.03657e+01 1.17650e+02 79.804  1.00021e+00  5.56093e+00  0.00000e+00 0.00000e+00 2.00413e+02 79.804  8.27626e+01 79.804  0.9066 
1 1 1 8  20 6  o 16 3.23160e+02 1.72573e+01 8.90279e+01 211.287 -4.88445e+00 -2.96832e+00 0.00000e+00 0.00000e+00 3.35189e+02 211.287 2.46161e+02 211.287 0.9077 
1 1 1 8  20 7  o 1  3.94756e+02 1.34269e+01 1.80305e+02 310.805 9.45383e+00  -1.09505e+01 0.00000e+00 0.00000e+00 3.72300e+02 310.805 1.91994e+02 310.805 0.9648 
1 1 1 8  20 8  o 16 1.45297e+02 2.51357e+01 5.76181e+01 260.120 -3.23260e-01 -1.85598e+00 0.00000e+00 0.00000e+00 8.58070e+01 260.120 2.81889e+01 260.120 0.6778 
1 1 1 8  20 9  o 5  6.31855e+02 2.41900e+01 2.24585e+02 199.941 -2.98191e+01 -1.08187e+01 0.00000e+00 0.00000e+00 6.84944e+02 199.941 4.60359e+02 199.941 0.9841 
1 1 1 8  20 10 o 3  5.09944e+02 1.79128e+01 2.89802e+02 18.567  3.75834e+01  1.26240e+01  0.00000e+00 0.00000e+00 4.50162e+02 18.567  1.60360e+02 18.567  0.9873 
1 1 1 8  20 11 o 19 2.08943e+02 1.80964e+01 1.16058e+02 144.105 -5.75548e+00 4.16552e+00  0.00000e+00 0.00000e+00 1.70027e+02 144.105 5.39689e+01 144.105 0.9267 
1 1 1 8  20 12 o 6  5.78383e+01 2.45918e+01 4.70922e+01 218.047 -6.27307e-01 -4.90942e-01 0.00000e+00 0.00000e+00 1.53137e+01 38.047  6.24060e+01 38.047  0.3697 
1 1 1 8  20 13 o 1  5.18457e+01 2.34479e+01 1.64685e+01 310.097 1.81210e-01  -2.15220e-01 0.00000e+00 0.00000e+00 5.66762e+00 130.097 2.21361e+01 130.097 0.1393 
1 1 1 8  20 14 f 0  1.33991e+02 3.37508e+01 4.47226e+01 193.470 -1.70577e+00 -4.08580e-01 0.00000e+00 0.00000e+00 8.70148e+01 193.470 4.22922e+01 193.470 0.6530 
1 1 1 8  20 15 o 12 1.33876e+02 3.51649e+01 7.93331e+01 305.165 2.19702e+00  -3.11857e+00 0.00000e+00 0.00000e+00 9.44883e+01 305.165 1.51551e+01 305.165 0.8560 
1 1 1 8  20 16 o 9  8.57108e+01 2.48873e+01 7.30915e+01 8.954   2.58868e+00  4.07897e-01  0.00000e+00 0.00000e+00 2.87817e+01 8.954   4.43098e+01 188.954 0.7775 
1 1 1 8  20 17 o 16 1.23368e+02 2.06985e+01 7.52420e+01 111.921 -1.82339e+00 4.53101e+00  0.00000e+00 0.00000e+00 9.41271e+01 111.921 1.88851e+01 111.921 0.8906 
1 1 1 8  20 18 o 6  6.67270e+01 2.39173e+01 4.79182e+01 136.739 -1.29003e+00 1.21400e+00  0.00000e+00 0.00000e+00 2.01999e+01 136.739 2.77183e+01 316.739 0.6564 
1 1 1 8  20 19 o 16 8.42877e+01 2.55192e+01 5.93592e+01 331.824 2.21020e+00  -1.18389e+00 0.00000e+00 0.00000e+00 4.19605e+01 331.824 1.73987e+01 151.824 0.7658 
1 1 1 8  20 20 o 19 5.54415e+01 2.30255e+01 3.35572e+01 141.605 -9.57254e-01 7.58580e-01  0.00000e+00 0.00000e+00 1.20876e+01 141.605 2.14696e+01 321.605 0.5194 
1 1 1 8  20 21 o 1  6.45601e+01 2.49360e+01 5.39899e+01 263.641 -2.67720e-01 -2.40231e+00 0.00000e+00 0.00000e+00 2.41520e+01 263.641 2.98379e+01 83.641  0.7557 
1 1 1 8  20 22 o 8  6.16609e+01 2.73685e+01 3.67853e+01 282.209 3.53550e-01  -1.63400e+00 0.00000e+00 0.00000e+00 2.66952e+01 282.209 1.00902e+01 102.209 0.6358 
1 1 1 8  20 23 o 11 5.85602e+01 2.81311e+01 8.17045e+01 69.380  1.30935e+00  3.47981e+00  0.00000e+00 0.00000e+00 2.30164e-02 249.380 8.17275e+01 249.380 0.8517 
1 1 1 8  20 24 o 11 4.75862e+01 2.22683e+01 1.06050e+01 155.977 -5.02321e-01 2.23885e-01  0.00000e+00 0.00000e+00 1.02987e+01 155.977 3.06315e-01 335.977 0.2651 
1 1 1 8  20 25 o 3  5.13797e+01 2.38237e+01 1.19209e+01 260.151 -1.13165e-01 -6.51849e-01 0.00000e+00 0.00000e+00 1.51408e+01 260.151 3.21993e+00 260.151 0.3139 
1 1 1 8  20 26 o 18 6.83598e+01 2.85466e+01 1.40522e+01 167.784 -9.05694e-01 1.96086e-01  0.00000e+00 0.00000e+00 3.47197e+01 167.784 2.06675e+01 167.784 0.4198 
1 1 1 8  20 27 f 0  6.35104e+01 2.78316e+01 2.39271e+01 208.371 -1.37978e+00 -7.45155e-01 0.00000e+00 0.00000e+00 4.30761e+01 208.371 1.91489e+01 208.371 0.6125 
1 1 1 8  20 28 o 11 7.07884e+01 2.92136e+01 1.14349e+01 305.044 4.82322e-01  -6.87707e-01 0.00000e+00 0.00000e+00 3.63880e+01 305.044 2.49531e+01 305.044 0.3868 
1 1 1 8  20 29 o 7  6.57068e+01 2.84073e+01 1.17824e+01 111.799 -3.23044e-01 8.07718e-01  0.00000e+00 0.00000e+00 3.45973e+01 111.799 2.28149e+01 111.799 0.3984 
1 1 1 8  20 30 o 7  5.33009e+01 2.50924e+01 2.76703e+01 356.570 2.12048e+00  -1.27080e-01 0.00000e+00 0.00000e+00 4.10689e+01 356.570 1.33987e+01 356.570 0.7172 
1 1 1 8  21 0  o 13 1.93304e+02 1.91810e+01 1.56188e+02 0.000   3.10068e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.25818e+02 0.000   3.03701e+01 180.000 0.9960 
1 1 1 8  21 1  o 16 6.32116e+02 1.61107e+01 3.10429e+02 184.117 -3.97121e+01 -2.85817e+00 0.00000e+00 0.00000e+00 6.04022e+02 184.117 2.93593e+02 184.117 0.9874 
1 1 1 8  21 2  o 15 2.06870e+02 1.51846e+01 1.04597e+02 139.337 -3.33552e+00 2.86529e+00  0.00000e+00 0.00000e+00 1.61492e+02 139.337 5.68946e+01 139.337 0.8772 
1 1 1 8  21 3  o 7  2.61471e+02 1.50330e+01 1.72727e+02 8.232   9.04799e+00  1.30905e+00  0.00000e+00 0.00000e+00 1.89499e+02 8.232   1.67719e+01 8.232   0.9436 
1 1 1 8  21 4  o 17 5.12395e+02 2.11750e+01 2.12827e+02 280.354 3.81686e+00  -2.08908e+01 0.00000e+00 0.00000e+00 5.22800e+02 280.354 3.09973e+02 280.354 0.9762 
1 1 1 8  21 5  o 1  4.40614e+02 1.61478e+01 2.07479e+02 133.452 -1.50910e+01 1.59293e+01  0.00000e+00 0.00000e+00 4.27038e+02 133.452 2.19559e+02 133.452 0.9769 
1 1 1 8  21 6  o 3  1.98213e+02 1.65153e+01 7.79495e+01 52.115  2.25094e+00  2.89299e+00  0.00000e+00 0.00000e+00 1.70888e+02 52.115  9.29382e+01 52.115  0.8493 
1 1 1 8  21 7  o 16 2.75125e+02 1.31901e+01 1.14970e+02 306.805 5.30088e+00  -7.08466e+00 0.00000e+00 0.00000e+00 2.69245e+02 306.805 1.54275e+02 306.805 0.9417 
1 1 1 8  21 8  o 4  5.39282e+02 1.76946e+01 2.10942e+02 134.189 -2.36888e+01 2.43687e+01  0.00000e+00 0.00000e+00 5.79949e+02 134.189 3.69007e+02 134.189 0.9852 
1 1 1 8  21 9  o 7  1.38579e+02 1.60184e+01 1.19053e+02 249.905 -1.96506e+00 -5.37136e+00 0.00000e+00 0.00000e+00 6.90187e+01 249.905 5.00338e+01 69.905  0.9078 
1 1 1 8  21 10 o 1  6.63702e+01 2.43159e+01 1.07326e+02 358.362 2.09904e+00  -6.00142e-02 0.00000e+00 0.00000e+00 3.61877e+01 178.362 1.43514e+02 178.362 0.7135 
1 1 1 8  21 11 o 15 8.61828e+01 2.67000e+01 9.21405e+01 320.039 1.94186e+00  -1.62714e+00 0.00000e+00 0.00000e+00 7.89265e+00 320.039 8.42478e+01 140.039 0.7686 
1 1 1 8  21 12 o 8  1.50897e+02 3.02218e+01 1.11348e+02 115.569 -2.25330e+00 4.70952e+00  0.00000e+00 0.00000e+00 9.45408e+01 115.569 1.68072e+01 295.569 0.8983 
1 1 1 8  21 13 o 3  7.52889e+01 2.80331e+01 4.99865e+01 119.996 -7.28016e-01 1.26118e+00  0.00000e+00 0.00000e+00 1.73522e+01 119.996 3.26343e+01 299.996 0.5851 
1 1 1 8  21 14 o 15 1.24156e+02 3.49018e+01 1.21968e+02 242.187 -2.50604e+00 -4.75054e+00 0.00000e+00 0.00000e+00 5.02564e+01 242.187 7.17120e+01 62.187  0.9013 
1 1 1 8  21 15 o 10 1.50960e+02 3.40746e+01 1.23501e+02 337.567 5.99790e+00  -2.47623e+00 0.00000e+00 0.00000e+00 9.16571e+01 337.567 3.18442e+01 157.567 0.9193 
1 1 1 8  21 16 o 8  1.35154e+02 2.95322e+01 6.91310e+01 49.314  2.75557e+00  3.20528e+00  0.00000e+00 0.00000e+00 1.14954e+02 49.314  4.58226e+01 49.314  0.8717 
1 1 1 8  21 17 o 15 1.32235e+02 2.15678e+01 8.52776e+01 133.291 -4.48810e+00 4.76415e+00  0.00000e+00 0.00000e+00 1.06412e+02 133.291 2.11343e+01 133.291 0.9201 
1 1 1 8  21 18 o 18 4.41240e+01 1.97018e+01 2.74228e+01 86.165  4.52972e-02  6.75784e-01  0.00000e+00 0.00000e+00 4.93685e+00 266.165 3.23596e+01 266.165 0.3206 
1 1 1 8  21 19 o 11 8.47646e+01 2.45733e+01 5.92320e+01 31.857  2.69698e+00  1.67590e+00  0.00000e+00 0.00000e+00 5.25780e+01 31.857  6.65399e+00 211.857 0.8222 
1 1 1 8  21 20 o 1  9.41560e+01 2.42964e+01 4.66744e+01 269.899 -5.45949e-03 -3.10405e+00 0.00000e+00 0.00000e+00 7.80249e+01 269.899 3.13505e+01 269.899 0.8174 
1 1 1 8  21 21 o 16 6.49007e+01 2.55457e+01 4.22078e+01 250.163 -7.27075e-01 -2.01542e+00 0.00000e+00 0.00000e+00 3.42755e+01 250.163 7.93230e+00 70.163  0.7198 
1 1 1 8  21 22 o 13 9.28295e+01 3.05978e+01 6.64128e+01 337.073 4.03303e+00  -1.70584e+00 0.00000e+00 0.00000e+00 6.82672e+01 337.073 1.85432e+00 337.073 0.8767 
1 1 1 8  21 23 o 4  8.28252e+01 3.21348e+01 3.83420e+01 147.541 -1.96158e+00 1.24770e+00  0.00000e+00 0.00000e+00 6.48744e+01 147.541 2.65324e+01 147.541 0.7445 
1 1 1 8  21 24 o 5  5.11943e+01 2.34859e+01 2.86922e+01 211.594 -1.37182e+00 -8.43749e-01 0.00000e+00 0.00000e+00 2.52684e+01 211.594 3.42381e+00 31.594  0.6223 
1 1 1 8  21 25 o 3  4.59112e+01 2.18526e+01 1.85361e+01 354.426 1.12970e+00  -1.10244e-01 0.00000e+00 0.00000e+00 2.02156e+01 354.426 1.67956e+00 354.426 0.4922 
1 1 1 8  21 26 o 13 6.97284e+01 2.80028e+01 1.06754e+01 26.455  6.83176e-01  3.39956e-01  0.00000e+00 0.00000e+00 3.24707e+01 26.455  2.17953e+01 26.455  0.3562 
1 1 1 8  21 27 o 10 5.72984e+01 2.59676e+01 1.67298e+01 233.438 -7.05566e-01 -9.51370e-01 0.00000e+00 0.00000e+00 3.45058e+01 233.438 1.77760e+01 233.438 0.5079 
1 1 1 8  21 28 o 17 7.32483e+01 2.96151e+01 2.32582e+01 49.673  1.15364e+00  1.35903e+00  0.00000e+00 0.00000e+00 6.28597e+01 49.673  3.96014e+01 49.673  0.6587 
1 1 1 8  21 29 o 2  5.64600e+01 2.59199e+01 2.00279e+01 131.980 -1.02927e+00 1.14394e+00  0.00000e+00 0.00000e+00 4.18877e+01 131.980 2.18598e+01 131.980 0.6056 
1 1 1 8  22 0  o 1  9.33174e+01 3.09664e+01 5.44776e+01 180.000 -6.74059e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.77108e+01 180.000 2.67668e+01 0.000   0.5876 
1 1 1 8  22 1  o 2  5.65389e+02 1.81897e+01 3.35957e+02 164.700 -5.00224e+01 1.36848e+01  0.00000e+00 0.00000e+00 5.03431e+02 164.700 1.67475e+02 164.700 0.9903 
1 1 1 8  22 2  o 7  1.69793e+02 1.45923e+01 1.02934e+02 358.640 4.87620e+00  -1.15798e-01 0.00000e+00 0.00000e+00 1.23900e+02 358.640 2.09659e+01 358.640 0.8905 
1 1 1 8  22 3  o 13 4.29152e+01 1.96937e+01 2.78918e+01 228.712 -2.35143e-01 -2.67767e-01 0.00000e+00 0.00000e+00 1.65838e+01 48.712  4.44756e+01 48.712  0.1754 
1 1 1 8  22 4  o 18 1.40550e+02 2.05060e+01 7.13147e+01 154.649 -2.66235e+00 1.26140e+00  0.00000e+00 0.00000e+00 9.91395e+01 154.649 2.78248e+01 154.649 0.8059 
1 1 1 8  22 5  o 6  4.00390e+02 1.62933e+01 2.06193e+02 325.813 2.06358e+01  -1.40170e+01 0.00000e+00 0.00000e+00 3.85464e+02 325.813 1.79271e+02 325.813 0.9797 
1 1 1 8  22 6  o 10 3.26332e+02 1.59340e+01 1.44865e+02 346.551 1.60386e+01  -3.83538e+00 0.00000e+00 0.00000e+00 3.33485e+02 346.551 1.88620e+02 346.551 0.9692 
1 1 1 8  22 7  o 4  1.90915e+02 2.19624e+01 1.67410e+02 139.451 -7.40403e+00 6.33456e+00  0.00000e+00 0.00000e+00 1.06992e+02 139.451 6.04177e+01 319.451 0.9472 
1 1 1 8  22 8  o 9  4.77103e+02 1.92016e+01 1.94041e+02 174.153 -2.85174e+01 2.92020e+00  0.00000e+00 0.00000e+00 5.19870e+02 174.153 3.25828e+02 174.153 0.9824 
1 1 1 8  22 9  o 1  5.36564e+02 1.56973e+01 2.12083e+02 330.115 3.55378e+01  -2.04226e+01 0.00000e+00 0.00000e+00 5.98621e+02 330.115 3.86538e+02 330.115 0.9877 
1 1 1 8  22 10 o 8  9.26417e+01 2.53325e+01 4.96973e+01 301.725 8.06529e-01  -1.30461e+00 0.00000e+00 0.00000e+00 3.63622e+01 301.725 1.33351e+01 121.725 0.6044 
1 1 1 8  22 11 o 5  2.75299e+02 1.94506e+01 1.03970e+02 142.509 -1.00597e+01 7.71664e+00  0.00000e+00 0.00000e+00 3.04286e+02 142.509 2.00316e+02 142.509 0.9597 
1 1 1 8  22 12 o 13 1.29824e+02 2.57491e+01 3.63083e+01 73.356  5.68556e-01  1.90185e+00  0.00000e+00 0.00000e+00 1.03983e+02 73.356  6.76745e+01 73.356  0.6953 
1 1 1 8  22 13 o 11 1.23823e+02 3.11148e+01 6.95484e+01 113.259 -1.25875e+00 2.92858e+00  0.00000e+00 0.00000e+00 8.98257e+01 113.259 2.02773e+01 113.259 0.8230 
1 1 1 8  22 14 o 16 2.06764e+02 2.64656e+01 1.66427e+02 312.718 1.11494e+01  -1.20748e+01 0.00000e+00 0.00000e+00 1.49098e+02 312.718 1.73290e+01 132.718 0.9691 
1 1 1 8  22 15 o 10 5.60499e+01 2.55530e+01 1.94829e+01 194.526 -5.71758e-01 -1.48144e-01 0.00000e+00 0.00000e+00 5.69177e+00 194.526 1.37911e+01 14.526  0.2831 
1 1 1 8  22 16 o 4  1.49417e+02 2.83083e+01 9.93042e+01 141.145 -5.99468e+00 4.82932e+00  0.00000e+00 0.00000e+00 1.23467e+02 141.145 2.41624e+01 141.145 0.9326 
1 1 1 8  22 17 o 3  8.58038e+01 3.09509e+01 6.77289e+01 320.255 2.07503e+00  -1.72550e+00 0.00000e+00 0.00000e+00 4.08524e+01 320.255 2.68765e+01 140.255 0.7850 
1 1 1 8  22 18 o 13 5.43487e+01 2.23657e+01 2.41488e+01 2.618   9.43484e-01  4.31419e-02  0.00000e+00 0.00000e+00 1.35383e+01 2.618   1.06105e+01 182.618 0.4264 
1 1 1 8  22 19 o 1  4.83278e+01 2.11273e+01 6.06681e+01 186.401 -2.39489e+00 -2.68652e-01 0.00000e+00 0.00000e+00 7.83298e-01 6.401   6.14514e+01 6.401   0.7548 
1 1 1 8  22 20 o 8  7.72354e+01 2.60576e+01 5.44803e+01 251.234 -1.10171e+00 -3.24254e+00 0.00000e+00 0.00000e+00 5.27007e+01 251.234 1.77969e+00 71.234  0.8371 
1 1 1 8  22 21 o 13 7.87287e+01 2.70146e+01 5.56321e+01 341.351 3.64970e+00  -1.23171e+00 0.00000e+00 0.00000e+00 5.74616e+01 341.351 1.82954e+00 341.351 0.8576 
1 1 1 8  22 22 o 16 8.60853e+01 3.06357e+01 6.89744e+01 63.952  2.01792e+00  4.12859e+00  0.00000e+00 0.00000e+00 5.97509e+01 63.952  9.22351e+00 243.952 0.8831 
1 1 1 8  22 23 o 4  5.48788e+01 2.57280e+01 3.07945e+01 160.286 -1.57902e+00 5.65809e-01  0.00000e+00 0.00000e+00 2.90772e+01 160.286 1.71733e+00 340.286 0.6370 
1 1 1 8  22 24 o 5  5.18893e+01 2.47232e+01 2.95195e+01 201.522 -1.64452e+00 -6.48520e-01 0.00000e+00 0.00000e+00 2.94470e+01 201.522 7.25440e-02 21.522  0.6557 
1 1 1 8  22 25 o 15 7.35874e+01 2.86573e+01 4.18656e+01 178.273 -3.04371e+00 9.17622e-02  0.00000e+00 0.00000e+00 6.31414e+01 178.273 2.12758e+01 178.273 0.8133 
1 1 1 8  22 26 o 14 5.05576e+01 2.35024e+01 2.25954e+01 302.267 8.66060e-01  -1.37174e+00 0.00000e+00 0.00000e+00 3.35598e+01 302.267 1.09645e+01 302.267 0.6249 
1 1 1 8  22 27 o 11 4.83765e+01 2.31572e+01 3.75872e+01 336.157 2.54379e+00  -1.12421e+00 0.00000e+00 0.00000e+00 3.14616e+01 336.157 6.12560e+00 156.157 0.7924 
1 1 1 8  22 28 o 2  4.30230e+01 2.10190e+01 1.69574e+01 105.469 -3.53203e-01 1.27625e+00  0.00000e+00 0.00000e+00 2.62274e+01 105.469 9.26991e+00 105.469 0.5496 
1 1 1 8  23 0  o 14 4.89698e+01 2.81336e+01 1.06535e+00 0.000   8.17004e-03  0.00000e+00  0.00000e+00 0.00000e+00 4.51165e-01 180.000 1.51651e+00 180.000 0.0082 
1 1 1 8  23 1  o 13 1.78281e+02 1.42235e+01 1.20044e+02 10.847  6.89923e+00  1.32193e+00  0.00000e+00 0.00000e+00 1.33405e+02 10.847  1.33612e+01 10.847  0.9258 
1 1 1 8  23 2  o 4  1.20040e+02 1.76238e+01 4.21476e+01 303.219 8.83628e-01  -1.34936e+00 0.00000e+00 0.00000e+00 7.27450e+01 303.219 3.05974e+01 303.219 0.6228 
1 1 1 8  23 3  o 4  1.88313e+02 1.79582e+01 1.41226e+02 209.480 -7.33196e+00 -4.14478e+00 0.00000e+00 0.00000e+00 1.30734e+02 209.480 1.04921e+01 29.480  0.9386 
1 1 1 8  23 4  o 15 1.01889e+02 2.52207e+01 4.97148e+01 40.645  1.27079e+00  1.09091e+00  0.00000e+00 0.00000e+00 5.02421e+01 40.645  5.27282e-01 40.645  0.6365 
1 1 1 8  23 5  o 11 2.04078e+02 1.79344e+01 5.41954e+01 345.466 3.82340e+00  -9.91237e-01 0.00000e+00 0.00000e+00 2.17434e+02 345.466 1.63238e+02 345.466 0.8616 
1 1 1 8  23 6  o 16 2.40298e+02 1.68877e+01 9.48855e+01 201.068 -7.93882e+00 -3.05817e+00 0.00000e+00 0.00000e+00 2.54759e+02 201.068 1.59873e+02 201.068 0.9392 
1 1 1 8  23 7  o 10 2.33597e+02 2.08432e+01 1.83401e+01 199.320 -1.43343e+00 -5.02530e-01 0.00000e+00 0.00000e+00 1.99787e+02 199.320 1.81447e+02 199.320 0.6008 
1 1 1 8  23 8  o 13 1.50682e+02 1.67577e+01 6.00005e+01 162.255 -3.99403e+00 1.27808e+00  0.00000e+00 0.00000e+00 1.44658e+02 162.255 8.46575e+01 162.255 0.8706 
1 1 1 8  23 9  o 7  2.57784e+02 1.38811e+01 1.52659e+02 27.226  1.79810e+01  9.25146e+00  0.00000e+00 0.00000e+00 2.41130e+02 27.226  8.84714e+01 27.226  0.9750 
1 1 1 8  23 10 o 15 8.88494e+01 2.21630e+01 6.77905e+01 9.016   2.66089e+00  4.22227e-01  0.00000e+00 0.00000e+00 4.19556e+01 9.016   2.58349e+01 189.016 0.7846 
1 1 1 8  23 12 o 5  5.02907e+01 2.25074e+01 4.92141e+01 40.285  9.78961e-01  8.29782e-01  0.00000e+00 0.00000e+00 6.15558e+00 220.285 5.53697e+01 220.285 0.5378 
1 1 1 8  23 14 o 4  4.61663e+01 2.20464e+01 1.06456e+01 318.377 2.21448e-01  -1.96771e-01 0.00000e+00 0.00000e+00 2.64700e-01 318.377 1.03809e+01 138.377 0.1465 
1 1 1 8  23 15 o 19 1.12861e+02 3.00924e+01 6.82257e+01 122.375 -1.88754e+00 2.97716e+00  0.00000e+00 0.00000e+00 8.62502e+01 122.375 1.80245e+01 122.375 0.8424 
1 1 1 8  23 16 o 8  8.43812e+01 2.51143e+01 8.17255e+01 128.095 -2.67920e+00 3.41756e+00  0.00000e+00 0.00000e+00 3.92505e+01 128.095 4.24751e+01 308.095 0.8755 
1 1 1 8  23 17 o 4  4.56608e+01 2.02927e+01 3.14721e+01 354.011 1.14027e+00  -1.19621e-01 0.00000e+00 0.00000e+00 5.91711e+00 354.011 2.55550e+01 174.011 0.4959 
1 1 1 8  23 18 f 0  6.17249e+01 2.65399e+01 5.06941e+01 339.409 2.04316e+00  -7.67606e-01 0.00000e+00 0.00000e+00 2.39148e+01 339.409 2.67793e+01 159.409 0.7256 
1 1 1 8  23 19 o 7  6.78374e+01 2.50354e+01 8.34785e+00 83.529  5.36560e-02  4.73090e-01  0.00000e+00 0.00000e+00 1.80656e+01 83.529  9.71773e+00 83.529  0.2316 
1 1 1 8  23 20 o 11 8.30536e+01 2.67624e+01 5.33429e+01 226.409 -2.70184e+00 -2.83811e+00 0.00000e+00 0.00000e+00 6.79897e+01 226.409 1.46468e+01 226.409 0.8603 
1 1 1 8  23 21 o 4  5.03355e+01 2.30040e+01 1.79231e+01 255.544 -2.37631e-01 -9.21748e-01 0.00000e+00 0.00000e+00 1.91335e+01 255.544 1.21041e+00 255.544 0.4291 
1 1 1 8  23 22 o 4  4.13918e+01 1.98310e+01 1.19438e+01 23.281  5.97097e-01  2.56913e-01  0.00000e+00 0.00000e+00 1.02380e+01 23.281  1.70579e+00 203.281 0.3090 
1 1 1 8  23 23 o 6  4.62159e+01 2.17110e+01 2.71639e+00 293.071 6.58423e-02  -1.54583e-01 0.00000e+00 0.00000e+00 4.07073e+00 293.071 1.35434e+00 293.071 0.0837 
1 1 1 8  23 24 o 8  5.70752e+01 2.69462e+01 3.49382e+01 56.070  1.19324e+00  1.77375e+00  0.00000e+00 0.00000e+00 3.79239e+01 56.070  2.98575e+00 56.070  0.7191 
1 1 1 8  23 25 o 12 5.12784e+01 2.35988e+01 7.23288e+00 281.676 1.05495e-01  -5.10499e-01 0.00000e+00 0.00000e+00 1.60070e+01 281.676 8.77414e+00 281.676 0.2522 
1 1 1 8  23 26 o 15 7.24167e+01 2.86436e+01 1.55644e+01 205.737 -1.11262e+00 -5.36352e-01 0.00000e+00 0.00000e+00 5.34553e+01 205.737 3.78909e+01 205.737 0.5235 
1 1 1 8  23 27 o 5  5.06607e+01 2.37340e+01 9.29149e-01 258.881 -1.36416e-02 -6.94125e-02 0.00000e+00 0.00000e+00 2.37477e+00 258.881 1.44562e+00 258.881 0.0353 
1 1 1 8  24 0  o 18 9.45101e+01 3.35993e+01 1.54779e+02 180.000 -3.11808e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.59051e+00 0.000   1.61370e+02 0.000   0.9961 
1 1 1 8  24 1  o 15 2.11466e+02 1.72888e+01 1.49932e+02 341.957 1.40994e+01  -4.59295e+00 0.00000e+00 0.00000e+00 1.71593e+02 341.957 2.16601e+01 341.957 0.9657 
1 1 1 8  24 2  o 2  7.64349e+01 2.21957e+01 2.37745e+01 55.098  4.53039e-01  6.49369e-01  0.00000e+00 0.00000e+00 2.05223e+01 55.098  3.25215e+00 235.098 0.3678 
1 1 1 8  24 3  o 17 1.35466e+02 2.20459e+01 1.12395e+02 139.924 -5.07176e+00 4.26722e+00  0.00000e+00 0.00000e+00 8.44716e+01 139.924 2.79238e+01 319.924 0.9211 
1 1 1 8  24 4  o 14 6.69947e+01 2.56126e+01 1.30147e+02 343.430 3.42270e+00  -1.01843e+00 0.00000e+00 0.00000e+00 4.07038e+01 163.430 1.70851e+02 163.430 0.8447 
1 1 1 8  24 5  o 10 7.09429e+01 2.56072e+01 4.44913e+01 298.025 6.47084e-01  -1.21570e+00 0.00000e+00 0.00000e+00 1.89210e+01 298.025 2.55703e+01 118.025 0.5643 
1 1 1 8  24 6  o 1  2.85704e+02 1.67319e+01 1.74821e+02 176.721 -2.48296e+01 1.42237e+00  0.00000e+00 0.00000e+00 2.69791e+02 176.721 9.49698e+01 176.721 0.9797 
1 1 1 8  24 7  o 2  2.21082e+02 2.18457e+01 6.56395e+01 51.904  4.04752e+00  5.16265e+00  0.00000e+00 0.00000e+00 2.58603e+02 51.904  1.92963e+02 51.904  0.9203 
1 1 1 8  24 8  o 13 1.55630e+02 4.12837e+01 1.56253e+02 346.340 7.23501e+00  -1.75839e+00 0.00000e+00 0.00000e+00 7.53340e+01 346.340 8.09187e+01 166.340 0.9302 
1 1 1 8  24 9  o 10 4.34253e+01 1.86063e+01 3.18886e+01 270.177 2.41173e-03  -7.78909e-01 0.00000e+00 0.00000e+00 6.58934e+00 90.177  3.84780e+01 90.177  0.3626 
1 1 1 8  24 10 o 16 1.21205e+02 1.93356e+01 2.19702e+01 303.769 8.31034e-01  -1.24282e+00 0.00000e+00 0.00000e+00 9.44316e+01 303.769 7.24615e+01 303.769 0.5949 
1 1 1 8  24 11 o 1  5.17760e+01 2.11374e+01 4.24760e+01 74.844  3.45195e-01  1.27439e+00  0.00000e+00 0.00000e+00 3.61057e+00 74.844  3.88654e+01 254.844 0.5485 
1 1 1 8  24 12 o 17 7.62782e+01 2.75126e+01 2.72203e+01 204.413 -1.00997e+00 -4.58424e-01 0.00000e+00 0.00000e+00 3.30092e+01 204.413 5.78896e+00 204.413 0.4837 
1 1 1 8  24 13 o 11 5.36049e+01 2.36518e+01 5.77934e+01 290.306 5.68781e-01  -1.53708e+00 0.00000e+00 0.00000e+00 2.43826e+00 110.306 6.02317e+01 110.306 0.6287 
1 1 1 8  24 14 o 13 1.11459e+02 3.49710e+01 6.41168e+01 183.245 -3.45095e+00 -1.95651e-01 0.00000e+00 0.00000e+00 9.05060e+01 183.245 2.63892e+01 183.245 0.8388 
1 1 1 8  24 15 o 3  6.40935e+01 2.71710e+01 7.87262e+01 100.890 -6.03520e-01 3.13699e+00  0.00000e+00 0.00000e+00 9.19667e+00 100.890 6.95295e+01 280.890 0.8234 
1 1 1 8  24 16 o 6  4.47515e+01 2.17011e+01 4.32558e+01 315.375 1.12261e+00  -1.10802e+00 0.00000e+00 0.00000e+00 2.93183e+00 315.375 4.03240e+01 135.375 0.6147 
1 1 1 8  24 17 o 17 9.12085e+01 2.54039e+01 2.14789e+01 188.281 -1.52906e+00 -2.22559e-01 0.00000e+00 0.00000e+00 7.22740e+01 188.281 5.07951e+01 188.281 0.6071 
1 1 1 8  24 18 o 2  7.02521e+01 2.50474e+01 3.16611e+01 212.076 -1.64257e+00 -1.02944e+00 0.00000e+00 0.00000e+00 5.08279e+01 212.076 1.91667e+01 212.076 0.6874 
1 1 1 8  24 19 o 13 8.00491e+01 3.04139e+01 7.08427e+01 280.263 8.01870e-01  -4.42868e+00 0.00000e+00 0.00000e+00 5.06598e+01 280.263 2.01829e+01 100.263 0.8804 
1 1 1 8  24 20 o 11 8.62491e+01 2.67543e+01 7.23643e+01 47.639  3.89746e+00  4.27411e+00  0.00000e+00 0.00000e+00 6.41257e+01 47.639  8.23852e+00 227.639 0.9089 
1 1 1 8  24 21 o 5  4.93968e+01 2.27657e+01 4.38250e+01 101.974 -5.14883e-01 2.42766e+00  0.00000e+00 0.00000e+00 2.24806e+01 101.974 2.13444e+01 281.974 0.7630 
1 1 1 8  24 22 o 5  4.87085e+01 2.24116e+01 3.67910e+01 205.529 -2.07954e+00 -9.93168e-01 0.00000e+00 0.00000e+00 2.74815e+01 205.529 9.30955e+00 25.529  0.7420 
1 1 1 8  24 23 o 8  7.26411e+01 2.76272e+01 2.71720e+01 174.777 -2.01377e+00 1.84084e-01  0.00000e+00 0.00000e+00 6.44730e+01 174.777 3.73010e+01 174.777 0.7014 
1 1 1 8  24 24 o 7  7.01981e+01 3.09999e+01 3.20614e+01 248.713 -7.54054e-01 -1.93534e+00 0.00000e+00 0.00000e+00 5.86624e+01 248.713 2.66010e+01 248.713 0.7100 
1 1 1 8  24 25 o 2  5.71179e+01 2.52532e+01 4.93550e+01 330.163 3.23986e+00  -1.85829e+00 0.00000e+00 0.00000e+00 4.03775e+01 330.163 8.97750e+00 150.163 0.8525 
1 1 1 8  24 26 o 16 5.98077e+01 2.62669e+01 1.66857e+01 37.648  1.00257e+00  7.73433e-01  0.00000e+00 0.00000e+00 4.27993e+01 37.648  2.61136e+01 37.648  0.5328 
1 1 1 8  25 0  o 4  5.00490e+01 2.90658e+01 1.09838e+02 0.000   1.24244e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.14112e+01 180.000 1.51249e+02 180.000 0.8461 
1 1 1 8  25 1  o 7  5.47783e+01 2.13637e+01 2.76974e+01 64.049  2.96259e-01  6.08737e-01  0.00000e+00 0.00000e+00 6.75449e-01 64.049  2.70219e+01 244.049 0.3205 
1 1 1 8  25 2  o 19 1.89469e+02 1.48830e+01 1.01783e+02 189.973 -9.24211e+00 -1.62516e+00 0.00000e+00 0.00000e+00 1.87846e+02 189.973 8.60635e+01 189.973 0.9451 
1 1 1 8  25 3  o 12 6.49361e+01 2.29537e+01 1.71239e+01 194.655 -4.65971e-01 -1.21858e-01 0.00000e+00 0.00000e+00 7.49396e+00 194.655 9.62990e+00 14.655  0.2341 
1 1 1 8  25 4  o 11 9.07011e+01 2.72935e+01 3.15011e+01 351.849 1.13367e+00  -1.62377e-01 0.00000e+00 0.00000e+00 4.14082e+01 351.849 9.90709e+00 351.849 0.4955 
1 1 1 8  25 5  o 9  8.74906e+01 2.63008e+01 2.42523e+01 289.877 3.52822e-01  -9.75857e-01 0.00000e+00 0.00000e+00 4.11276e+01 289.877 1.68753e+01 289.877 0.4596 
1 1 1 8  25 6  o 2  1.01574e+02 2.59705e+01 2.67027e+01 260.801 -2.12277e-01 -1.31084e+00 0.00000e+00 0.00000e+00 6.44913e+01 260.801 3.77886e+01 260.801 0.5506 
1 1 1 8  25 7  o 19 1.03849e+02 3.06061e+01 2.46138e+01 84.663  1.06469e-01  1.13977e+00  0.00000e+00 0.00000e+00 5.95342e+01 84.663  3.49204e+01 84.663  0.4953 
1 1 1 8  25 8  o 19 8.46579e+01 2.17281e+01 5.71486e+01 42.035  2.14541e+00  1.93408e+00  0.00000e+00 0.00000e+00 5.42562e+01 42.035  2.89239e+00 222.035 0.8014 
1 1 1 8  25 9  o 4  1.29080e+02 1.69201e+01 7.89895e+01 289.893 2.35876e+00  -6.51865e+00 0.00000e+00 0.00000e+00 1.17865e+02 289.893 3.88753e+01 289.893 0.9248 
1 1 1 8  25 10 o 5  6.40931e+01 2.20334e+01 2.92407e+01 191.836 -1.01549e+00 -2.12822e-01 0.00000e+00 0.00000e+00 1.95646e+01 191.836 9.67615e+00 11.836  0.4595 
1 1 1 8  25 11 o 19 9.65521e+01 2.23880e+01 5.16639e+01 225.564 -1.99762e+00 -2.03733e+00 0.00000e+00 0.00000e+00 7.67712e+01 225.564 2.51072e+01 225.564 0.7985 
1 1 1 8  25 12 o 18 5.74303e+01 2.44103e+01 4.01856e+01 271.759 4.58422e-02  -1.49272e+00 0.00000e+00 0.00000e+00 1.70211e+01 271.759 2.31645e+01 91.759  0.5945 
1 1 1 8  25 13 o 9  1.54340e+02 2.28889e+01 1.06694e+02 131.693 -7.85133e+00 8.81418e+00  0.00000e+00 0.00000e+00 1.42263e+02 131.693 3.55690e+01 131.693 0.9567 
1 1 1 8  25 14 o 4  9.55278e+01 2.97135e+01 8.23703e+01 25.832  4.51091e+00  2.18374e+00  0.00000e+00 0.00000e+00 6.25558e+01 25.832  1.98145e+01 205.832 0.8937 
1 1 1 8  25 15 o 14 4.75502e+01 2.24577e+01 1.72957e+01 311.934 4.81354e-01  -5.35837e-01 0.00000e+00 0.00000e+00 1.02415e+01 311.934 7.05423e+00 131.934 0.3386 
1 1 1 8  25 16 o 10 4.75227e+01 2.24632e+01 4.03528e+01 99.161  -2.94652e-01 1.82711e+00  0.00000e+00 0.00000e+00 1.46617e+01 99.161  2.56910e+01 279.161 0.6717 
1 1 1 8  25 17 o 1  6.56018e+01 2.94418e+01 1.22537e+01 352.502 6.30719e-01  -8.30170e-02 0.00000e+00 0.00000e+00 2.22923e+01 352.502 1.00386e+01 352.502 0.3030 
1 1 1 8  25 18 o 12 7.45569e+01 2.60398e+01 3.48866e+01 185.640 -2.40639e+00 -2.37646e-01 0.00000e+00 0.00000e+00 6.39125e+01 185.640 2.90259e+01 185.640 0.7558 
1 1 1 8  25 19 o 7  8.46695e+01 2.64835e+01 4.09897e+01 306.001 1.95097e+00  -2.68517e+00 0.00000e+00 0.00000e+00 8.35421e+01 306.001 4.25525e+01 306.001 0.8311 
1 1 1 8  25 20 o 3  7.28987e+01 2.62606e+01 2.12034e+01 246.930 -6.04103e-01 -1.41834e+00 0.00000e+00 0.00000e+00 5.77856e+01 246.930 3.65822e+01 246.930 0.6063 
1 1 1 8  25 21 o 3  6.52118e+01 2.69260e+01 1.89437e+01 68.201  4.97285e-01  1.24338e+00  0.00000e+00 0.00000e+00 4.62706e+01 68.201  2.73269e+01 68.201  0.5538 
1 1 1 8  25 22 o 15 7.37634e+01 2.71182e+01 3.69184e+01 43.607  2.05727e+00  1.95961e+00  0.00000e+00 0.00000e+00 7.04740e+01 43.607  3.35557e+01 43.607  0.7975 
1 1 1 8  25 23 o 12 4.03524e+01 1.96759e+01 1.72064e+01 215.812 -9.83302e-01 -7.09501e-01 0.00000e+00 0.00000e+00 2.12869e+01 215.812 4.08050e+00 215.812 0.5167 
1 1 1 8  25 24 o 2  5.79182e+01 2.71645e+01 1.19507e+01 270.678 9.57881e-03  -8.09610e-01 0.00000e+00 0.00000e+00 2.86203e+01 270.678 1.66696e+01 270.678 0.3749 
1 1 1 8  25 25 o 10 5.33328e+01 2.57900e+01 1.87831e+01 181.273 -1.33542e+00 -2.96638e-02 0.00000e+00 0.00000e+00 3.69890e+01 181.273 1.82060e+01 181.273 0.5528 
1 1 1 8  26 0  o 10 4.67381e+01 2.81929e+01 2.42044e+01 180.000 -3.54086e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.17920e+00 180.000 2.20252e+01 0.000   0.3400 
1 1 1 8  26 1  o 12 6.95501e+01 2.32050e+01 2.46735e+01 66.583  3.97575e-01  9.17975e-01  0.00000e+00 0.00000e+00 2.69016e+01 66.583  2.22809e+00 66.583  0.4465 
1 1 1 8  26 2  o 12 4.74678e+01 2.05569e+01 4.11504e+01 25.573  1.08648e+00  5.19927e-01  0.00000e+00 0.00000e+00 5.87183e-01 205.573 4.17376e+01 205.573 0.5142 
1 1 1 8  26 3  o 11 6.65048e+01 2.35631e+01 2.99027e+01 314.606 8.04301e-01  -8.15449e-01 0.00000e+00 0.00000e+00 2.49376e+01 314.606 4.96510e+00 134.606 0.4955 
1 1 1 8  26 4  o 6  6.28187e+01 2.53858e+01 6.71840e+01 214.624 -1.91170e+00 -1.31996e+00 0.00000e+00 0.00000e+00 1.07603e+01 214.624 5.64237e+01 34.624  0.7443 
1 1 1 8  26 5  o 19 5.31130e+01 2.36338e+01 2.14796e+01 232.347 -4.12843e-01 -5.35058e-01 0.00000e+00 0.00000e+00 6.91595e+00 232.347 1.45636e+01 52.347  0.3200 
1 1 1 8  26 6  o 2  1.29809e+02 4.75676e+01 1.10411e+02 332.225 4.05839e+00  -2.13746e+00 0.00000e+00 0.00000e+00 8.15950e+01 332.225 2.88164e+01 152.225 0.8828 
1 1 1 8  26 7  o 7  5.01163e+01 2.26905e+01 1.46251e+01 82.335  5.35507e-02  3.97914e-01  0.00000e+00 0.00000e+00 1.95499e+00 82.335  1.26701e+01 262.335 0.1968 
1 1 1 8  26 8  o 8  9.38209e+01 2.58810e+01 1.12063e+02 208.821 -4.89776e+00 -2.69486e+00 0.00000e+00 0.00000e+00 3.12808e+01 208.821 8.07825e+01 28.821  0.9055 
1 1 1 8  26 9  o 3  7.40613e+01 2.16562e+01 4.24462e+01 348.703 2.15820e+00  -4.31125e-01 0.00000e+00 0.00000e+00 4.89382e+01 348.703 6.49192e+00 348.703 0.7281 
1 1 1 8  26 10 o 7  9.93632e+01 2.06485e+01 1.08779e+02 54.673  4.80860e+00  6.78468e+00  0.00000e+00 0.00000e+00 4.98842e+01 54.673  5.88946e+01 234.673 0.9378 
1 1 1 8  26 11 o 16 6.74725e+01 2.27923e+01 8.14683e+01 157.379 -3.82478e+00 1.59374e+00  0.00000e+00 0.00000e+00 1.88780e+01 157.379 6.25903e+01 337.379 0.8688 
1 1 1 8  26 12 o 16 8.13917e+01 2.44276e+01 3.81781e+01 235.146 -1.33836e+00 -1.92180e+00 0.00000e+00 0.00000e+00 6.64524e+01 235.146 2.82743e+01 235.146 0.7466 
1 1 1 8  26 13 o 11 5.91063e+01 2.54424e+01 4.21162e+01 3.651   1.96626e+00  1.25470e-01  0.00000e+00 0.00000e+00 2.88349e+01 3.651   1.32813e+01 183.651 0.6928 
1 1 1 8  26 14 o 11 6.24343e+01 2.69596e+01 5.55534e+01 83.433  3.23149e-01  2.80694e+00  0.00000e+00 0.00000e+00 3.11638e+01 83.433  2.43896e+01 263.433 0.7962 
1 1 1 8  26 15 o 7  6.04262e+01 2.61469e+01 4.21678e+01 300.709 1.17901e+00  -1.98494e+00 0.00000e+00 0.00000e+00 3.66718e+01 300.709 5.49595e+00 120.709 0.7425 
1 1 1 8  26 16 o 17 6.83904e+01 2.84909e+01 2.93657e+01 236.283 -9.34969e-01 -1.40104e+00 0.00000e+00 0.00000e+00 4.79727e+01 236.283 1.86070e+01 236.283 0.6385 
1 1 1 8  26 17 o 3  4.40878e+01 2.14103e+01 2.81446e+01 124.307 -8.18011e-01 1.19885e+00  0.00000e+00 0.00000e+00 1.78258e+01 124.307 1.03189e+01 304.307 0.5839 
1 1 1 8  26 18 o 9  7.79579e+01 2.71152e+01 4.15842e+01 269.817 -9.66386e-03 -3.03396e+00 0.00000e+00 0.00000e+00 7.25301e+01 269.817 3.09459e+01 269.817 0.8125 
1 1 1 8  26 19 o 15 3.88492e+01 1.87238e+01 4.47420e+01 47.243  1.84105e+00  1.99118e+00  0.00000e+00 0.00000e+00 1.08029e+01 47.243  3.39391e+01 227.243 0.7862 
1 1 1 8  26 20 o 18 8.06909e+01 2.91209e+01 2.74047e+01 91.542  -5.63457e-02 2.09259e+00  0.00000e+00 0.00000e+00 7.81850e+01 91.542  5.07803e+01 91.542  0.7125 
1 1 1 8  26 21 o 13 7.33291e+01 2.74583e+01 4.61947e+01 213.216 -2.98437e+00 -1.95410e+00 0.00000e+00 0.00000e+00 6.87224e+01 213.216 2.25277e+01 213.216 0.8445 
1 1 1 8  26 22 o 14 5.44402e+01 2.43218e+01 3.42339e+01 214.959 -1.98822e+00 -1.39005e+00 0.00000e+00 0.00000e+00 4.30412e+01 214.959 8.80728e+00 214.959 0.7567 
1 1 1 8  26 23 o 15 6.20055e+01 2.63816e+01 2.29306e+01 314.005 1.21529e+00  -1.25826e+00 0.00000e+00 0.00000e+00 5.37716e+01 314.005 3.08410e+01 314.005 0.6520 
1 1 1 8  26 24 o 16 5.01410e+01 2.30906e+01 2.68445e+01 32.206  1.80349e+00  1.13600e+00  0.00000e+00 0.00000e+00 4.22947e+01 32.206  1.54502e+01 32.206  0.7182 
1 1 1 8  27 0  o 16 5.86286e+01 3.22116e+01 7.52223e+01 180.000 -1.26744e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.02003e+01 180.000 6.50220e+01 0.000   0.8531 
1 1 1 8  27 1  o 17 1.09176e+02 2.06421e+01 9.24727e+01 187.964 -6.01792e+00 -8.41897e-01 0.00000e+00 0.00000e+00 7.79088e+01 187.964 1.45640e+01 7.964   0.9135 
1 1 1 8  27 2  o 8  8.09263e+01 2.38296e+01 9.34149e+01 5.809   4.21340e+00  4.28618e-01  0.00000e+00 0.00000e+00 2.72283e+01 5.809   6.61866e+01 185.809 0.8720 
1 1 1 8  27 3  o 8  5.00965e+01 2.13774e+01 4.49969e+01 321.316 1.03860e+00  -8.31600e-01 0.00000e+00 0.00000e+00 2.28437e+00 321.316 4.27125e+01 141.316 0.5514 
1 1 1 8  27 4  o 3  7.99021e+01 2.77708e+01 7.69947e+01 229.092 -2.04582e+00 -2.36110e+00 0.00000e+00 0.00000e+00 3.51889e+01 229.092 4.18059e+01 49.092  0.8188 
1 1 1 8  27 5  o 10 9.23969e+01 2.81249e+01 7.66494e+01 158.454 -3.87424e+00 1.52966e+00  0.00000e+00 0.00000e+00 6.14440e+01 158.454 1.52054e+01 338.454 0.8696 
1 1 1 8  27 6  o 12 8.06470e+01 3.00885e+01 2.56677e+01 132.545 -7.74808e-01 8.44211e-01  0.00000e+00 0.00000e+00 4.32303e+01 132.545 1.75626e+01 132.545 0.4957 
1 1 1 8  27 7  o 8  9.26229e+01 2.66782e+01 3.44834e+01 357.373 2.06530e+00  -9.47657e-02 0.00000e+00 0.00000e+00 7.89962e+01 357.373 4.45128e+01 357.373 0.7086 
1 1 1 8  27 8  o 5  4.26560e+01 1.89939e+01 2.68810e+01 18.449  9.17463e-01  3.06077e-01  0.00000e+00 0.00000e+00 5.29842e+00 18.449  2.15826e+01 198.449 0.4346 
1 1 1 8  27 9  o 6  1.15249e+02 2.67414e+01 7.64719e+01 211.054 -5.29728e+00 -3.18972e+00 0.00000e+00 0.00000e+00 1.07372e+02 211.054 3.09005e+01 211.054 0.9151 
1 1 1 8  27 10 o 7  4.51170e+01 1.93960e+01 3.51109e+01 196.540 -1.48786e+00 -4.41847e-01 0.00000e+00 0.00000e+00 1.29942e+01 196.540 2.21167e+01 16.540  0.6087 
1 1 1 8  27 11 o 7  7.33307e+01 2.38622e+01 5.31338e+01 22.318  3.19073e+00  1.30978e+00  0.00000e+00 0.00000e+00 5.51221e+01 22.318  1.98835e+00 22.318  0.8384 
1 1 1 8  27 12 o 9  1.09467e+02 2.27431e+01 7.88423e+01 15.817  7.93571e+00  2.24814e+00  0.00000e+00 0.00000e+00 1.02867e+02 15.817  2.40252e+01 15.817  0.9373 
1 1 1 8  27 13 o 7  5.07308e+01 2.17505e+01 9.23691e+00 256.505 -1.18965e-01 -4.95709e-01 0.00000e+00 0.00000e+00 1.30917e+01 256.505 3.85478e+00 256.505 0.2470 
1 1 1 8  27 14 f 0  5.41602e+01 2.44245e+01 3.05887e+01 205.012 -1.49694e+00 -6.98419e-01 0.00000e+00 0.00000e+00 3.07841e+01 205.012 1.95460e-01 205.012 0.6315 
1 1 1 8  27 15 o 9  5.52990e+01 2.48906e+01 3.65523e+01 117.964 -9.48404e-01 1.78637e+00  0.00000e+00 0.00000e+00 3.35628e+01 117.964 2.98956e+00 297.964 0.7014 
1 1 1 8  27 16 o 8  5.42137e+01 2.49418e+01 2.58314e+01 342.322 1.38034e+00  -4.39932e-01 0.00000e+00 0.00000e+00 3.17696e+01 342.322 5.93819e+00 342.322 0.5832 
1 1 1 8  27 17 o 8  7.01124e+01 2.94124e+01 1.12231e+01 220.511 -5.10233e-01 -4.35953e-01 0.00000e+00 0.00000e+00 2.97321e+01 220.511 1.85090e+01 220.511 0.3180 
1 1 1 8  27 18 o 12 6.73269e+01 2.88105e+01 7.44282e+00 129.429 -3.08810e-01 3.75563e-01  0.00000e+00 0.00000e+00 2.20294e+01 129.429 1.45866e+01 129.429 0.2362 
1 1 1 8  27 19 o 7  4.24278e+01 2.02673e+01 5.53675e+00 241.432 -1.69180e-01 -3.10711e-01 0.00000e+00 0.00000e+00 8.28777e+00 241.432 2.75101e+00 241.432 0.1742 
1 1 1 8  27 20 f 0  6.20719e+01 2.64073e+01 1.68196e+01 40.807  9.18792e-01  7.93289e-01  0.00000e+00 0.00000e+00 4.38128e+01 40.807  2.69932e+01 40.807  0.5171 
1 1 1 8  27 21 o 10 5.24322e+01 2.33886e+01 1.08473e+01 33.855  6.94843e-01  4.66123e-01  0.00000e+00 0.00000e+00 2.77402e+01 33.855  1.68929e+01 33.855  0.3856 
1 1 1 8  27 22 o 11 6.19338e+01 2.59074e+01 1.22472e+01 124.936 -5.43773e-01 7.78444e-01  0.00000e+00 0.00000e+00 3.89300e+01 124.936 2.66829e+01 124.936 0.4282 
1 1 1 8  27 23 o 5  5.56575e+01 2.50403e+01 2.06667e+01 159.691 -1.47861e+00 5.47226e-01  0.00000e+00 0.00000e+00 4.60835e+01 159.691 2.54168e+01 159.691 0.6145 
1 1 1 8  28 0  o 17 2.94346e+01 2.05393e+01 2.18641e+01 180.000 -3.07597e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.42452e+00 0.000   2.82886e+01 0.000   0.2982 
1 1 1 8  28 1  o 11 4.37205e+01 1.94767e+01 2.17443e+01 274.360 6.04960e-02  -7.93430e-01 0.00000e+00 0.00000e+00 6.66474e+00 274.360 1.50796e+01 94.360  0.3694 
1 1 1 8  28 2  o 13 5.65514e+01 2.25718e+01 3.08429e+01 154.831 -1.20431e+00 5.65915e-01  0.00000e+00 0.00000e+00 2.40535e+01 154.831 6.78938e+00 334.831 0.5514 
1 1 1 8  28 3  o 16 3.66398e+01 1.75711e+01 2.26621e+01 116.426 -3.25143e-01 6.54242e-01  0.00000e+00 0.00000e+00 5.15272e-01 296.426 2.31773e+01 296.426 0.3429 
1 1 1 8  28 4  o 17 9.72950e+01 2.75875e+01 1.02451e+02 0.765   6.81391e+00  9.09765e-02  0.00000e+00 0.00000e+00 5.61960e+01 0.765   4.62546e+01 180.765 0.9234 
1 1 1 8  28 5  o 6  4.28253e+01 2.02522e+01 4.78604e+01 248.023 -6.62873e-01 -1.64258e+00 0.00000e+00 0.00000e+00 1.89145e+00 248.023 4.59690e+01 68.023  0.6564 
1 1 1 8  28 6  o 16 6.99585e+01 2.86773e+01 7.23230e+01 188.517 -3.54485e+00 -5.30826e-01 0.00000e+00 0.00000e+00 3.26407e+01 188.517 3.96823e+01 8.517   0.8454 
1 1 1 8  28 7  o 9  6.28747e+01 2.53237e+01 4.25585e+01 69.918  7.31036e-01  1.99960e+00  0.00000e+00 0.00000e+00 3.78097e+01 69.918  4.74878e+00 249.918 0.7179 
1 1 1 8  28 8  o 2  6.81955e+01 2.36880e+01 5.15297e+01 60.099  1.55957e+00  2.71204e+00  0.00000e+00 0.00000e+00 4.83034e+01 60.099  3.22628e+00 240.099 0.8191 
1 1 1 8  28 9  o 13 6.43872e+01 2.33663e+01 5.02822e+01 74.984  7.83452e-01  2.92057e+00  0.00000e+00 0.00000e+00 4.35346e+01 74.984  6.74765e+00 254.984 0.8117 
1 1 1 8  28 10 o 13 6.91702e+01 2.30377e+01 5.60674e+01 184.099 -3.99412e+00 -2.86232e-01 0.00000e+00 0.00000e+00 5.16849e+01 184.099 4.38249e+00 4.099   0.8637 
1 1 1 8  28 11 o 6  1.00964e+02 2.17380e+01 7.39612e+01 272.188 3.28344e-01  -8.59511e+00 0.00000e+00 0.00000e+00 9.81117e+01 272.188 2.41505e+01 272.188 0.9399 
1 1 1 8  28 12 o 1  7.59798e+01 2.43515e+01 5.09545e+01 355.411 3.84250e+00  -3.08441e-01 0.00000e+00 0.00000e+00 6.78964e+01 355.411 1.69419e+01 355.411 0.8577 
1 1 1 8  28 13 o 14 5.49095e+01 2.25719e+01 1.75736e+01 140.419 -8.49877e-01 7.02612e-01  0.00000e+00 0.00000e+00 3.09597e+01 140.419 1.33861e+01 140.419 0.4816 
1 1 1 8  28 14 o 17 6.77914e+01 2.49246e+01 1.07915e+01 238.175 -3.98060e-01 -6.41391e-01 0.00000e+00 0.00000e+00 3.34125e+01 238.175 2.26210e+01 238.175 0.3529 
1 1 1 8  28 15 o 16 5.33004e+01 2.43325e+01 1.51279e+01 217.279 -6.94467e-01 -5.28632e-01 0.00000e+00 0.00000e+00 2.45079e+01 217.279 9.38006e+00 217.279 0.3995 
1 1 1 8  28 16 o 18 4.75250e+01 2.25847e+01 1.70874e+01 103.310 -2.54015e-01 1.07370e+00  0.00000e+00 0.00000e+00 2.58694e+01 103.310 8.78199e+00 103.310 0.4818 
1 1 1 8  28 17 o 12 4.63389e+01 2.23759e+01 2.39772e+01 340.301 1.39679e+00  -5.00094e-01 0.00000e+00 0.00000e+00 2.79216e+01 340.301 3.94437e+00 340.301 0.5921 
1 1 1 8  28 18 o 18 6.93411e+01 2.94610e+01 1.63374e+01 350.985 1.04335e+00  -1.65533e-01 0.00000e+00 0.00000e+00 4.53327e+01 350.985 2.89953e+01 350.985 0.4660 
1 1 1 8  28 19 f 0  4.86815e+01 2.35667e+01 3.98460e+01 118.004 -1.22599e+00 2.30532e+00  0.00000e+00 0.00000e+00 3.29772e+01 118.004 6.86880e+00 298.004 0.7766 
1 1 1 8  28 20 o 11 8.87906e+01 3.02902e+01 3.20572e+01 204.774 -2.45666e+00 -1.13378e+00 0.00000e+00 0.00000e+00 1.03646e+02 204.774 7.15892e+01 204.774 0.7856 
1 1 1 8  28 21 o 17 3.97852e+01 2.00754e+01 3.15384e+01 295.547 1.01466e+00  -2.12275e+00 0.00000e+00 0.00000e+00 2.69556e+01 295.547 4.58284e+00 115.547 0.7480 
1 1 1 8  29 0  o 15 5.62884e+01 3.16897e+01 2.21024e+00 0.000   5.81966e-02  0.00000e+00  0.00000e+00 0.00000e+00 3.72205e+00 0.000   1.51181e+00 0.000   0.0581 
1 1 1 8  29 1  o 6  4.72897e+01 2.06395e+01 3.20673e+01 2.536   1.51460e+00  6.70757e-02  0.00000e+00 0.00000e+00 1.93945e+01 2.536   1.26727e+01 182.536 0.6001 
1 1 1 8  29 2  o 10 4.28311e+01 1.94784e+01 2.32452e+01 248.870 -3.74223e-01 -9.68296e-01 0.00000e+00 0.00000e+00 1.24897e+01 248.870 1.07556e+01 68.870  0.4597 
1 1 1 8  29 3  o 9  7.87104e+01 2.48061e+01 5.80961e+01 242.334 -1.87866e+00 -3.58353e+00 0.00000e+00 0.00000e+00 6.56599e+01 242.334 7.56372e+00 242.334 0.8653 
1 1 1 8  29 4  o 7  5.48412e+01 2.37639e+01 3.91584e+01 124.372 -1.11555e+00 1.63091e+00  0.00000e+00 0.00000e+00 3.01010e+01 124.372 9.05744e+00 304.372 0.6938 
1 1 1 8  29 5  o 1  5.39226e+01 2.45477e+01 1.79938e+01 24.987  8.53083e-01  3.97554e-01  0.00000e+00 0.00000e+00 2.38328e+01 24.987  5.83896e+00 24.987  0.4252 
1 1 1 8  29 6  o 11 7.58385e+01 2.69601e+01 4.62550e+01 345.806 2.96144e+00  -7.49029e-01 0.00000e+00 0.00000e+00 6.66791e+01 345.806 2.04242e+01 345.806 0.8139 
1 1 1 8  29 7  o 19 4.92765e+01 2.25024e+01 2.74215e+01 130.820 -9.84362e-01 1.13961e+00  0.00000e+00 0.00000e+00 2.66291e+01 130.820 7.92348e-01 310.819 0.5976 
1 1 1 8  29 8  o 12 8.13033e+01 2.40325e+01 2.82753e+01 230.117 -1.49400e+00 -1.78787e+00 0.00000e+00 0.00000e+00 8.33499e+01 230.117 5.50746e+01 230.117 0.7452 
1 1 1 8  29 9  o 6  8.21864e+01 2.87881e+01 6.13847e+01 352.934 4.08890e+00  -5.06797e-01 0.00000e+00 0.00000e+00 7.06175e+01 352.934 9.23274e+00 352.934 0.8680 
1 1 1 8  29 10 f 0  6.96112e+01 2.34299e+01 4.27877e+01 17.643  3.02386e+00  9.61736e-01  0.00000e+00 0.00000e+00 6.36032e+01 17.643  2.08155e+01 17.643  0.8220 
1 1 1 8  29 11 o 1  7.87745e+01 2.38912e+01 5.12847e+01 155.025 -3.90390e+00 1.81832e+00  0.00000e+00 0.00000e+00 7.74577e+01 155.025 2.61730e+01 155.025 0.8744 
1 1 1 8  29 12 o 17 4.43122e+01 2.00457e+01 4.13739e+01 177.094 -2.46290e+00 1.25025e-01  0.00000e+00 0.00000e+00 2.20452e+01 177.094 1.93286e+01 357.094 0.7613 
1 1 1 8  29 13 o 12 7.05518e+01 2.45261e+01 2.75297e+01 240.329 -1.09462e+00 -1.92131e+00 0.00000e+00 0.00000e+00 6.98547e+01 240.329 4.23249e+01 240.329 0.7296 
1 1 1 8  29 14 o 16 4.38253e+01 2.01775e+01 5.75819e+00 12.620  3.83412e-01  8.58464e-02  0.00000e+00 0.00000e+00 1.03333e+01 12.620  4.57510e+00 12.620  0.1928 
1 1 1 8  29 15 f 0  5.26863e+01 2.41609e+01 6.38545e+00 146.061 -3.35569e-01 2.25821e-01  0.00000e+00 0.00000e+00 1.36531e+01 146.061 7.26762e+00 146.061 0.1982 
1 1 1 8  29 16 o 15 4.67659e+01 2.24637e+01 1.65120e+01 74.800  2.77888e-01  1.02282e+00  0.00000e+00 0.00000e+00 2.57427e+01 74.800  9.23062e+00 74.800  0.4672 
1 1 1 8  29 17 o 8  4.89755e+01 2.33003e+01 8.62121e+00 345.982 5.58044e-01  -1.39320e-01 0.00000e+00 0.00000e+00 1.77681e+01 345.982 9.14692e+00 345.982 0.2763 
1 1 1 8  29 18 o 13 4.20222e+01 2.07484e+01 2.48687e+01 348.621 1.76514e+00  -3.55239e-01 0.00000e+00 0.00000e+00 2.98721e+01 348.621 5.00345e+00 348.621 0.6621 
1 1 1 8  29 19 o 19 5.09535e+01 2.51796e+01 9.24720e+00 73.936  1.70572e-01  5.92375e-01  0.00000e+00 0.00000e+00 2.05462e+01 73.936  1.12989e+01 73.936  0.2945 
1 1 1 8  29 20 o 7  4.76717e+01 2.32890e+01 4.84160e+00 222.600 -2.58043e-01 -2.37286e-01 0.00000e+00 0.00000e+00 1.16631e+01 222.600 6.82146e+00 222.600 0.1726 
1 1 1 8  30 0  o 4  4.17261e+01 2.72048e+01 1.25799e+01 180.000 -3.30122e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.22945e+01 180.000 2.85418e-01 0.000   0.3186 
1 1 1 8  30 1  o 17 8.85052e+01 2.51245e+01 7.80513e+01 355.256 6.62149e+00  -5.49465e-01 0.00000e+00 0.00000e+00 7.45475e+01 355.256 3.50382e+00 175.256 0.9213 
1 1 1 8  30 2  o 8  5.09651e+01 2.21257e+01 3.49367e+01 247.173 -7.60749e-01 -1.80740e+00 0.00000e+00 0.00000e+00 3.10431e+01 247.173 3.89365e+00 67.173  0.6913 
1 1 1 8  30 3  o 16 8.64376e+01 2.50955e+01 3.60806e+01 148.969 -2.56728e+00 1.54446e+00  0.00000e+00 0.00000e+00 9.51592e+01 148.969 5.90786e+01 148.969 0.8097 
1 1 1 8  30 4  o 13 4.73567e+01 2.18709e+01 3.07092e+01 161.304 -1.58537e+00 5.36498e-01  0.00000e+00 0.00000e+00 2.58893e+01 161.304 4.81992e+00 341.304 0.6362 
1 1 1 8  30 5  o 11 4.70975e+01 2.23410e+01 3.24822e+01 211.140 -1.46964e+00 -8.87928e-01 0.00000e+00 0.00000e+00 2.47469e+01 211.140 7.73532e+00 31.140  0.6454 
1 1 1 8  30 6  o 1  4.24192e+01 2.02164e+01 5.98040e+01 15.358  3.12759e+00  8.59025e-01  0.00000e+00 0.00000e+00 6.38670e+00 15.358  5.34173e+01 195.358 0.8265 
1 1 1 8  30 7  o 11 4.39745e+01 2.09230e+01 2.72021e+01 341.373 1.39445e+00  -4.70022e-01 0.00000e+00 0.00000e+00 2.18607e+01 341.373 5.34138e+00 161.373 0.5890 
1 1 1 8  30 8  o 6  5.06588e+01 2.33348e+01 3.73572e+01 218.975 -1.63094e+00 -1.31953e+00 0.00000e+00 0.00000e+00 3.13400e+01 218.975 6.01715e+00 38.975  0.7132 
1 1 1 8  30 9  o 4  5.89503e+01 2.28013e+01 3.14290e+01 269.468 -2.00494e-02 -2.16046e+00 0.00000e+00 0.00000e+00 4.98960e+01 269.468 1.84670e+01 269.468 0.7225 
1 1 1 8  30 10 o 3  5.95299e+01 2.30331e+01 9.18940e+00 332.765 5.97694e-01  -3.07635e-01 0.00000e+00 0.00000e+00 2.71842e+01 332.765 1.79948e+01 332.765 0.3185 
1 1 1 8  30 11 o 10 4.75250e+01 2.08139e+01 2.28735e+01 65.068  6.85848e-01  1.47540e+00  0.00000e+00 0.00000e+00 3.45124e+01 65.068  1.16389e+01 65.068  0.6260 
1 1 1 8  30 12 o 6  4.11860e+01 1.90263e+01 3.38721e+01 87.882  8.39390e-02  2.26947e+00  0.00000e+00 0.00000e+00 2.50680e+01 87.882  8.80407e+00 267.882 0.7376 
1 1 1 8  30 13 o 9  5.52092e+01 2.27947e+01 2.75805e+01 137.368 -1.44354e+00 1.32888e+00  0.00000e+00 0.00000e+00 4.69503e+01 137.368 1.93698e+01 137.368 0.6914 
1 1 1 8  30 14 o 2  5.23215e+01 2.26351e+01 1.36277e+01 110.293 -3.55114e-01 9.60381e-01  0.00000e+00 0.00000e+00 3.31490e+01 110.293 1.95213e+01 110.293 0.4548 
1 1 1 8  30 15 o 7  4.18838e+01 1.96994e+01 1.22208e+01 7.975   8.64616e-01  1.21127e-01  0.00000e+00 0.00000e+00 2.09213e+01 7.975   8.70044e+00 7.975   0.3996 
1 1 1 8  30 16 o 4  4.09499e+01 2.02106e+01 1.71069e+01 353.277 1.23727e+00  -1.45855e-01 0.00000e+00 0.00000e+00 2.59409e+01 353.277 8.83395e+00 353.277 0.5267 
1 1 1 8  30 17 o 15 3.84476e+01 1.92485e+01 1.72630e+01 270.126 2.88869e-03  -1.31277e+00 0.00000e+00 0.00000e+00 2.50071e+01 270.126 7.74417e+00 270.126 0.5463 
1 1 1 8  30 18 o 13 4.75151e+01 2.30333e+01 1.29066e+01 188.786 -9.29444e-01 -1.43647e-01 0.00000e+00 0.00000e+00 2.80819e+01 188.786 1.51753e+01 188.786 0.4249 
1 1 1 8  31 0  o 5  4.04373e+01 2.68160e+01 3.28406e+00 0.000   9.13207e-02  0.00000e+00  0.00000e+00 0.00000e+00 3.83345e+00 0.000   5.49383e-01 0.000   0.0911 
1 1 1 8  31 1  o 11 4.00115e+01 1.89432e+01 1.35556e+01 170.067 -7.35228e-01 1.28753e-01  0.00000e+00 0.00000e+00 1.34730e+01 170.067 8.25908e-02 350.067 0.3494 
1 1 1 8  31 2  o 12 5.18037e+01 2.24385e+01 5.24482e+00 33.829  2.68040e-01  1.79636e-01  0.00000e+00 0.00000e+00 1.07182e+01 33.829  5.47335e+00 33.829  0.1593 
1 1 1 8  31 3  o 2  3.80378e+01 1.83553e+01 2.92106e+01 228.190 -1.08619e+00 -1.21440e+00 0.00000e+00 0.00000e+00 1.69539e+01 228.190 1.22567e+01 48.190  0.6265 
1 1 1 8  31 4  o 15 4.63091e+01 2.17153e+01 4.64708e+01 55.579  1.49435e+00  2.18070e+00  0.00000e+00 0.00000e+00 2.36033e+01 55.579  2.28675e+01 235.579 0.7798 
1 1 1 8  31 5  o 11 6.17738e+01 2.77824e+01 2.73405e+01 12.781  1.56791e+00  3.55665e-01  0.00000e+00 0.00000e+00 4.73521e+01 12.781  2.00116e+01 12.781  0.6217 
1 1 1 8  31 6  o 12 4.16304e+01 1.99149e+01 4.01931e+01 202.071 -2.25460e+00 -9.14174e-01 0.00000e+00 0.00000e+00 2.13124e+01 202.071 1.88806e+01 22.071  0.7575 
1 1 1 8  31 7  f 0  4.93250e+01 2.28166e+01 2.40776e+01 228.302 -1.04520e+00 -1.17320e+00 0.00000e+00 0.00000e+00 3.51138e+01 228.302 1.10362e+01 228.302 0.6133 
1 1 1 8  31 8  o 5  4.91157e+01 2.27979e+01 1.41968e+01 232.570 -5.51188e-01 -7.20150e-01 0.00000e+00 0.00000e+00 2.55912e+01 232.570 1.13945e+01 232.570 0.4124 
1 1 1 8  31 9  o 13 4.69359e+01 2.06846e+01 3.76733e+01 84.764  2.36652e-01  2.58239e+00  0.00000e+00 0.00000e+00 3.40612e+01 84.764  3.61202e+00 264.764 0.7748 
1 1 1 8  31 10 o 6  3.98574e+01 1.85265e+01 2.89140e+01 156.639 -1.74824e+00 7.55110e-01  0.00000e+00 0.00000e+00 2.49203e+01 156.639 3.99367e+00 336.639 0.6814 
1 1 1 8  31 11 o 2  4.42269e+01 2.00155e+01 3.34514e+01 298.838 1.21186e+00  -2.20091e+00 0.00000e+00 0.00000e+00 3.40864e+01 298.838 6.34992e-01 298.838 0.7663 
1 1 1 8  31 12 o 11 6.08286e+01 2.38949e+01 3.56853e+01 347.624 2.75120e+00  -6.03689e-01 0.00000e+00 0.00000e+00 6.12938e+01 347.624 2.56085e+01 347.624 0.7955 
1 1 1 8  31 13 o 4  4.52779e+01 2.03304e+01 1.26987e+01 98.308  -1.46863e-01 1.00579e+00  0.00000e+00 0.00000e+00 2.85963e+01 98.308  1.58976e+01 98.308  0.4522 
1 1 1 8  31 14 o 3  4.14920e+01 1.93657e+01 1.44078e+01 13.046  1.09132e+00  2.52873e-01  0.00000e+00 0.00000e+00 2.66574e+01 13.046  1.22495e+01 13.046  0.4874 
1 1 1 8  31 15 o 11 4.47269e+01 2.06071e+01 1.44636e+01 32.208  9.68130e-01  6.09845e-01  0.00000e+00 0.00000e+00 3.08400e+01 32.208  1.63764e+01 32.208  0.4952 
1 1 1 8  31 16 o 6  4.15825e+01 1.98081e+01 1.08060e+01 144.352 -7.07123e-01 5.07154e-01  0.00000e+00 0.00000e+00 2.33579e+01 144.352 1.25519e+01 144.352 0.3985 
1 1 1 8  32 0  o 19 4.59681e+01 2.98998e+01 7.08374e+01 0.000   2.31940e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.92836e+01 0.000   5.15539e+01 180.000 0.9808 
1 1 1 8  32 1  o 5  8.00270e+01 2.68457e+01 5.20623e+01 183.537 -4.26180e+00 -2.63453e-01 0.00000e+00 0.00000e+00 8.76406e+01 183.537 3.55782e+01 183.537 0.8732 
1 1 1 8  32 2  o 3  9.26650e+01 2.80509e+01 7.17715e+01 154.000 -5.73266e+00 2.79597e+00  0.00000e+00 0.00000e+00 9.84050e+01 154.000 2.66335e+01 154.000 0.9179 
1 1 1 8  32 3  o 3  1.01292e+02 2.53923e+01 4.63374e+01 352.412 5.13908e+00  -6.84575e-01 0.00000e+00 0.00000e+00 1.35783e+02 352.412 8.94454e+01 352.412 0.8975 
1 1 1 8  32 4  f 0  6.30189e+01 2.83796e+01 1.58485e+01 316.085 6.73526e-01  -6.48487e-01 0.00000e+00 0.00000e+00 3.76330e+01 316.085 2.17845e+01 316.085 0.4229 
1 1 1 8  32 5  o 12 6.76900e+01 2.95625e+01 3.08034e+01 341.791 1.73785e+00  -5.71694e-01 0.00000e+00 0.00000e+00 6.01047e+01 341.791 2.93013e+01 341.791 0.6677 
1 1 1 8  32 6  o 10 4.47818e+01 2.13119e+01 4.67154e+00 238.670 -1.58199e-01 -2.59884e-01 0.00000e+00 0.00000e+00 8.91263e+00 238.670 4.24109e+00 238.670 0.1504 
1 1 1 8  32 7  o 13 5.75948e+01 2.54914e+01 4.94402e+01 146.885 -2.82468e+00 1.84246e+00  0.00000e+00 0.00000e+00 4.77818e+01 146.885 1.65832e+00 326.885 0.8342 
1 1 1 8  32 8  o 6  4.21638e+01 2.05395e+01 1.05461e+01 343.084 6.90454e-01  -2.09982e-01 0.00000e+00 0.00000e+00 1.85073e+01 343.084 7.96116e+00 343.084 0.3392 
1 1 1 8  32 9  o 13 3.84342e+01 1.81792e+01 2.22930e+01 60.635  7.88118e-01  1.40070e+00  0.00000e+00 0.00000e+00 2.64403e+01 60.635  4.14729e+00 60.635  0.6215 
1 1 1 8  32 10 o 15 5.88227e+01 2.32391e+01 9.49915e+00 210.317 -6.88839e-01 -4.02793e-01 0.00000e+00 0.00000e+00 3.51461e+01 210.317 2.56469e+01 210.317 0.3703 
1 1 1 8  32 11 o 9  6.50560e+01 2.43201e+01 1.75900e+01 324.978 1.23328e+00  -8.64267e-01 0.00000e+00 0.00000e+00 6.25266e+01 324.978 4.49366e+01 324.978 0.5976 
1 1 1 8  32 12 o 5  4.70837e+01 2.08879e+01 1.11308e+01 113.026 -3.45721e-01 8.13432e-01  0.00000e+00 0.00000e+00 2.82692e+01 113.026 1.71384e+01 113.026 0.4037 
1 1 1 8  32 13 o 15 4.47777e+01 2.03336e+01 2.47816e+01 218.382 -1.60779e+00 -1.27349e+00 0.00000e+00 0.00000e+00 4.11557e+01 218.382 1.63741e+01 218.382 0.7060 
1 1 1 8  32 14 o 12 3.84734e+01 1.82078e+01 1.99848e+01 351.506 1.66082e+00  -2.48033e-01 0.00000e+00 0.00000e+00 3.15168e+01 351.506 1.15320e+01 351.506 0.6374 
1 1 1 8  33 0  o 4  3.86790e+01 2.63608e+01 3.37550e+01 0.000   1.18243e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.25336e+01 0.000   1.22134e+00 180.000 0.8282 
1 1 1 8  33 1  o 8  5.23096e+01 2.28769e+01 2.50758e+01 320.819 1.38473e+00  -1.12859e+00 0.00000e+00 0.00000e+00 4.63161e+01 320.819 2.12403e+01 320.819 0.6594 
1 1 1 8  33 2  o 17 3.87349e+01 1.86914e+01 1.96251e+01 169.753 -1.34866e+00 2.43810e-01  0.00000e+00 0.00000e+00 2.55033e+01 169.753 5.87826e+00 169.753 0.5625 
1 1 1 8  33 3  o 18 3.99571e+01 1.92003e+01 3.48568e+01 52.166  1.48471e+00  1.91176e+00  0.00000e+00 0.00000e+00 2.77992e+01 52.166  7.05754e+00 232.166 0.7561 
1 1 1 8  33 4  o 2  5.47133e+01 2.60500e+01 2.28043e+01 258.134 -3.02178e-01 -1.43819e+00 0.00000e+00 0.00000e+00 4.40961e+01 258.134 2.12918e+01 258.134 0.5885 
1 1 1 8  33 5  o 7  5.52298e+01 2.49232e+01 3.50854e+01 198.468 -2.32309e+00 -7.75833e-01 0.00000e+00 0.00000e+00 5.22473e+01 198.468 1.71619e+01 198.468 0.7594 
1 1 1 8  33 6  o 6  4.45337e+01 2.14328e+01 1.65066e+01 111.014 -4.20228e-01 1.09393e+00  0.00000e+00 0.00000e+00 3.03602e+01 111.014 1.38535e+01 111.014 0.5040 
1 1 1 8  33 7  o 19 4.18276e+01 2.04800e+01 1.47885e+01 357.660 1.05191e+00  -4.29883e-02 0.00000e+00 0.00000e+00 2.59398e+01 357.660 1.11513e+01 357.660 0.4648 
1 1 1 8  33 8  o 19 4.48420e+01 2.14675e+01 2.82688e+01 359.484 2.03474e+00  -1.83364e-02 0.00000e+00 0.00000e+00 3.80632e+01 359.484 9.79443e+00 359.484 0.7034 
1 1 1 8  33 9  o 4  4.96575e+01 2.16559e+01 9.01973e+00 54.413  4.18790e-01  5.85236e-01  0.00000e+00 0.00000e+00 2.64675e+01 54.413  1.74478e+01 54.413  0.3384 
1 1 1 8  33 10 o 14 4.28564e+01 1.96375e+01 8.53985e+00 294.956 2.98428e-01  -6.41254e-01 0.00000e+00 0.00000e+00 2.17664e+01 294.956 1.32265e+01 294.956 0.3332 
1 1 1 8  33 11 o 5  3.99175e+01 1.87970e+01 1.48457e+00 2.704   1.22067e-01  5.76484e-03  0.00000e+00 0.00000e+00 3.70914e+00 2.704   2.22457e+00 2.704   0.0610 
1 1 1 8  34 0  o 17 5.16245e+01 3.18839e+01 3.76196e+01 180.000 -1.44931e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.15278e+01 180.000 2.39081e+01 180.000 0.8956 
1 1 1 8  34 1  o 7  4.77781e+01 2.16794e+01 4.69445e+00 38.806  2.77831e-01  2.23431e-01  0.00000e+00 0.00000e+00 1.32911e+01 38.806  8.59661e+00 38.806  0.1755 
1 1 1 8  34 2  o 15 5.41557e+01 2.34487e+01 3.18467e+01 302.751 1.30444e+00  -2.02789e+00 0.00000e+00 0.00000e+00 5.59243e+01 302.751 2.40776e+01 302.751 0.7550 
1 1 1 8  34 3  o 1  4.14191e+01 1.97688e+01 5.22278e+00 329.188 3.40730e-01  -2.03216e-01 0.00000e+00 0.00000e+00 1.20983e+01 329.188 6.87554e+00 329.188 0.1946 
1 1 1 8  34 4  o 3  4.65914e+01 2.31316e+01 1.56533e+01 71.739  3.34893e-01  1.01492e+00  0.00000e+00 0.00000e+00 3.15194e+01 71.739  1.58661e+01 71.739  0.4702 
1 1 1 8  34 5  o 13 4.88229e+01 2.30377e+01 1.46147e+01 79.807  1.85884e-01  1.03387e+00  0.00000e+00 0.00000e+00 3.42723e+01 79.807  1.96576e+01 79.807  0.4640 
1 1 1 8  34 6  o 4  4.41619e+01 2.13361e+01 2.21421e+01 179.032 -1.63310e+00 2.75799e-02  0.00000e+00 0.00000e+00 3.78192e+01 179.032 1.56771e+01 179.032 0.6274 
1 1 1 8  34 7  o 10 6.04292e+01 2.68291e+01 1.49049e+01 319.402 7.70280e-01  -6.60158e-01 0.00000e+00 0.00000e+00 4.43326e+01 319.402 2.94277e+01 319.402 0.4515 
1 1 1 9  0  2  o 3  5.01654e+02 2.70536e+01 1.70528e+01 180.000 -3.16543e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.53266e+02 180.000 1.36214e+02 180.000 0.3064 
1 1 1 9  0  3  o 15 7.35380e+02 3.45577e+01 5.40581e+02 90.000  8.80058e-16  1.43724e+01  0.00000e+00 0.00000e+00 2.75366e+02 90.000  2.65215e+02 270.000 1.0000 
1 1 1 9  0  4  o 17 3.13866e+02 2.22026e+01 5.85178e+01 0.000   6.84431e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.48846e+02 0.000   9.03286e+01 0.000   0.5944 
1 1 1 9  0  5  o 11 1.96154e+01 1.31841e+01 1.28899e+02 270.000 -5.67007e-18 -9.25992e-02 0.00000e+00 0.00000e+00 1.26881e+02 90.000  2.55780e+02 90.000  0.0923 
1 1 1 9  0  6  o 13 3.25485e+02 1.57947e+01 1.75133e+02 180.000 -2.73278e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.85415e+02 180.000 1.02816e+01 180.000 0.9916 
1 1 1 9  0  7  o 8  8.02437e+02 2.59967e+01 3.86087e+02 90.000  8.71122e-16  1.42265e+01  0.00000e+00 0.00000e+00 5.13290e+02 90.000  1.27203e+02 90.000  1.0000 
1 1 1 9  0  8  o 4  8.27709e+01 2.08072e+01 2.42620e+01 180.000 -8.44048e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.64207e+01 0.000   4.06828e+01 0.000   0.0842 
1 1 1 9  0  9  f 0  1.01150e+03 3.15296e+01 5.04294e+02 270.000 -1.60326e-15 -2.61832e+01 0.00000e+00 0.00000e+00 6.38585e+02 270.000 1.34291e+02 270.000 1.0000 
1 1 1 9  0  10 o 14 1.65677e+02 1.59349e+01 2.06043e+02 0.000   2.08443e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.36779e+01 180.000 2.29721e+02 180.000 0.9695 
1 1 1 9  0  11 f 0  7.88803e+02 2.60018e+01 4.62845e+02 90.000  1.46482e-15  2.39223e+01  0.00000e+00 0.00000e+00 4.37450e+02 90.000  2.53954e+01 270.000 1.0000 
1 1 1 9  0  12 o 12 4.86350e+01 2.52775e+01 3.10269e+02 180.000 -7.88785e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.73547e+02 0.000   5.83816e+02 0.000   0.6577 
1 1 1 9  0  13 o 1  1.22152e+02 3.56181e+01 2.02646e+02 270.000 -9.47799e-17 -1.54787e+00 0.00000e+00 0.00000e+00 7.37466e+01 90.000  2.76392e+02 90.000  0.9134 
1 1 1 9  0  14 o 18 5.51768e+01 3.33977e+01 3.21162e+01 0.000   1.31745e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.37097e+01 180.000 5.58259e+01 180.000 0.1310 
1 1 1 9  0  15 o 18 1.54415e+02 2.15706e+01 5.30776e+01 90.000  4.09961e-17  6.69517e-01  0.00000e+00 0.00000e+00 5.27015e+01 90.000  3.76115e-01 270.000 0.5847 
1 1 1 9  0  16 o 10 9.22821e+01 3.24937e+01 5.20379e+01 0.000   4.00548e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.05827e+01 180.000 6.26206e+01 180.000 0.3804 
1 1 1 9  0  17 o 6  1.39234e+02 3.44976e+01 1.66884e+02 90.000  1.27212e-16  2.07754e+00  0.00000e+00 0.00000e+00 6.21393e+00 270.000 1.73098e+02 270.000 0.9691 
1 1 1 9  0  18 o 15 4.53605e+01 2.84185e+01 1.95771e+00 0.000   7.71348e-03  0.00000e+00  0.00000e+00 0.00000e+00 1.53740e+00 180.000 3.49511e+00 180.000 0.0077 
1 1 1 9  0  19 o 19 3.46918e+01 2.39939e+01 1.28971e+01 90.000  1.89256e-18  3.09078e-02  0.00000e+00 0.00000e+00 1.15974e+01 270.000 2.44945e+01 270.000 0.0309 
1 1 1 9  0  20 o 14 4.59198e+02 2.19438e+01 1.61753e+02 180.000 -6.79293e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.00550e+02 180.000 2.38797e+02 180.000 1.0000 
1 1 1 9  0  21 o 15 2.33031e+02 2.41690e+01 7.16867e+01 90.000  8.72668e-17  1.42518e+00  0.00000e+00 0.00000e+00 1.85113e+02 90.000  1.13426e+02 90.000  0.8907 
1 1 1 9  0  22 o 12 1.84077e+02 3.10983e+01 6.63260e+01 0.000   1.40619e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.37819e+02 0.000   7.14933e+01 0.000   0.8867 
1 1 1 9  0  23 o 11 5.03511e+01 3.28600e+01 7.09867e+00 270.000 -3.09713e-18 -5.05801e-02 0.00000e+00 0.00000e+00 3.87970e+00 90.000  1.09784e+01 90.000  0.0505 
1 1 1 9  0  24 o 16 1.22220e+02 4.57606e+01 3.95339e+01 180.000 -6.41969e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.90572e+01 180.000 9.52332e+00 180.000 0.5662 
1 1 1 9  0  25 f 0  7.55677e+01 4.21094e+01 5.26262e+01 270.000 -4.44451e-17 -7.25844e-01 0.00000e+00 0.00000e+00 8.14566e+00 270.000 4.44805e+01 90.000  0.6205 
1 1 1 9  0  26 o 8  1.05218e+02 4.68095e+01 9.58214e+00 0.000   1.64672e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.29607e+01 0.000   3.37859e+00 0.000   0.1632 
1 1 1 9  0  27 o 3  5.85961e+01 3.70709e+01 6.13405e+00 270.000 -5.35134e-18 -8.73940e-02 0.00000e+00 0.00000e+00 6.61898e-01 270.000 5.47215e+00 90.000  0.0872 
1 1 1 9  0  28 o 15 1.56159e+02 3.64339e+01 6.66223e+01 0.000   2.47879e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.41102e+02 0.000   7.44802e+01 0.000   0.9860 
1 1 1 9  0  29 o 17 9.07968e+01 5.48275e+01 8.96441e+00 90.000  1.16720e-17  1.90619e-01  0.00000e+00 0.00000e+00 1.44395e+01 90.000  5.47513e+00 90.000  0.1883 
1 1 1 9  0  30 o 7  7.16730e+01 3.97503e+01 4.55291e+01 180.000 -1.21187e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.78270e+01 180.000 7.70207e+00 0.000   0.8372 
1 1 1 9  0  31 o 17 3.41195e+01 2.43674e+01 2.99699e+01 90.000  4.04211e-17  6.60126e-01  0.00000e+00 0.00000e+00 2.12935e+00 270.000 3.20992e+01 270.000 0.5784 
1 1 1 9  0  32 o 4  5.11739e+01 3.43268e+01 9.30901e+00 0.000   2.51014e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.72400e+00 0.000   5.85009e-01 180.000 0.2459 
1 1 1 9  0  33 o 5  4.62722e+01 3.18097e+01 3.87397e+00 270.000 -7.85386e-18 -1.28263e-01 0.00000e+00 0.00000e+00 4.72566e+00 270.000 8.51691e-01 270.000 0.1276 
1 1 1 9  0  34 o 1  3.92827e+01 2.79144e+01 3.97187e+00 180.000 -1.29664e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.53338e+00 180.000 4.38495e-01 0.000   0.1289 
1 1 1 9  0  35 o 5  4.98365e+01 3.40125e+01 7.04913e+00 270.000 -1.67979e-17 -2.74331e-01 0.00000e+00 0.00000e+00 1.30621e+01 270.000 6.01302e+00 270.000 0.2677 
1 1 1 9  0  36 o 8  4.54611e+01 3.19901e+01 8.08686e+00 180.000 -3.38705e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.46843e+01 180.000 6.59744e+00 180.000 0.3263 
1 1 1 9  1  2  o 18 4.80392e+02 1.84812e+01 3.42391e+02 123.502 -6.70556e+00 1.01301e+01  0.00000e+00 0.00000e+00 1.67827e+02 123.502 1.74564e+02 303.502 0.9579 
1 1 1 9  1  3  o 9  3.71076e+02 1.63409e+01 3.17588e+02 178.593 -8.60790e+00 2.11487e-01  0.00000e+00 0.00000e+00 6.96448e+01 178.593 2.47944e+02 358.593 0.9400 
1 1 1 9  1  4  o 14 1.66894e+02 1.15360e+01 2.58023e+02 26.374  2.88065e+00  1.42837e+00  0.00000e+00 0.00000e+00 1.04950e+02 206.374 3.62972e+02 206.374 0.8247 
1 1 1 9  1  5  o 7  2.74333e+02 1.05600e+01 1.39792e+02 27.587  2.48025e+00  1.29591e+00  0.00000e+00 0.00000e+00 1.02969e+02 27.587  3.68230e+01 207.587 0.7939 
1 1 1 9  1  6  o 16 4.15014e+02 1.21543e+01 1.39144e+02 331.118 4.82935e+00  -2.66399e+00 0.00000e+00 0.00000e+00 2.80249e+02 331.118 1.41105e+02 331.118 0.9041 
1 1 1 9  1  7  o 13 1.35105e+02 1.21945e+01 1.19705e+02 328.262 1.27239e+00  -7.87007e-01 0.00000e+00 0.00000e+00 2.95320e+01 148.262 1.49237e+02 148.262 0.5952 
1 1 1 9  1  8  o 2  5.87168e+02 1.47297e+01 4.01282e+02 164.571 -1.90464e+01 5.25659e+00  0.00000e+00 0.00000e+00 2.42717e+02 164.571 1.58565e+02 344.571 0.9744 
1 1 1 9  1  9  o 7  1.54280e+02 1.08466e+01 1.34161e+02 40.704  1.64341e+00  1.41377e+00  0.00000e+00 0.00000e+00 7.97366e+00 220.704 1.42134e+02 220.704 0.7235 
1 1 1 9  1  10 o 11 3.89456e+02 1.21201e+01 2.67135e+02 2.707   1.26469e+01  5.97930e-01  0.00000e+00 0.00000e+00 1.57409e+02 2.707   1.09727e+02 182.707 0.9597 
1 1 1 9  1  11 o 8  4.07248e+02 1.24607e+01 1.37702e+02 6.380   7.39016e+00  8.26277e-01  0.00000e+00 0.00000e+00 2.94850e+02 6.380   1.57148e+02 6.380   0.9301 
1 1 1 9  1  12 o 7  3.12461e+02 1.15773e+01 1.85749e+02 44.249  4.38721e+00  4.27370e+00  0.00000e+00 0.00000e+00 1.42369e+02 44.249  4.33798e+01 224.249 0.9143 
1 1 1 9  1  13 o 14 2.45230e+02 1.75683e+01 7.82268e+01 18.153  2.96612e+00  9.72502e-01  0.00000e+00 0.00000e+00 1.53801e+02 18.153  7.55737e+01 18.153  0.8186 
1 1 1 9  1  14 o 11 8.67395e+02 2.32353e+01 4.23884e+02 207.771 -4.83731e+01 -2.54729e+01 0.00000e+00 0.00000e+00 5.76275e+02 207.771 1.52391e+02 207.771 0.9908 
1 1 1 9  1  15 o 5  1.78635e+02 1.37733e+01 1.39969e+02 334.258 3.68941e+00  -1.77894e+00 0.00000e+00 0.00000e+00 4.16156e+01 334.258 9.83532e+01 154.258 0.8671 
1 1 1 9  1  16 o 1  4.61061e+02 1.41945e+01 1.98168e+02 56.163  8.75736e+00  1.30635e+01  0.00000e+00 0.00000e+00 3.28961e+02 56.163  1.30793e+02 56.163  0.9677 
1 1 1 9  1  20 o 10 1.73616e+02 1.80458e+01 4.43456e+01 218.175 -1.09560e+00 -8.61389e-01 0.00000e+00 0.00000e+00 7.66302e+01 218.175 3.22846e+01 218.175 0.5687 
1 1 1 9  1  24 o 12 2.23645e+02 2.50389e+01 1.34539e+02 81.023  1.34268e+00  8.49986e+00  0.00000e+00 0.00000e+00 1.34706e+02 81.023  1.66958e-01 81.023  0.9400 
1 1 1 9  1  25 o 16 1.54986e+02 2.74656e+01 7.17555e+01 312.073 2.80653e+00  -3.10901e+00 0.00000e+00 0.00000e+00 1.03170e+02 312.073 3.14148e+01 312.073 0.8704 
1 1 1 9  1  26 o 9  5.59055e+01 2.54918e+01 4.08039e+01 187.537 -1.00344e+00 -1.32767e-01 0.00000e+00 0.00000e+00 7.70870e+00 7.537   4.85126e+01 7.537   0.4507 
1 1 1 9  1  27 o 4  1.16103e+02 3.04439e+01 6.91993e+01 243.486 -1.61790e+00 -3.24298e+00 0.00000e+00 0.00000e+00 6.17596e+01 243.486 7.43969e+00 63.486  0.8473 
1 1 1 9  1  28 o 2  1.15103e+02 3.30090e+01 1.19901e+02 328.128 4.91041e+00  -3.05308e+00 0.00000e+00 0.00000e+00 2.12971e+01 328.128 9.86041e+01 148.128 0.9088 
1 1 1 9  1  29 o 13 6.89198e+01 2.89899e+01 6.63289e+01 3.326   2.71285e+00  1.57636e-01  0.00000e+00 0.00000e+00 7.91521e+00 3.326   5.84137e+01 183.326 0.7867 
1 1 1 9  1  30 o 16 1.15886e+02 2.75586e+01 8.60015e+01 170.379 -7.41254e+00 1.25647e+00  0.00000e+00 0.00000e+00 6.39311e+01 170.379 2.20704e+01 350.379 0.9309 
1 1 1 9  1  31 o 15 5.73698e+01 2.59019e+01 5.02310e+01 112.779 -1.07417e+00 2.55799e+00  0.00000e+00 0.00000e+00 1.38827e+01 112.779 3.63483e+01 292.779 0.7918 
1 1 1 9  1  32 o 16 5.90241e+01 2.67048e+01 1.90797e+01 40.686  8.22599e-01  7.07194e-01  0.00000e+00 0.00000e+00 2.11774e+01 40.686  2.09776e+00 40.686  0.4756 
1 1 1 9  1  33 o 5  4.55657e+01 2.22681e+01 9.60986e+00 253.577 -1.78981e-01 -6.07225e-01 0.00000e+00 0.00000e+00 1.04265e+01 253.577 8.16634e-01 253.577 0.3017 
1 1 1 9  1  34 o 15 6.41143e+01 2.84085e+01 3.60365e+01 330.782 2.21285e+00  -1.23761e+00 0.00000e+00 0.00000e+00 3.70378e+01 330.782 1.00131e+00 330.782 0.7688 
1 1 1 9  1  35 o 13 5.26195e+01 2.51552e+01 1.12425e+01 310.022 5.58194e-01  -6.64713e-01 0.00000e+00 0.00000e+00 2.03240e+01 310.022 9.08150e+00 310.022 0.3977 
1 1 1 9  1  36 o 16 6.48507e+01 2.92913e+01 2.15363e+01 127.666 -1.05513e+00 1.36684e+00  0.00000e+00 0.00000e+00 4.29421e+01 127.666 2.14058e+01 127.666 0.6474 
1 1 1 9  2  1  o 18 4.65344e+02 2.59118e+01 4.02353e+02 114.124 -5.57345e+00 1.24457e+01  0.00000e+00 0.00000e+00 9.47226e+01 114.124 3.07630e+02 294.124 0.9626 
1 1 1 9  2  2  f 0  5.81963e+02 2.94091e+01 3.02101e+02 210.192 -1.08927e+01 -6.33759e+00 0.00000e+00 0.00000e+00 3.17986e+02 210.192 1.58851e+01 210.192 0.9595 
1 1 1 9  2  3  o 8  6.32187e+02 2.18465e+01 4.85953e+02 299.696 1.13182e+01  -1.98462e+01 0.00000e+00 0.00000e+00 2.01432e+02 299.696 2.84521e+02 119.696 0.9779 
1 1 1 9  2  4  o 15 6.51275e+02 2.23000e+01 2.46796e+02 19.600  1.10441e+01  3.93255e+00  0.00000e+00 0.00000e+00 4.46988e+02 19.600  2.00192e+02 19.600  0.9564 
1 1 1 9  2  5  o 5  3.05747e+02 1.08701e+01 2.02274e+02 110.811 -1.58978e+00 4.18266e+00  0.00000e+00 0.00000e+00 9.79645e+01 110.811 1.04310e+02 290.811 0.8796 
1 1 1 9  2  6  o 7  1.57640e+02 1.01779e+01 8.76627e+01 32.382  1.10846e+00  7.02959e-01  0.00000e+00 0.00000e+00 8.74399e+00 32.382  7.89187e+01 212.382 0.5463 
1 1 1 9  2  7  o 7  3.58776e+02 1.14897e+01 2.17705e+02 50.881  4.26533e+00  5.24490e+00  0.00000e+00 0.00000e+00 1.54144e+02 50.881  6.35610e+01 230.881 0.9228 
1 1 1 9  2  8  o 6  3.16842e+02 1.11069e+01 2.59344e+02 260.467 -1.13814e+00 -6.77707e+00 0.00000e+00 0.00000e+00 7.07582e+01 260.467 1.88586e+02 80.467  0.9241 
1 1 1 9  2  9  o 11 2.40902e+02 1.06328e+01 1.22957e+02 0.503   3.08236e+00  2.70447e-02  0.00000e+00 0.00000e+00 9.95992e+01 0.503   2.33580e+01 180.503 0.8159 
1 1 1 9  2  10 o 7  3.49867e+02 1.35503e+01 1.86729e+02 158.731 -7.34405e+00 2.85873e+00  0.00000e+00 0.00000e+00 1.85142e+02 158.731 1.58650e+00 338.731 0.9342 
1 1 1 9  2  11 o 10 3.55257e+02 1.19193e+01 2.72578e+02 244.220 -5.55758e+00 -1.15065e+01 0.00000e+00 0.00000e+00 1.17519e+02 244.220 1.55059e+02 64.220  0.9600 
1 1 1 9  2  12 o 12 2.96842e+02 1.34042e+01 8.48828e+01 45.376  1.85244e+00  1.87694e+00  0.00000e+00 0.00000e+00 1.81186e+02 45.376  9.63031e+01 45.376  0.7791 
1 1 1 9  2  13 o 19 6.05738e+02 1.79673e+01 3.23383e+02 83.970  3.32706e+00  3.14969e+01  0.00000e+00 0.00000e+00 3.66724e+02 83.970  4.33412e+01 83.970  0.9841 
1 1 1 9  2  14 o 16 3.01287e+02 1.44960e+01 1.50998e+02 219.028 -5.38403e+00 -4.36427e+00 0.00000e+00 0.00000e+00 1.73760e+02 219.028 2.27623e+01 219.028 0.9247 
1 1 1 9  2  15 o 9  2.21284e+02 1.30986e+01 3.87568e+01 109.533 -4.82026e-01 1.35869e+00  0.00000e+00 0.00000e+00 1.12300e+02 109.533 7.35428e+01 109.533 0.5814 
1 1 1 9  2  16 o 5  2.46506e+02 1.34185e+01 1.45279e+02 210.696 -5.29108e+00 -3.14112e+00 0.00000e+00 0.00000e+00 1.21543e+02 210.696 2.37352e+01 30.696  0.9147 
1 1 1 9  2  17 o 10 2.17423e+02 1.57323e+01 1.86147e+02 296.434 3.32931e+00  -6.69700e+00 0.00000e+00 0.00000e+00 5.52723e+01 296.434 1.30875e+02 116.434 0.9305 
1 1 1 9  2  18 o 8  3.44705e+02 1.57567e+01 1.23411e+02 306.229 4.76866e+00  -6.50858e+00 0.00000e+00 0.00000e+00 2.64926e+02 306.229 1.41516e+02 306.229 0.9358 
1 1 1 9  2  19 o 15 4.42367e+02 1.51003e+01 2.04318e+02 108.668 -4.42777e+00 1.31057e+01  0.00000e+00 0.00000e+00 3.13411e+02 108.668 1.09093e+02 108.668 0.9631 
1 1 1 9  2  20 o 8  1.51961e+02 1.93607e+01 8.88748e+01 332.478 1.98631e+00  -1.03497e+00 0.00000e+00 0.00000e+00 4.79022e+01 332.478 4.09727e+01 152.478 0.7335 
1 1 1 9  2  21 o 2  7.67786e+01 2.63833e+01 6.48656e+01 127.350 -5.01359e-01 6.56932e-01  0.00000e+00 0.00000e+00 2.85460e+01 307.350 9.34116e+01 307.350 0.3815 
1 1 1 9  2  23 o 13 2.10022e+02 5.91038e+01 1.19418e+02 320.599 3.57901e+00  -2.93999e+00 0.00000e+00 0.00000e+00 1.15969e+02 320.599 3.44897e+00 140.599 0.8841 
1 1 1 9  2  24 o 14 1.42713e+02 2.66242e+01 9.02142e+01 350.564 3.71530e+00  -6.17456e-01 0.00000e+00 0.00000e+00 6.61153e+01 350.564 2.40989e+01 170.564 0.8539 
1 1 1 9  2  25 o 9  1.94591e+02 2.26281e+01 6.04889e+01 220.927 -3.55411e+00 -3.08161e+00 0.00000e+00 0.00000e+00 1.63442e+02 220.927 1.02953e+02 220.927 0.8860 
1 1 1 9  2  26 o 4  6.23877e+01 2.74628e+01 2.22394e+01 103.012 -1.34323e-01 5.81257e-01  0.00000e+00 0.00000e+00 1.21500e+00 103.012 2.10244e+01 283.012 0.2858 
1 1 1 9  2  27 o 5  6.67850e+01 2.82206e+01 2.81766e+01 80.045  1.52523e-01  8.68951e-01  0.00000e+00 0.00000e+00 7.71839e+00 80.045  2.04582e+01 260.045 0.4031 
1 1 1 9  2  28 o 12 1.28623e+02 3.13944e+01 6.41506e+01 173.594 -3.53503e+00 3.96879e-01  0.00000e+00 0.00000e+00 8.26176e+01 173.594 1.84670e+01 173.594 0.8440 
1 1 1 9  2  29 f 0  8.67722e+01 3.21370e+01 2.10405e+01 186.268 -9.99267e-01 -1.09752e-01 0.00000e+00 0.00000e+00 3.23056e+01 186.268 1.12651e+01 186.268 0.4483 
1 1 1 9  2  30 o 11 7.46200e+01 2.87898e+01 7.63185e+01 316.360 2.99646e+00  -2.85748e+00 0.00000e+00 0.00000e+00 1.39196e+01 316.360 6.23988e+01 136.360 0.8687 
1 1 1 9  2  31 o 10 9.71791e+01 3.18973e+01 5.86056e+01 358.952 4.43213e+00  -8.11090e-02 0.00000e+00 0.00000e+00 6.20551e+01 358.952 3.44951e+00 358.952 0.8783 
1 1 1 9  2  32 o 7  6.55670e+01 2.86575e+01 1.44700e+01 62.330  4.02087e-01  7.66848e-01  0.00000e+00 0.00000e+00 2.29025e+01 62.330  8.43243e+00 62.330  0.3969 
1 1 1 9  2  33 o 17 7.86662e+01 3.11913e+01 4.27962e+01 134.897 -2.28346e+00 2.29166e+00  0.00000e+00 0.00000e+00 5.20692e+01 134.897 9.27299e+00 134.897 0.8260 
1 1 1 9  2  34 o 10 5.37019e+01 2.53480e+01 1.77228e+01 255.429 -3.03018e-01 -1.16573e+00 0.00000e+00 0.00000e+00 2.32775e+01 255.429 5.55469e+00 255.429 0.5142 
1 1 1 9  2  35 o 1  6.91416e+01 3.01116e+01 1.70805e+01 273.239 7.50273e-02  -1.32588e+00 0.00000e+00 0.00000e+00 4.04456e+01 273.239 2.33651e+01 273.239 0.5506 
1 1 1 9  2  36 o 18 4.48347e+01 2.21226e+01 2.74785e+01 103.464 -5.44890e-01 2.27592e+00  0.00000e+00 0.00000e+00 2.40013e+01 103.464 3.47722e+00 283.464 0.7464 
1 1 1 9  3  1  o 9  3.47422e+02 2.28081e+01 2.71326e+02 211.793 -5.78602e+00 -3.58656e+00 0.00000e+00 0.00000e+00 8.55890e+01 211.793 1.85737e+02 31.793  0.9233 
1 1 1 9  3  2  o 8  3.92171e+02 2.38048e+01 2.11665e+02 44.829  4.35815e+00  4.33220e+00  0.00000e+00 0.00000e+00 1.87702e+02 44.829  2.39628e+01 224.829 0.9146 
1 1 1 9  3  3  o 15 7.68738e+02 2.05935e+01 5.34196e+02 338.590 2.80930e+01  -1.10151e+01 0.00000e+00 0.00000e+00 3.08543e+02 338.590 2.25654e+02 158.590 0.9833 
1 1 1 9  3  4  o 1  1.58487e+02 1.15104e+01 1.32074e+02 225.771 -1.06596e+00 -1.09505e+00 0.00000e+00 0.00000e+00 2.53331e+01 45.771  1.57407e+02 45.771  0.6030 
1 1 1 9  3  5  o 4  5.30659e+02 1.59455e+01 2.47511e+02 123.955 -7.01145e+00 1.04125e+01  0.00000e+00 0.00000e+00 3.22336e+02 123.955 7.48248e+01 123.955 0.9593 
1 1 1 9  3  6  o 8  3.42040e+02 1.12914e+01 2.36596e+02 223.859 -5.46406e+00 -5.25062e+00 0.00000e+00 0.00000e+00 1.21036e+02 223.859 1.15560e+02 43.859  0.9315 
1 1 1 9  3  7  o 8  6.61950e+01 1.54861e+01 4.85886e+01 211.317 -2.33692e-01 -1.42180e-01 0.00000e+00 0.00000e+00 3.84866e+01 31.317  8.70753e+01 31.317  0.1355 
1 1 1 9  3  8  o 4  8.20673e+02 1.87003e+01 4.08555e+02 12.986  3.43890e+01  7.93070e+00  0.00000e+00 0.00000e+00 5.05947e+02 12.986  9.73917e+01 12.986  0.9857 
1 1 1 9  3  9  o 15 2.75023e+02 1.25061e+01 1.79128e+02 11.937  5.99260e+00  1.26683e+00  0.00000e+00 0.00000e+00 1.06340e+02 11.937  7.27887e+01 191.937 0.9143 
1 1 1 9  3  10 o 2  5.30774e+01 1.64946e+01 1.38798e+02 151.512 -7.68456e-01 4.17034e-01  0.00000e+00 0.00000e+00 1.14573e+02 331.512 2.53372e+02 331.512 0.4001 
1 1 1 9  3  11 f 0  1.98291e+02 1.11133e+01 2.53281e+02 91.760  -1.67359e-01 5.44706e+00  0.00000e+00 0.00000e+00 4.79645e+01 271.760 3.01245e+02 271.760 0.9029 
1 1 1 9  3  12 o 16 5.93353e+02 1.75493e+01 3.56552e+02 180.957 -2.78353e+01 -4.65017e-01 0.00000e+00 0.00000e+00 3.15476e+02 180.957 4.10762e+01 0.957   0.9819 
1 1 1 9  3  13 o 13 3.51871e+02 1.41658e+01 1.54097e+02 308.367 5.45905e+00  -6.89578e+00 0.00000e+00 0.00000e+00 2.30381e+02 308.367 7.62843e+01 308.367 0.9413 
1 1 1 9  3  14 o 14 6.11736e+02 1.83472e+01 3.44068e+02 5.609   3.13172e+01  3.07552e+00  0.00000e+00 0.00000e+00 3.59432e+02 5.609   1.53644e+01 5.609   0.9840 
1 1 1 9  3  15 o 17 1.07715e+02 2.21658e+01 1.09637e+02 167.955 -1.86898e+00 3.98803e-01  0.00000e+00 0.00000e+00 2.30720e+01 347.955 1.32709e+02 347.955 0.6826 
1 1 1 9  3  16 o 6  3.28592e+02 1.47608e+01 1.93444e+02 219.710 -8.31503e+00 -6.90564e+00 0.00000e+00 0.00000e+00 1.77947e+02 219.710 1.54972e+01 39.710  0.9526 
1 1 1 9  3  17 o 5  1.77701e+02 1.53326e+01 1.42044e+02 37.164  3.69986e+00  2.80465e+00  0.00000e+00 0.00000e+00 4.59858e+01 37.164  9.60583e+01 217.164 0.8844 
1 1 1 9  3  18 o 16 2.92125e+02 1.59150e+01 1.68745e+02 63.048  4.21185e+00  8.28351e+00  0.00000e+00 0.00000e+00 1.64321e+02 63.048  4.42389e+00 243.048 0.9446 
1 1 1 9  3  20 o 19 2.07651e+02 4.75115e+01 1.37374e+02 302.692 2.13525e+00  -3.32701e+00 0.00000e+00 0.00000e+00 8.27899e+01 302.692 5.45840e+01 122.692 0.8617 
1 1 1 9  3  21 o 10 1.51549e+02 2.10470e+01 1.19162e+02 155.481 -2.78759e+00 1.27152e+00  0.00000e+00 0.00000e+00 3.43154e+01 155.481 8.48465e+01 335.481 0.8146 
1 1 1 9  3  22 o 12 2.36077e+02 5.32565e+01 1.58713e+02 145.415 -5.27389e+00 3.63623e+00  0.00000e+00 0.00000e+00 1.13723e+02 145.415 4.49906e+01 325.415 0.9182 
1 1 1 9  3  24 o 15 6.48380e+01 2.77412e+01 5.38607e+01 318.216 7.50903e-01  -6.71014e-01 0.00000e+00 0.00000e+00 1.64249e+01 138.216 7.02856e+01 138.216 0.4489 
1 1 1 9  3  25 o 14 6.48109e+01 2.81050e+01 3.81431e+01 296.675 4.12559e-01  -8.21189e-01 0.00000e+00 0.00000e+00 2.95208e+00 116.675 4.10952e+01 116.675 0.4170 
1 1 1 9  3  26 o 2  5.28108e+01 2.44859e+01 1.87088e+01 344.162 4.26344e-01  -1.20952e-01 0.00000e+00 0.00000e+00 3.63945e+00 164.162 2.23483e+01 164.162 0.2163 
1 1 1 9  3  27 o 2  1.00925e+02 3.10773e+01 7.01695e+01 314.324 2.28008e+00  -2.33456e+00 0.00000e+00 0.00000e+00 4.15078e+01 314.324 2.86617e+01 134.324 0.8277 
1 1 1 9  3  28 o 6  5.06091e+01 2.39774e+01 2.12721e+01 164.511 -6.19036e-01 1.71542e-01  0.00000e+00 0.00000e+00 3.01770e-01 344.511 2.15739e+01 344.511 0.3057 
1 1 1 9  3  29 o 19 1.34463e+02 2.57229e+01 9.18733e+01 141.954 -6.21787e+00 4.86596e+00  0.00000e+00 0.00000e+00 8.08942e+01 141.954 1.09791e+01 321.954 0.9343 
1 1 1 9  3  30 o 11 1.07195e+02 3.48662e+01 3.38434e+01 338.851 2.05315e+00  -7.94249e-01 0.00000e+00 0.00000e+00 7.51135e+01 338.851 4.12701e+01 338.851 0.7282 
1 1 1 9  3  31 o 18 6.18574e+01 2.73249e+01 5.91562e+01 290.299 1.13282e+00  -3.06262e+00 0.00000e+00 0.00000e+00 1.34267e+01 290.299 4.57295e+01 110.299 0.8278 
1 1 1 9  3  32 o 2  7.01443e+01 2.91229e+01 1.02622e+01 309.646 4.11134e-01  -4.96164e-01 0.00000e+00 0.00000e+00 2.07033e+01 309.646 1.04410e+01 309.646 0.3065 
1 1 1 9  3  33 o 12 5.38333e+01 2.53347e+01 1.70716e+01 183.036 -1.14649e+00 -6.08135e-02 0.00000e+00 0.00000e+00 2.20491e+01 183.036 4.97752e+00 183.036 0.4964 
1 1 1 9  3  34 o 18 5.06269e+01 2.41751e+01 1.71839e+01 163.160 -1.20834e+00 3.65730e-01  0.00000e+00 0.00000e+00 2.28939e+01 163.160 5.71001e+00 163.160 0.5317 
1 1 1 9  3  35 o 11 6.76496e+01 2.98782e+01 5.01878e+01 68.968  1.38372e+00  3.59876e+00  0.00000e+00 0.00000e+00 3.77195e+01 68.968  1.24683e+01 248.968 0.8577 
1 1 1 9  3  36 o 11 6.66701e+01 2.96502e+01 9.05453e+00 70.196  2.47323e-01  6.86825e-01  0.00000e+00 0.00000e+00 2.61813e+01 70.196  1.71267e+01 70.196  0.3427 
1 1 1 9  4  0  o 17 8.50759e+02 3.89674e+01 4.88658e+02 270.000 -9.26335e-16 -1.51282e+01 0.00000e+00 0.00000e+00 4.61237e+02 270.000 2.74215e+01 90.000  1.0000 
1 1 1 9  4  1  o 14 3.53211e+02 2.29506e+01 4.62062e+02 292.021 4.48415e+00  -1.10871e+01 0.00000e+00 0.00000e+00 8.44629e+01 112.021 5.46525e+02 112.021 0.9572 
1 1 1 9  4  2  o 15 4.14117e+02 2.43971e+01 1.72329e+02 107.611 -1.56547e+00 4.93174e+00  0.00000e+00 0.00000e+00 2.42963e+02 107.611 7.06341e+01 107.611 0.8973 
1 1 1 9  4  3  o 1  3.71319e+02 1.34053e+01 3.67372e+02 80.625  1.61734e+00  9.79655e+00  0.00000e+00 0.00000e+00 2.66412e+01 80.625  3.40731e+02 260.625 0.9482 
1 1 1 9  4  4  o 6  2.86421e+02 1.23104e+01 2.29300e+02 143.241 -5.07711e+00 3.79245e+00  0.00000e+00 0.00000e+00 6.52355e+01 143.241 1.64064e+02 323.241 0.9173 
1 1 1 9  4  5  o 1  2.87391e+02 1.52002e+01 1.41395e+02 225.077 -2.69608e+00 -2.70338e+00 0.00000e+00 0.00000e+00 1.35061e+02 225.077 6.33332e+00 45.077  0.8561 
1 1 1 9  4  6  f 0  3.54634e+02 1.14436e+01 2.19753e+02 289.468 2.25027e+00  -6.36571e+00 0.00000e+00 0.00000e+00 1.48910e+02 289.468 7.08438e+01 109.468 0.9227 
1 1 1 9  4  7  f 0  1.09499e+02 1.09642e+01 7.65558e+01 128.652 -4.40373e-01 5.50615e-01  0.00000e+00 0.00000e+00 3.54247e+01 308.652 1.11980e+02 308.652 0.3323 
1 1 1 9  4  8  o 4  1.88364e+02 1.04494e+01 1.23837e+02 231.617 -1.52225e+00 -1.92179e+00 0.00000e+00 0.00000e+00 3.85227e+01 231.617 8.53143e+01 51.617  0.7596 
1 1 1 9  4  9  o 8  3.52396e+02 1.16317e+01 2.44805e+02 306.934 6.35843e+00  -8.45825e+00 0.00000e+00 0.00000e+00 1.37299e+02 306.934 1.07506e+02 126.934 0.9515 
1 1 1 9  4  10 f 0  3.53749e+02 1.34805e+01 1.96608e+02 71.016  3.02623e+00  8.79679e+00  0.00000e+00 0.00000e+00 1.86016e+02 71.016  1.05916e+01 251.016 0.9446 
1 1 1 9  4  11 o 9  5.68083e+02 1.46867e+01 3.62326e+02 72.310  6.65966e+00  2.08796e+01  0.00000e+00 0.00000e+00 2.76508e+02 72.310  8.58188e+01 252.310 0.9769 
1 1 1 9  4  12 o 10 3.84878e+02 1.43683e+01 2.28291e+02 4.416   1.14752e+01  8.86142e-01  0.00000e+00 0.00000e+00 1.97505e+02 4.416   3.07867e+01 184.416 0.9555 
1 1 1 9  4  13 o 8  1.59842e+02 1.25827e+01 1.67222e+02 222.186 -3.18869e+00 -2.88991e+00 0.00000e+00 0.00000e+00 4.40318e+00 42.186  1.71625e+02 42.186  0.8743 
1 1 1 9  4  14 o 14 5.19976e+02 1.69248e+01 2.30027e+02 227.926 -1.32800e+01 -1.47105e+01 0.00000e+00 0.00000e+00 3.64361e+02 227.926 1.34334e+02 227.926 0.9744 
1 1 1 9  4  15 o 6  4.03248e+01 1.86210e+01 9.21471e+01 168.307 -5.91302e-01 1.22374e-01  0.00000e+00 0.00000e+00 7.83783e+01 348.307 1.70525e+02 348.307 0.2889 
1 1 1 9  4  16 o 15 4.60658e+02 1.98659e+01 1.95565e+02 243.545 -7.89737e+00 -1.58709e+01 0.00000e+00 0.00000e+00 3.37365e+02 243.545 1.41800e+02 243.545 0.9714 
1 1 1 9  4  17 o 8  8.85786e+01 2.24996e+01 1.36642e+02 342.636 2.03156e+00  -6.35256e-01 0.00000e+00 0.00000e+00 6.02851e+01 162.636 1.96927e+02 162.636 0.7178 
1 1 1 9  4  18 o 7  1.66471e+02 1.71404e+01 1.82376e+02 126.238 -3.34236e+00 4.56040e+00  0.00000e+00 0.00000e+00 4.84880e-01 126.238 1.81891e+02 306.238 0.9066 
1 1 1 9  4  19 o 18 4.71035e+01 2.11230e+01 5.33428e+01 290.946 1.33144e-01  -3.47830e-01 0.00000e+00 0.00000e+00 4.27973e+01 110.946 9.61401e+01 110.946 0.1831 
1 1 1 9  4  20 o 6  1.67153e+02 1.85006e+01 6.93453e+01 128.619 -1.19069e+00 1.49053e+00  0.00000e+00 0.00000e+00 7.14504e+01 128.619 2.10509e+00 128.619 0.6820 
1 1 1 9  4  22 o 18 2.86314e+02 4.84425e+01 1.69645e+02 314.539 6.64387e+00  -6.75174e+00 0.00000e+00 0.00000e+00 1.71899e+02 314.539 2.25389e+00 314.539 0.9456 
1 1 1 9  4  23 o 18 2.04989e+02 2.54170e+01 1.13520e+02 111.828 -2.22362e+00 5.55144e+00  0.00000e+00 0.00000e+00 1.25017e+02 111.828 1.14968e+01 111.828 0.9121 
1 1 1 9  4  24 o 5  1.58938e+02 2.59327e+01 7.90728e+01 239.754 -1.85120e+00 -3.17486e+00 0.00000e+00 0.00000e+00 9.52971e+01 239.754 1.62243e+01 239.754 0.8498 
1 1 1 9  4  25 o 11 7.38295e+01 2.98464e+01 2.09793e+01 254.436 -1.48285e-01 -5.32387e-01 0.00000e+00 0.00000e+00 4.71862e+00 254.436 1.62606e+01 74.436  0.2663 
1 1 1 9  4  26 o 8  8.35780e+01 3.04973e+01 1.35271e+01 80.837  7.33069e-02  4.54480e-01  0.00000e+00 0.00000e+00 1.12927e+01 80.837  2.23441e+00 260.837 0.2243 
1 1 1 9  4  27 o 17 7.26240e+01 3.03697e+01 7.08536e+01 247.473 -9.17845e-01 -2.21291e+00 0.00000e+00 0.00000e+00 2.54289e+00 247.473 6.83107e+01 67.473  0.7532 
1 1 1 9  4  28 o 13 1.13487e+02 2.65781e+01 3.46250e+01 348.547 2.17572e+00  -4.40783e-01 0.00000e+00 0.00000e+00 7.82150e+01 348.547 4.35900e+01 348.547 0.7308 
1 1 1 9  4  29 o 2  1.25202e+02 2.64599e+01 7.56436e+01 340.085 5.94766e+00  -2.15479e+00 0.00000e+00 0.00000e+00 8.28536e+01 340.085 7.21002e+00 340.085 0.9171 
1 1 1 9  4  30 o 10 8.61823e+01 3.47809e+01 5.28742e+01 113.983 -1.16499e+00 2.61876e+00  0.00000e+00 0.00000e+00 4.36683e+01 113.983 9.20588e+00 293.983 0.7996 
1 1 1 9  4  31 o 13 8.76963e+01 3.04082e+01 6.52800e+01 141.103 -3.56407e+00 2.87551e+00  0.00000e+00 0.00000e+00 4.48412e+01 141.103 2.04388e+01 321.103 0.8826 
1 1 1 9  4  32 o 6  5.38757e+01 2.47262e+01 2.72726e+01 156.126 -1.41595e+00 6.26686e-01  0.00000e+00 0.00000e+00 2.00672e+01 156.126 7.20543e+00 336.126 0.6079 
1 1 1 9  4  33 f 0  6.41613e+01 2.84258e+01 1.39955e+01 345.732 9.26848e-01  -2.35699e-01 0.00000e+00 0.00000e+00 2.66107e+01 345.732 1.26152e+01 345.732 0.4307 
1 1 1 9  4  34 o 17 7.22330e+01 3.05792e+01 2.44027e+01 320.347 1.42418e+00  -1.18042e+00 0.00000e+00 0.00000e+00 4.80828e+01 320.347 2.36801e+01 320.347 0.6715 
1 1 1 9  4  35 o 3  5.57153e+01 2.62581e+01 1.07269e+01 68.210  3.10541e-01  7.76790e-01  0.00000e+00 0.00000e+00 2.19340e+01 68.210  1.12070e+01 68.210  0.3855 
1 1 1 9  4  36 o 14 7.81779e+01 3.23890e+01 2.03493e+01 291.908 6.17642e-01  -1.53583e+00 0.00000e+00 0.00000e+00 5.61725e+01 291.908 3.58232e+01 291.908 0.6323 
1 1 1 9  5  0  o 11 6.69947e+02 3.25376e+01 3.57688e+02 270.000 -5.25781e-16 -8.58666e+00 0.00000e+00 0.00000e+00 3.93923e+02 270.000 3.62348e+01 270.000 1.0000 
1 1 1 9  5  1  o 7  8.74199e+02 3.99714e+01 5.32047e+02 279.558 5.29409e+00  -3.14392e+01 0.00000e+00 0.00000e+00 4.33452e+02 279.558 9.85949e+01 99.558  0.9842 
1 1 1 9  5  2  o 5  2.96649e+02 2.17560e+01 2.25844e+02 97.432  -8.26892e-01 6.33941e+00  0.00000e+00 0.00000e+00 8.00052e+01 97.432  1.45838e+02 277.432 0.9181 
1 1 1 9  5  4  o 1  2.24470e+02 1.18475e+01 1.57987e+02 72.390  1.01171e+00  3.18731e+00  0.00000e+00 0.00000e+00 5.25164e+01 72.390  1.05470e+02 252.390 0.8325 
1 1 1 9  5  5  o 7  5.81354e+02 1.68845e+01 4.82731e+02 339.012 2.26123e+01  -8.67475e+00 0.00000e+00 0.00000e+00 1.59917e+02 339.012 3.22814e+02 159.012 0.9791 
1 1 1 9  5  6  o 18 2.03740e+02 1.18333e+01 2.00608e+02 1.926   3.46055e+00  1.16396e-01  0.00000e+00 0.00000e+00 7.05664e+00 181.926 2.07664e+02 181.926 0.8391 
1 1 1 9  5  7  o 14 1.17884e+02 1.08939e+01 7.38381e+01 156.686 -8.49959e-01 3.66300e-01  0.00000e+00 0.00000e+00 1.76837e+01 336.686 9.15218e+01 336.686 0.4194 
1 1 1 9  5  8  o 12 2.14313e+02 1.04782e+01 2.15463e+02 160.764 -5.44298e+00 1.89932e+00  0.00000e+00 0.00000e+00 6.53801e+00 160.764 2.08925e+02 340.764 0.9085 
1 1 1 9  5  9  o 9  3.06291e+02 1.11888e+01 2.21048e+02 114.652 -3.40192e+00 7.41281e+00  0.00000e+00 0.00000e+00 1.07408e+02 114.652 1.13641e+02 294.652 0.9365 
1 1 1 9  5  10 o 6  3.67035e+02 1.19271e+01 1.71084e+02 260.034 -1.43260e+00 -8.15258e+00 0.00000e+00 0.00000e+00 2.24811e+02 260.034 5.37275e+01 260.034 0.9375 
1 1 1 9  5  11 o 19 1.36300e+02 1.40457e+01 1.56865e+02 335.125 2.60462e+00  -1.20763e+00 0.00000e+00 0.00000e+00 3.07470e+01 155.125 1.87612e+02 155.125 0.8000 
1 1 1 9  5  12 f 0  3.85880e+02 1.44115e+01 1.72564e+02 39.878  8.40465e+00  7.02185e+00  0.00000e+00 0.00000e+00 2.55350e+02 39.878  8.27857e+01 39.878  0.9532 
1 1 1 9  5  13 o 16 1.02647e+02 1.72923e+01 3.32414e+01 79.420  9.55693e-02  5.11644e-01  0.00000e+00 0.00000e+00 2.98029e+00 259.420 3.62217e+01 259.420 0.2518 
1 1 1 9  5  14 o 11 4.50925e+02 1.36383e+01 2.79823e+02 158.066 -1.93266e+01 7.78275e+00  0.00000e+00 0.00000e+00 2.38784e+02 158.066 4.10386e+01 338.065 0.9757 
1 1 1 9  5  15 o 18 1.65165e+02 2.03360e+01 5.27262e+01 344.196 1.42586e+00  -4.03573e-01 0.00000e+00 0.00000e+00 6.32996e+01 344.196 1.05734e+01 344.196 0.5916 
1 1 1 9  5  16 o 17 3.80229e+02 1.51057e+01 1.60965e+02 31.518  1.03537e+01  6.34917e+00  0.00000e+00 0.00000e+00 2.74905e+02 31.518  1.13940e+02 31.518  0.9579 
1 1 1 9  5  17 o 14 4.36797e+02 1.44534e+01 1.69872e+02 133.477 -9.17313e+00 9.67439e+00  0.00000e+00 0.00000e+00 3.37046e+02 133.477 1.67175e+02 133.477 0.9617 
1 1 1 9  5  19 o 17 1.86600e+02 2.43818e+01 7.22302e+01 252.332 -7.30895e-01 -2.29456e+00 0.00000e+00 0.00000e+00 1.00804e+02 252.332 2.85734e+01 252.332 0.7546 
1 1 1 9  5  21 o 9  3.91107e+02 1.72107e+01 1.89140e+02 68.199  5.65816e+00  1.41460e+01  0.00000e+00 0.00000e+00 2.84878e+02 68.199  9.57388e+01 68.199  0.9666 
1 1 1 9  5  22 o 6  2.35017e+02 5.24937e+01 5.28920e+01 15.676  2.20889e+00  6.19899e-01  0.00000e+00 0.00000e+00 1.67737e+02 15.676  1.14845e+02 15.676  0.7406 
1 1 1 9  5  23 o 4  2.17457e+02 4.12501e+01 1.01854e+02 241.997 -2.26534e+00 -4.26001e+00 0.00000e+00 0.00000e+00 1.46026e+02 241.997 4.41717e+01 241.997 0.8892 
1 1 1 9  5  24 o 9  9.57968e+01 3.22590e+01 3.18284e+01 19.220  9.62495e-01  3.35552e-01  0.00000e+00 0.00000e+00 2.44922e+01 19.220  7.33621e+00 199.220 0.4532 
1 1 1 9  5  25 o 19 5.31929e+01 2.49145e+01 2.57727e+01 206.548 -4.64779e-01 -2.32222e-01 0.00000e+00 0.00000e+00 8.20930e+00 26.549  3.39820e+01 26.549  0.2514 
1 1 1 9  5  26 o 4  9.37836e+01 3.04705e+01 2.89902e+01 118.670 -5.39245e-01 9.86163e-01  0.00000e+00 0.00000e+00 3.19722e+01 118.670 2.98203e+00 118.670 0.4886 
1 1 1 9  5  27 o 7  1.17790e+02 3.22801e+01 4.22866e+01 235.063 -1.17439e+00 -1.68113e+00 0.00000e+00 0.00000e+00 6.98273e+01 235.063 2.75407e+01 235.063 0.7059 
1 1 1 9  5  28 o 14 7.12449e+01 2.66979e+01 1.75693e+01 42.916  5.14744e-01  4.78599e-01  0.00000e+00 0.00000e+00 1.47076e+01 42.916  2.86173e+00 222.916 0.3314 
1 1 1 9  5  29 o 14 9.11501e+01 2.91873e+01 4.70636e+01 7.407   2.64643e+00  3.44056e-01  0.00000e+00 0.00000e+00 5.18176e+01 7.407   4.75396e+00 7.407   0.7822 
1 1 1 9  5  30 o 5  1.17505e+02 3.09557e+01 4.49269e+01 247.831 -1.40418e+00 -3.44615e+00 0.00000e+00 0.00000e+00 9.59866e+01 247.831 5.10597e+01 247.831 0.8519 
1 1 1 9  5  31 o 5  7.38910e+01 3.18220e+01 3.13516e+01 82.231  2.45581e-01  1.80005e+00  0.00000e+00 0.00000e+00 3.89206e+01 82.231  7.56900e+00 82.231  0.6653 
1 1 1 9  5  32 o 17 6.38769e+01 2.78583e+01 2.06454e+01 84.010  1.32618e-01  1.26381e+00  0.00000e+00 0.00000e+00 2.89118e+01 84.010  8.26638e+00 84.010  0.5342 
1 1 1 9  5  33 o 8  6.94487e+01 2.90845e+01 7.82974e+00 354.584 5.57972e-01  -5.29030e-02 0.00000e+00 0.00000e+00 1.98328e+01 354.584 1.20030e+01 354.584 0.2698 
1 1 1 9  5  34 o 18 5.09156e+01 2.43383e+01 3.08524e+01 29.136  1.93482e+00  1.07852e+00  0.00000e+00 0.00000e+00 2.49689e+01 29.136  5.88357e+00 209.136 0.7301 
1 1 1 9  5  35 o 9  6.07506e+01 2.75917e+01 1.58601e+01 213.772 -1.03759e+00 -6.93880e-01 0.00000e+00 0.00000e+00 3.31016e+01 213.772 1.72415e+01 213.772 0.5275 
1 1 1 9  6  0  o 13 3.24142e+02 2.26349e+01 3.10451e+02 90.000  2.91854e-16  4.76634e+00  0.00000e+00 0.00000e+00 5.52884e+01 90.000  2.55163e+02 270.000 0.9999 
1 1 1 9  6  1  o 16 7.13112e+02 2.40324e+01 4.16114e+02 99.774  -4.68008e+00 2.71682e+01  0.00000e+00 0.00000e+00 3.74096e+02 99.774  4.20176e+01 279.774 0.9817 
1 1 1 9  6  2  o 7  3.25342e+02 1.57518e+01 1.88622e+02 323.385 4.62269e+00  -3.43505e+00 0.00000e+00 0.00000e+00 1.45249e+02 323.385 4.33729e+01 143.385 0.9084 
1 1 1 9  6  3  o 8  3.76680e+02 1.66200e+01 2.89917e+02 299.204 4.93368e+00  -8.82621e+00 0.00000e+00 0.00000e+00 1.14480e+02 299.204 1.75437e+02 119.204 0.9492 
1 1 1 9  6  4  f 0  3.41133e+02 1.30450e+01 1.86404e+02 258.657 -1.07888e+00 -5.37837e+00 0.00000e+00 0.00000e+00 1.62837e+02 258.657 2.35672e+01 78.657  0.9035 
1 1 1 9  6  5  o 18 2.16846e+02 1.18950e+01 9.92235e+01 353.506 1.80881e+00  -2.05882e-01 0.00000e+00 0.00000e+00 6.47785e+01 353.506 3.44450e+01 173.506 0.6660 
1 1 1 9  6  6  o 16 1.14183e+02 1.27648e+01 5.33257e+01 246.228 -2.61152e-01 -5.92890e-01 0.00000e+00 0.00000e+00 1.32710e+01 66.228  6.65967e+01 66.228  0.3080 
1 1 1 9  6  7  o 15 2.20602e+02 1.05056e+01 6.95584e+01 109.737 -5.37932e-01 1.49932e+00  0.00000e+00 0.00000e+00 8.62729e+01 109.737 1.67145e+01 109.737 0.6183 
1 1 1 9  6  8  o 11 2.65064e+02 1.08040e+01 2.13032e+02 41.661  5.14266e+00  4.57559e+00  0.00000e+00 0.00000e+00 6.79186e+01 41.661  1.45113e+02 221.661 0.9242 
1 1 1 9  6  9  o 5  3.34465e+02 1.15716e+01 2.29085e+02 61.999  4.81477e+00  9.05481e+00  0.00000e+00 0.00000e+00 1.36854e+02 61.999  9.22311e+01 241.999 0.9499 
1 1 1 9  6  10 o 19 4.05137e+01 1.57499e+01 1.44426e+01 164.231 -5.98982e-02 1.69145e-02  0.00000e+00 0.00000e+00 1.29842e+01 344.231 2.74268e+01 344.231 0.0311 
1 1 1 9  6  11 o 3  3.76645e+02 1.70379e+01 2.30968e+02 280.145 2.00367e+00  -1.11972e+01 0.00000e+00 0.00000e+00 1.87515e+02 280.145 4.34525e+01 100.145 0.9550 
1 1 1 9  6  12 o 14 1.50406e+02 1.26021e+01 4.44023e+01 49.484  7.04013e-01  8.23832e-01  0.00000e+00 0.00000e+00 3.92466e+01 49.484  5.15568e+00 229.484 0.4753 
1 1 1 9  6  13 o 1  2.17594e+02 1.21337e+01 1.90447e+02 93.527  -4.32824e-01 7.02197e+00  0.00000e+00 0.00000e+00 4.68164e+01 93.527  1.43630e+02 273.527 0.9259 
1 1 1 9  6  14 o 8  1.90372e+02 1.30233e+01 1.44424e+02 225.104 -3.25046e+00 -3.26227e+00 0.00000e+00 0.00000e+00 5.49637e+01 225.104 8.94603e+01 45.104  0.8833 
1 1 1 9  6  15 o 19 8.37401e+01 2.69833e+01 7.43810e+01 186.973 -1.00536e+00 -1.22959e-01 0.00000e+00 0.00000e+00 2.92807e+01 6.973   1.03662e+02 6.973   0.4509 
1 1 1 9  6  16 o 3  1.28457e+02 2.52917e+01 1.01541e+02 5.792   2.30338e+00  2.33658e-01  0.00000e+00 0.00000e+00 1.33974e+01 5.792   8.81433e+01 185.792 0.7433 
1 1 1 9  6  17 o 4  3.47052e+02 1.55446e+01 1.16279e+02 52.094  4.73034e+00  6.07511e+00  0.00000e+00 0.00000e+00 2.76583e+02 52.094  1.60304e+02 52.094  0.9326 
1 1 1 9  6  19 o 16 1.65849e+02 1.93746e+01 7.35837e+01 80.857  3.51346e-01  2.18315e+00  0.00000e+00 0.00000e+00 7.59795e+01 80.857  2.39576e+00 80.857  0.7296 
1 1 1 9  6  20 o 3  3.67994e+02 1.66851e+01 1.94481e+02 319.426 9.36119e+00  -8.01622e+00 0.00000e+00 0.00000e+00 2.45825e+02 319.426 5.13441e+01 319.426 0.9585 
1 1 1 9  6  23 o 1  2.93375e+02 5.39310e+01 1.91524e+02 324.705 9.30458e+00  -6.58678e+00 0.00000e+00 0.00000e+00 1.69801e+02 324.705 2.17232e+01 144.705 0.9551 
1 1 1 9  6  24 o 11 1.11689e+02 3.16270e+01 3.32853e+01 315.525 8.89100e-01  -8.72942e-01 0.00000e+00 0.00000e+00 4.34930e+01 315.525 1.02077e+01 315.525 0.5268 
1 1 1 9  6  25 o 15 1.20366e+02 3.08771e+01 1.22516e+02 72.750  1.48877e+00  4.79454e+00  0.00000e+00 0.00000e+00 1.96250e+01 72.750  1.02891e+02 252.750 0.8939 
1 1 1 9  6  26 o 4  9.71473e+01 3.00013e+01 3.67976e+01 181.057 -1.64189e+00 -3.02818e-02 0.00000e+00 0.00000e+00 4.50237e+01 181.057 8.22608e+00 181.057 0.6294 
1 1 1 9  6  27 o 7  9.58318e+01 3.28326e+01 3.02930e+01 234.772 -6.79357e-01 -9.62035e-01 0.00000e+00 0.00000e+00 3.54504e+01 234.772 5.15740e+00 234.772 0.5058 
1 1 1 9  6  28 o 18 4.58011e+01 2.14821e+01 2.43495e+01 120.465 -3.80610e-01 6.47056e-01  0.00000e+00 0.00000e+00 2.23088e+00 300.465 2.65804e+01 300.465 0.3512 
1 1 1 9  6  29 o 13 8.05370e+01 2.89006e+01 4.33305e+01 163.249 -2.29861e+00 6.91829e-01  0.00000e+00 0.00000e+00 4.13555e+01 163.249 1.97498e+00 343.249 0.7537 
1 1 1 9  6  30 o 7  5.71162e+01 2.54932e+01 2.43823e+01 288.302 4.03221e-01  -1.21909e+00 0.00000e+00 0.00000e+00 1.91332e+01 288.302 5.24913e+00 108.302 0.5380 
1 1 1 9  6  31 o 11 7.04764e+01 3.10993e+01 4.56408e+01 338.317 2.39512e+00  -9.52286e-01 0.00000e+00 0.00000e+00 3.27140e+01 338.317 1.29268e+01 158.317 0.7732 
1 1 1 9  6  32 o 1  4.87545e+01 2.31142e+01 2.21678e+01 349.390 1.22767e+00  -2.29968e-01 0.00000e+00 0.00000e+00 1.54203e+01 349.390 6.74747e+00 169.390 0.5277 
1 1 1 9  6  33 o 15 6.21916e+01 2.75136e+01 2.39999e+01 246.104 -6.62187e-01 -1.49462e+00 0.00000e+00 0.00000e+00 3.39779e+01 246.104 9.97796e+00 246.104 0.6277 
1 1 1 9  6  34 o 6  6.19686e+01 2.83201e+01 2.19553e+01 50.921  9.85395e-01  1.21343e+00  0.00000e+00 0.00000e+00 3.52677e+01 50.921  1.33124e+01 50.921  0.6114 
1 1 1 9  6  35 o 9  5.60240e+01 2.64348e+01 5.45544e+00 49.844  2.77138e-01  3.28461e-01  0.00000e+00 0.00000e+00 1.26326e+01 49.844  7.17713e+00 49.844  0.2101 
1 1 1 9  7  0  o 8  7.50652e+01 2.79653e+01 2.13581e+02 90.000  4.21189e-17  6.87854e-01  0.00000e+00 0.00000e+00 1.62691e+02 270.000 3.76271e+02 270.000 0.5966 
1 1 1 9  7  1  o 13 3.48946e+02 1.61383e+01 1.17186e+02 273.013 1.85177e-01  -3.51818e+00 0.00000e+00 0.00000e+00 2.16889e+02 273.013 9.97038e+01 273.013 0.8423 
1 1 1 9  7  2  o 7  2.64672e+02 1.49638e+01 1.63952e+02 100.186 -6.57740e-01 3.66069e+00  0.00000e+00 0.00000e+00 9.24896e+01 100.186 7.14622e+01 280.186 0.8518 
1 1 1 9  7  3  o 8  1.60940e+02 1.44705e+01 3.04471e+01 39.856  3.18963e-01  2.66276e-01  0.00000e+00 0.00000e+00 6.83437e+00 39.856  2.36127e+01 219.856 0.2034 
1 1 1 9  7  4  f 0  2.06747e+02 1.18979e+01 1.79737e+02 229.810 -2.59118e+00 -3.06736e+00 0.00000e+00 0.00000e+00 2.40945e+01 229.810 1.55642e+02 49.810  0.8641 
1 1 1 9  7  5  o 14 1.18369e+02 1.26764e+01 9.90399e+01 148.973 -1.06315e+00 6.39487e-01  0.00000e+00 0.00000e+00 2.79506e+01 328.973 1.26991e+02 328.973 0.5252 
1 1 1 9  7  6  o 15 2.04144e+02 1.21032e+01 7.94254e+01 83.851  2.17651e-01  2.02031e+00  0.00000e+00 0.00000e+00 8.51329e+01 83.851  5.70747e+00 83.851  0.7030 
1 1 1 9  7  7  o 17 2.15513e+02 1.23645e+01 1.95770e+02 337.081 4.74012e+00  -2.00414e+00 0.00000e+00 0.00000e+00 2.65519e+01 337.081 1.69219e+02 157.081 0.8967 
1 1 1 9  7  8  o 12 3.95201e+02 1.21569e+01 3.36598e+02 267.277 -8.50775e-01 -1.78895e+01 0.00000e+00 0.00000e+00 1.06863e+02 267.277 2.29735e+02 87.277  0.9717 
1 1 1 9  7  9  o 2  3.62978e+02 1.18624e+01 2.88699e+02 43.865  8.17508e+00  7.85736e+00  0.00000e+00 0.00000e+00 1.13265e+02 43.865  1.75434e+02 223.865 0.9548 
1 1 1 9  7  10 o 9  3.40167e+02 1.17271e+01 2.89786e+02 45.135  9.32498e+00  9.36908e+00  0.00000e+00 0.00000e+00 9.13302e+01 45.135  1.98456e+02 225.135 0.9614 
1 1 1 9  7  11 o 1  2.13642e+02 1.30652e+01 1.26169e+02 199.522 -4.18465e+00 -1.48371e+00 0.00000e+00 0.00000e+00 9.37221e+01 199.522 3.24470e+01 19.523  0.8785 
1 1 1 9  7  12 o 16 2.97959e+02 1.19810e+01 2.33613e+02 184.042 -1.07572e+01 -7.60079e-01 0.00000e+00 0.00000e+00 1.00794e+02 184.042 1.32818e+02 4.042   0.9524 
1 1 1 9  7  13 o 13 2.41960e+02 1.22886e+01 1.47439e+02 337.658 5.49276e+00  -2.25744e+00 0.00000e+00 0.00000e+00 1.14058e+02 337.658 3.33814e+01 157.658 0.9114 
1 1 1 9  7  14 o 1  1.12884e+02 1.67581e+01 1.15587e+02 55.241  1.29248e+00  1.86248e+00  0.00000e+00 0.00000e+00 1.62461e+01 235.241 1.31834e+02 235.241 0.7371 
1 1 1 9  7  15 o 6  4.06173e+02 1.91293e+01 1.90527e+02 116.872 -6.89510e+00 1.36073e+01  0.00000e+00 0.00000e+00 2.81677e+02 116.872 9.11503e+01 116.872 0.9666 
1 1 1 9  7  16 o 2  1.28190e+02 2.26087e+01 5.13762e+01 190.995 -1.13773e+00 -2.21043e-01 0.00000e+00 0.00000e+00 2.62994e+01 190.995 2.50768e+01 10.995  0.4999 
1 1 1 9  7  17 o 18 3.96300e+02 1.39355e+01 1.89078e+02 296.505 4.79317e+00  -9.61156e+00 0.00000e+00 0.00000e+00 2.72169e+02 296.505 8.30906e+01 296.505 0.9522 
1 1 1 9  7  18 o 15 1.41452e+02 1.90674e+01 3.78899e+01 112.009 -3.01899e-01 7.46873e-01  0.00000e+00 0.00000e+00 2.72215e+01 112.009 1.06684e+01 292.009 0.3733 
1 1 1 9  7  20 o 13 2.88757e+02 1.72376e+01 1.31803e+02 77.882  1.38279e+00  6.44043e+00  0.00000e+00 0.00000e+00 2.02335e+02 77.882  7.05319e+01 77.882  0.9206 
1 1 1 9  7  21 o 12 2.49411e+02 3.53515e+01 1.22925e+02 230.859 -4.00530e+00 -4.92125e+00 0.00000e+00 0.00000e+00 1.67669e+02 230.859 4.47432e+01 230.859 0.9174 
1 1 1 9  7  22 o 11 2.34572e+02 3.85996e+01 1.46556e+02 247.159 -3.04069e+00 -7.21914e+00 0.00000e+00 0.00000e+00 1.34664e+02 247.159 1.18915e+01 67.159  0.9338 
1 1 1 9  7  23 o 11 4.97526e+01 2.34321e+01 5.82958e+01 68.573  3.21208e-01  8.18485e-01  0.00000e+00 0.00000e+00 3.23264e+01 248.573 9.06222e+01 248.573 0.4020 
1 1 1 9  7  24 f 0  7.24858e+01 2.91730e+01 2.69319e+01 324.916 5.89592e-01  -4.14119e-01 0.00000e+00 0.00000e+00 5.33047e+00 324.916 2.16015e+01 144.916 0.3387 
1 1 1 9  7  25 o 17 5.83157e+01 2.67621e+01 4.42985e+01 318.370 8.44252e-01  -7.50359e-01 0.00000e+00 0.00000e+00 6.25368e+00 138.370 5.05522e+01 138.370 0.4904 
1 1 1 9  7  26 o 10 6.73237e+01 2.92141e+01 5.64043e+01 26.289  1.57721e+00  7.79122e-01  0.00000e+00 0.00000e+00 2.92648e+00 26.289  5.34778e+01 206.289 0.6540 
1 1 1 9  7  27 o 8  1.27271e+02 2.59078e+01 6.12952e+01 95.279  -3.43239e-01 3.71509e+00  0.00000e+00 0.00000e+00 8.68467e+01 95.279  2.55515e+01 95.279  0.8523 
1 1 1 9  7  28 o 11 9.10096e+01 2.85190e+01 2.08093e+01 151.043 -1.00051e+00 5.53605e-01  0.00000e+00 0.00000e+00 4.15629e+01 151.043 2.07535e+01 151.043 0.4949 
1 1 1 9  7  29 o 17 6.29106e+01 2.70954e+01 2.67336e+01 235.025 -7.39901e-01 -1.05765e+00 0.00000e+00 0.00000e+00 2.09898e+01 235.025 5.74384e+00 55.025  0.5400 
1 1 1 9  7  30 o 14 8.88456e+01 2.97894e+01 7.08139e+01 72.464  1.59288e+00  5.04106e+00  0.00000e+00 0.00000e+00 4.31529e+01 72.464  2.76610e+01 252.464 0.8996 
1 1 1 9  7  31 o 8  5.89181e+01 2.75560e+01 1.00689e+01 173.046 -5.50891e-01 6.71939e-02  0.00000e+00 0.00000e+00 1.27369e+01 173.046 2.66796e+00 173.046 0.2673 
1 1 1 9  7  32 o 5  7.22956e+01 3.00319e+01 6.86853e+01 248.694 -1.69809e+00 -4.35407e+00 0.00000e+00 0.00000e+00 2.54642e+01 248.694 4.32211e+01 68.694  0.8852 
1 1 1 9  7  33 o 13 7.25839e+01 2.98533e+01 2.86087e+01 311.404 1.40898e+00  -1.59797e+00 0.00000e+00 0.00000e+00 4.93355e+01 311.404 2.07268e+01 311.404 0.7181 
1 1 1 9  7  34 o 12 7.31344e+01 3.15583e+01 2.44533e+01 166.353 -1.82041e+00 4.41997e-01  0.00000e+00 0.00000e+00 5.07217e+01 166.353 2.62684e+01 166.353 0.6758 
1 1 1 9  7  35 o 14 4.77820e+01 2.33960e+01 1.37491e+01 266.886 -5.96963e-02 -1.09725e+00 0.00000e+00 0.00000e+00 2.17709e+01 266.886 8.02174e+00 266.886 0.4803 
1 1 1 9  8  0  o 4  7.27122e+01 2.78181e+01 2.65645e+00 90.000  6.29912e-19  1.02872e-02  0.00000e+00 0.00000e+00 1.79966e+00 270.000 4.45610e+00 270.000 0.0103 
1 1 1 9  8  1  o 2  5.12689e+02 1.92840e+01 2.47766e+02 21.363  1.25851e+01  4.92269e+00  0.00000e+00 0.00000e+00 3.17481e+02 21.363  6.97145e+01 21.363  0.9623 
1 1 1 9  8  2  o 6  2.18641e+02 1.19718e+01 5.76356e+01 155.828 -1.23221e+00 5.53056e-01  0.00000e+00 0.00000e+00 8.19997e+01 155.828 2.43641e+01 155.828 0.5570 
1 1 1 9  8  3  o 4  8.61024e+01 1.74467e+01 1.20178e+01 124.073 -6.08705e-02 8.99956e-02  0.00000e+00 0.00000e+00 6.65568e+00 304.073 1.86735e+01 304.073 0.0542 
1 1 1 9  8  4  o 4  1.83872e+02 1.19243e+01 3.98238e+01 32.436  6.45632e-01  4.10301e-01  0.00000e+00 0.00000e+00 3.56689e+01 32.436  4.15496e+00 212.436 0.3570 
1 1 1 9  8  5  o 12 1.74239e+02 1.21225e+01 1.09122e+02 143.688 -1.90201e+00 1.39778e+00  0.00000e+00 0.00000e+00 4.12959e+01 143.688 6.78260e+01 323.688 0.7489 
1 1 1 9  8  6  o 11 3.15634e+02 1.29585e+01 1.36991e+02 3.475   5.23284e+00  3.17742e-01  0.00000e+00 0.00000e+00 1.90903e+02 3.475   5.39125e+01 3.475   0.8987 
1 1 1 9  8  7  o 12 4.49551e+02 1.48585e+01 1.93054e+02 75.303  2.94529e+00  1.12293e+01  0.00000e+00 0.00000e+00 3.05309e+02 75.303  1.12255e+02 75.303  0.9559 
1 1 1 9  8  8  o 5  5.27021e+02 1.39752e+01 3.44602e+02 284.838 5.03039e+00  -1.89887e+01 0.00000e+00 0.00000e+00 2.53080e+02 284.838 9.15213e+01 104.838 0.9742 
1 1 1 9  8  9  o 5  2.90201e+02 1.12763e+01 1.95818e+02 184.473 -7.65341e+00 -5.98708e-01 0.00000e+00 0.00000e+00 1.20520e+02 184.473 7.52980e+01 4.473   0.9324 
1 1 1 9  8  10 o 15 1.82271e+02 1.32897e+01 5.42178e+01 11.738  1.60828e+00  3.34177e-01  0.00000e+00 0.00000e+00 8.05618e+01 11.738  2.63441e+01 11.738  0.6295 
1 1 1 9  8  11 o 5  2.29914e+02 1.34759e+01 2.56474e+02 0.552   9.21770e+00  8.87839e-02  0.00000e+00 0.00000e+00 1.34340e-01 180.552 2.56608e+02 180.552 0.9441 
1 1 1 9  8  12 o 7  4.53804e+02 1.33711e+01 2.24758e+02 182.605 -1.71689e+01 -7.81144e-01 0.00000e+00 0.00000e+00 2.98358e+02 182.605 7.35998e+01 182.605 0.9705 
1 1 1 9  8  13 o 6  3.98733e+01 1.72428e+01 4.80031e+01 203.136 -2.90841e-01 -1.24272e-01 0.00000e+00 0.00000e+00 4.05586e+01 23.136  8.85617e+01 23.136  0.1562 
1 1 1 9  8  14 o 12 5.21143e+02 1.67007e+01 2.76453e+02 18.795  2.76729e+01  9.41789e+00  0.00000e+00 0.00000e+00 3.39923e+02 18.795  6.34698e+01 18.795  0.9827 
1 1 1 9  8  15 o 15 4.08933e+02 1.53355e+01 1.54505e+02 61.609  5.60048e+00  1.03618e+01  0.00000e+00 0.00000e+00 3.19724e+02 61.609  1.65219e+02 61.609  0.9566 
1 1 1 9  8  16 o 1  1.60452e+02 3.80116e+01 1.17350e+02 254.581 -8.43004e-01 -3.05666e+00 0.00000e+00 0.00000e+00 4.37748e+01 254.581 7.35752e+01 74.582  0.8219 
1 1 1 9  8  17 o 9  3.89470e+02 1.60387e+01 2.19860e+02 104.810 -3.07134e+00 1.16163e+01  0.00000e+00 0.00000e+00 2.39569e+02 104.810 1.97089e+01 104.810 0.9574 
1 1 1 9  8  18 o 18 2.43086e+02 1.50413e+01 9.34620e+01 84.260  4.23442e-01  4.21263e+00  0.00000e+00 0.00000e+00 1.70000e+02 84.260  7.65385e+01 84.260  0.8719 
1 1 1 9  8  19 o 18 2.76183e+02 1.94840e+01 9.74212e+01 308.684 2.90101e+00  -3.62309e+00 0.00000e+00 0.00000e+00 2.09014e+02 308.684 1.11592e+02 308.684 0.8843 
1 1 1 9  8  21 o 3  8.38851e+01 2.88060e+01 1.10540e+02 102.445 -4.78723e-01 2.16921e+00  0.00000e+00 0.00000e+00 3.20396e+01 282.445 1.42580e+02 282.445 0.7310 
1 1 1 9  8  23 o 10 2.02187e+02 2.60710e+01 1.26886e+02 227.638 -6.31835e+00 -6.92872e+00 0.00000e+00 0.00000e+00 1.23227e+02 227.638 3.65859e+00 47.638  0.9451 
1 1 1 9  8  24 o 10 1.97069e+02 4.43872e+01 1.16518e+02 99.309  -1.05857e+00 6.45789e+00  0.00000e+00 0.00000e+00 1.23642e+02 99.309  7.12475e+00 99.309  0.9201 
1 1 1 9  8  25 o 6  1.01173e+02 2.94098e+01 4.27691e+01 60.773  8.96142e-01  1.60166e+00  0.00000e+00 0.00000e+00 4.79685e+01 60.773  5.19939e+00 60.773  0.6688 
1 1 1 9  8  26 o 16 8.28361e+01 3.16967e+01 3.95844e+01 247.650 -5.67883e-01 -1.38120e+00 0.00000e+00 0.00000e+00 2.73092e+01 247.650 1.22752e+01 67.650  0.5945 
1 1 1 9  8  27 o 6  5.72652e+01 2.45575e+01 3.69913e+01 347.720 1.22482e+00  -2.66605e-01 0.00000e+00 0.00000e+00 4.71504e+00 347.720 3.22762e+01 167.720 0.5290 
1 1 1 9  8  28 o 14 6.40146e+01 2.79408e+01 3.87028e+01 299.714 7.94215e-01  -1.39161e+00 0.00000e+00 0.00000e+00 1.67359e+01 299.714 2.19670e+01 119.714 0.6204 
1 1 1 9  8  29 o 3  9.08449e+01 3.04769e+01 5.14200e+01 307.702 2.05471e+00  -2.65831e+00 0.00000e+00 0.00000e+00 5.57960e+01 307.702 4.37599e+00 307.702 0.8334 
1 1 1 9  8  30 o 7  4.59336e+01 2.19253e+01 2.56505e+01 35.598  1.03055e+00  7.37751e-01  0.00000e+00 0.00000e+00 9.54929e+00 35.598  1.61012e+01 215.598 0.5332 
1 1 1 9  8  31 o 18 7.18853e+01 2.92611e+01 3.67184e+01 120.248 -1.18229e+00 2.02748e+00  0.00000e+00 0.00000e+00 4.16884e+01 120.248 4.97004e+00 120.248 0.7473 
1 1 1 9  8  32 o 5  6.97868e+01 3.13182e+01 3.88192e+01 158.476 -2.39247e+00 9.43583e-01  0.00000e+00 0.00000e+00 4.11368e+01 158.476 2.31751e+00 158.476 0.7726 
1 1 1 9  8  33 o 5  6.69180e+01 2.92549e+01 2.83587e+01 110.960 -7.11655e-01 1.85779e+00  0.00000e+00 0.00000e+00 4.18547e+01 110.960 1.34960e+01 110.960 0.6960 
1 1 1 9  8  34 o 16 5.55571e+01 2.60643e+01 1.34434e+01 206.858 -9.22710e-01 -4.67277e-01 0.00000e+00 0.00000e+00 2.56026e+01 206.858 1.21591e+01 206.858 0.4584 
1 1 1 9  8  35 o 8  5.96194e+01 2.79853e+01 2.08379e+01 283.547 3.83577e-01  -1.59192e+00 0.00000e+00 0.00000e+00 3.76030e+01 283.547 1.67651e+01 283.547 0.6283 
1 1 1 9  9  0  f 0  3.73858e+02 2.38657e+01 1.84396e+02 270.000 -2.63393e-16 -4.30153e+00 0.00000e+00 0.00000e+00 2.47587e+02 270.000 6.31902e+01 270.000 0.9996 
1 1 1 9  9  1  o 7  8.34817e+02 2.21084e+01 4.17853e+02 78.307  8.67728e+00  4.19251e+01  0.00000e+00 0.00000e+00 5.36014e+02 78.307  1.18162e+02 78.307  0.9883 
1 1 1 9  9  2  o 11 1.37708e+02 1.23580e+01 8.05362e+00 44.655  9.85821e-02  9.74007e-02  0.00000e+00 0.00000e+00 2.96067e+00 44.655  5.09295e+00 224.655 0.0691 
1 1 1 9  9  3  o 15 2.51268e+02 1.51879e+01 1.03298e+02 281.701 6.47494e-01  -3.12624e+00 0.00000e+00 0.00000e+00 1.36356e+02 281.701 3.30578e+01 281.701 0.8233 
1 1 1 9  9  4  o 8  2.88108e+02 1.56364e+01 1.19927e+02 326.221 3.48012e+00  -2.32793e+00 0.00000e+00 0.00000e+00 1.71090e+02 326.221 5.11631e+01 326.221 0.8703 
1 1 1 9  9  5  o 9  1.54689e+02 1.26130e+01 1.09024e+02 337.532 2.12104e+00  -8.77170e-01 0.00000e+00 0.00000e+00 2.42668e+01 337.532 8.47571e+01 157.532 0.7408 
1 1 1 9  9  6  o 5  2.06343e+02 1.24135e+01 8.56684e+01 13.447  2.29232e+00  5.48111e-01  0.00000e+00 0.00000e+00 9.44846e+01 13.447  8.81616e+00 13.447  0.7485 
1 1 1 9  9  7  o 2  4.68623e+02 1.52449e+01 2.89747e+02 213.912 -1.21076e+01 -8.13950e+00 0.00000e+00 0.00000e+00 2.39526e+02 213.912 5.02208e+01 33.912  0.9651 
1 1 1 9  9  8  o 5  3.91640e+02 1.42124e+01 2.67830e+02 74.433  3.77860e+00  1.35634e+01  0.00000e+00 0.00000e+00 1.75580e+02 74.433  9.22502e+01 254.433 0.9638 
1 1 1 9  9  9  o 1  4.77734e+02 1.33503e+01 2.57052e+02 45.279  1.44040e+01  1.45452e+01  0.00000e+00 0.00000e+00 2.92611e+02 45.279  3.55594e+01 45.279  0.9753 
1 1 1 9  9  10 o 8  2.35695e+02 1.31726e+01 2.64574e+02 217.248 -7.81419e+00 -5.94158e+00 0.00000e+00 0.00000e+00 1.85185e-01 217.248 2.64388e+02 37.248  0.9476 
1 1 1 9  9  11 f 0  4.28581e+02 1.30603e+01 2.41156e+02 161.226 -1.66533e+01 5.66086e+00  0.00000e+00 0.00000e+00 2.54851e+02 161.226 1.36957e+01 161.226 0.9711 
1 1 1 9  9  12 o 1  4.39330e+02 1.33475e+01 1.88589e+02 348.727 1.37454e+01  -2.73994e+00 0.00000e+00 0.00000e+00 3.18863e+02 348.727 1.30273e+02 348.727 0.9636 
1 1 1 9  9  13 o 3  4.57542e+02 1.37023e+01 2.85983e+02 326.905 1.91174e+01  -1.24603e+01 0.00000e+00 0.00000e+00 2.53684e+02 326.905 3.22989e+01 146.905 0.9778 
1 1 1 9  9  14 o 16 1.29928e+02 1.72069e+01 5.54214e+01 133.891 -9.38774e-01 9.75828e-01  0.00000e+00 0.00000e+00 3.26176e+01 133.891 2.28038e+01 313.891 0.5579 
1 1 1 9  9  15 o 7  3.26175e+02 1.32637e+01 1.29874e+02 235.792 -4.34823e+00 -6.39641e+00 0.00000e+00 0.00000e+00 2.42392e+02 235.792 1.12517e+02 235.792 0.9329 
1 1 1 9  9  16 o 3  3.25811e+02 1.66747e+01 1.11037e+02 356.696 5.15474e+00  -2.97556e-01 0.00000e+00 0.00000e+00 2.49320e+02 356.696 1.38283e+02 356.696 0.8970 
1 1 1 9  9  18 o 14 5.58535e+02 1.83249e+01 2.12045e+02 88.166  6.33991e-01  1.98050e+01  0.00000e+00 0.00000e+00 4.70616e+02 88.166  2.58571e+02 88.166  0.9744 
1 1 1 9  9  19 o 2  1.64246e+02 5.25605e+01 8.60558e+01 44.665  1.37983e+00  1.36379e+00  0.00000e+00 0.00000e+00 5.69452e+01 44.665  2.91106e+01 224.665 0.6877 
1 1 1 9  9  20 o 6  2.43251e+02 4.82114e+01 1.47242e+02 246.385 -2.61884e+00 -5.99011e+00 0.00000e+00 0.00000e+00 1.38885e+02 246.385 8.35751e+00 66.385  0.9200 
1 1 1 9  9  21 o 15 1.24751e+02 2.86103e+01 1.20064e+02 263.158 -4.85955e-01 -4.05002e+00 0.00000e+00 0.00000e+00 1.95821e+01 263.158 1.00482e+02 83.158  0.8665 
1 1 1 9  9  22 o 4  1.89453e+02 6.21287e+01 1.58826e+02 39.765  4.16265e+00  3.46391e+00  0.00000e+00 0.00000e+00 6.43929e+01 39.765  9.44331e+01 219.765 0.9022 
1 1 1 9  9  23 o 12 6.37832e+01 2.71052e+01 5.27504e+01 115.966 -5.65710e-01 1.16164e+00  0.00000e+00 0.00000e+00 7.22482e+00 295.966 5.99752e+01 295.966 0.5404 
1 1 1 9  9  24 o 2  1.19915e+02 3.43803e+01 4.74015e+01 230.956 -1.16378e+00 -1.43489e+00 0.00000e+00 0.00000e+00 6.01571e+01 230.956 1.27556e+01 230.956 0.6711 
1 1 1 9  9  25 o 9  8.27369e+01 3.02851e+01 3.25289e+01 113.893 -5.00294e-01 1.12935e+00  0.00000e+00 0.00000e+00 2.60884e+01 113.893 6.44050e+00 293.893 0.5236 
1 1 1 9  9  26 f 0  6.82759e+01 2.86784e+01 3.27067e+01 196.081 -9.42047e-01 -2.71567e-01 0.00000e+00 0.00000e+00 8.41641e+00 196.081 2.42903e+01 16.081  0.4394 
1 1 1 9  9  27 o 3  9.38225e+01 2.78650e+01 6.98119e+01 279.567 6.42948e-01  -3.81485e+00 0.00000e+00 0.00000e+00 4.20526e+01 279.567 2.77593e+01 99.567  0.8583 
1 1 1 9  9  28 o 17 7.19270e+01 2.80523e+01 3.52586e+01 69.684  6.22776e-01  1.68213e+00  0.00000e+00 0.00000e+00 3.16922e+01 69.684  3.56641e+00 249.684 0.6608 
1 1 1 9  9  29 f 0  5.55836e+01 2.49363e+01 5.28025e+01 101.624 -5.57852e-01 2.71190e+00  0.00000e+00 0.00000e+00 1.00496e+01 101.624 4.27529e+01 281.624 0.7913 
1 1 1 9  9  30 o 2  8.66354e+01 3.00247e+01 5.01318e+01 251.752 -1.13482e+00 -3.44190e+00 0.00000e+00 0.00000e+00 5.63404e+01 251.752 6.20861e+00 251.752 0.8473 
1 1 1 9  9  31 o 17 5.90038e+01 2.73375e+01 4.13177e+01 297.042 1.08835e+00  -2.13216e+00 0.00000e+00 0.00000e+00 2.41169e+01 297.042 1.72008e+01 117.042 0.7529 
1 1 1 9  9  32 f 0  9.61197e+01 3.66933e+01 4.82581e+01 54.891  1.97845e+00  2.81414e+00  0.00000e+00 0.00000e+00 7.22663e+01 54.891  2.40083e+01 54.891  0.8379 
1 1 1 9  9  33 o 6  8.29433e+01 3.19365e+01 4.01686e+01 117.084 -1.47767e+00 2.88956e+00  0.00000e+00 0.00000e+00 6.41277e+01 117.084 2.39591e+01 117.084 0.8266 
1 1 1 9  9  34 o 15 5.88837e+01 2.72367e+01 9.72892e+00 315.609 5.37691e-01  -5.26371e-01 0.00000e+00 0.00000e+00 2.23280e+01 315.609 1.25991e+01 315.609 0.3519 
1 1 1 9  9  35 o 14 6.06519e+01 2.82957e+01 1.96478e+01 11.326  1.50376e+00  3.01197e-01  0.00000e+00 0.00000e+00 3.80558e+01 11.326  1.84080e+01 11.326  0.6043 
1 1 1 9  10 0  o 14 5.34581e+01 2.74353e+01 6.70669e+00 90.000  1.48382e-18  2.42327e-02  0.00000e+00 0.00000e+00 5.19435e+00 270.000 1.19010e+01 270.000 0.0242 
1 1 1 9  10 1  o 11 1.77981e+02 1.21600e+01 6.37659e+01 286.357 4.39144e-01  -1.49618e+00 0.00000e+00 0.00000e+00 6.31317e+01 286.357 6.34190e-01 106.357 0.6105 
1 1 1 9  10 2  o 7  2.76791e+02 1.54459e+01 1.97061e+02 279.123 1.17286e+00  -7.30361e+00 0.00000e+00 0.00000e+00 1.03727e+02 279.123 9.33344e+01 99.123  0.9297 
1 1 1 9  10 3  o 2  1.63670e+02 1.23392e+01 1.32415e+02 318.170 2.18413e+00  -1.95490e+00 0.00000e+00 0.00000e+00 2.17348e+01 318.170 1.10680e+02 138.170 0.8048 
1 1 1 9  10 4  f 0  6.54068e+02 2.26756e+01 2.81477e+02 5.117   1.98369e+01  1.77625e+00  0.00000e+00 0.00000e+00 4.65837e+02 5.117   1.84360e+02 5.117   0.9746 
1 1 1 9  10 5  o 6  3.01223e+02 1.29318e+01 2.66191e+01 83.473  9.91511e-02  8.66672e-01  0.00000e+00 0.00000e+00 1.14724e+02 83.473  8.81049e+01 83.473  0.3993 
1 1 1 9  10 6  o 19 5.29308e+02 1.62071e+01 3.15565e+02 189.353 -2.23512e+01 -3.68141e+00 0.00000e+00 0.00000e+00 2.94201e+02 189.353 2.13635e+01 9.353   0.9777 
1 1 1 9  10 7  o 9  4.64200e+02 1.52507e+01 1.80711e+02 256.356 -2.63026e+00 -1.08358e+01 0.00000e+00 0.00000e+00 3.42841e+02 256.356 1.62131e+02 256.356 0.9540 
1 1 1 9  10 8  o 15 1.83168e+02 1.31718e+01 1.46188e+02 6.772   4.41858e+00  5.24692e-01  0.00000e+00 0.00000e+00 4.48341e+01 6.772   1.01354e+02 186.772 0.8788 
1 1 1 9  10 9  o 8  6.68532e+02 1.63466e+01 3.86343e+02 53.002  2.42525e+01  3.21870e+01  0.00000e+00 0.00000e+00 4.00441e+02 53.002  1.40981e+01 53.002  0.9875 
1 1 1 9  10 10 o 14 1.96483e+02 1.35910e+01 1.53082e+02 319.298 3.88706e+00  -3.34364e+00 0.00000e+00 0.00000e+00 5.77937e+01 319.298 9.52882e+01 139.298 0.8963 
1 1 1 9  10 11 o 9  3.53341e+02 1.23554e+01 1.94064e+02 194.038 -1.13510e+01 -2.83804e+00 0.00000e+00 0.00000e+00 2.12699e+02 194.038 1.86342e+01 194.038 0.9563 
1 1 1 9  10 12 o 19 1.36787e+02 1.39367e+01 7.01480e+01 211.777 -1.43389e+00 -8.88261e-01 0.00000e+00 0.00000e+00 3.56915e+01 211.777 3.44565e+01 31.777  0.6390 
1 1 1 9  10 13 o 5  2.41489e+02 1.27548e+01 1.04987e+02 20.562  4.83494e+00  1.81369e+00  0.00000e+00 0.00000e+00 1.58976e+02 20.562  5.39890e+01 20.562  0.8971 
1 1 1 9  10 14 o 14 1.92108e+02 1.47424e+01 1.00055e+02 185.243 -3.52393e+00 -3.23384e-01 0.00000e+00 0.00000e+00 9.86503e+01 185.243 1.40473e+00 5.243   0.8431 
1 1 1 9  10 15 o 11 1.37860e+02 1.61336e+01 1.20717e+02 93.463  -1.92027e-01 3.17346e+00  0.00000e+00 0.00000e+00 1.93990e+01 93.463  1.01318e+02 273.463 0.8224 
1 1 1 9  10 16 o 8  3.34842e+02 2.03157e+01 2.26863e+02 43.195  8.46328e+00  7.94603e+00  0.00000e+00 0.00000e+00 1.71806e+02 43.195  5.50570e+01 223.195 0.9559 
1 1 1 9  10 17 o 14 1.70222e+02 2.22750e+01 5.84832e+01 59.391  8.48282e-01  1.43384e+00  0.00000e+00 0.00000e+00 7.71804e+01 59.391  1.86972e+01 59.391  0.6346 
1 1 1 9  10 18 o 5  1.68205e+02 1.73323e+01 4.65600e+01 250.544 -4.55665e-01 -1.28993e+00 0.00000e+00 0.00000e+00 7.31718e+01 250.544 2.66119e+01 250.544 0.5618 
1 1 1 9  10 19 f 0  1.61491e+02 5.26102e+01 1.35148e+02 275.417 3.22824e-01  -3.40456e+00 0.00000e+00 0.00000e+00 3.76858e+01 275.417 9.74618e+01 95.417  0.8368 
1 1 1 9  10 21 o 5  2.03529e+02 2.14037e+01 1.26619e+02 25.090  6.25475e+00  2.92865e+00  0.00000e+00 0.00000e+00 1.18929e+02 25.090  7.68955e+00 205.090 0.9245 
1 1 1 9  10 22 o 17 1.90634e+02 5.89894e+01 1.24515e+02 192.511 -5.08109e+00 -1.12747e+00 0.00000e+00 0.00000e+00 1.01306e+02 192.511 2.32089e+01 12.511  0.8979 
1 1 1 9  10 23 o 13 1.83140e+02 2.18039e+01 9.55254e+01 120.762 -3.58785e+00 6.02781e+00  0.00000e+00 0.00000e+00 1.30681e+02 120.762 3.51556e+01 120.762 0.9257 
1 1 1 9  10 24 o 6  1.61752e+02 4.17294e+01 1.21829e+02 40.282  5.05317e+00  4.28272e+00  0.00000e+00 0.00000e+00 7.93340e+01 40.282  4.24946e+01 220.282 0.9211 
1 1 1 9  10 25 o 4  9.15075e+01 3.13680e+01 5.82911e+01 215.493 -2.00639e+00 -1.43075e+00 0.00000e+00 0.00000e+00 3.69096e+01 215.493 2.13814e+01 35.493  0.7611 
1 1 1 9  10 26 o 7  7.76045e+01 2.71166e+01 6.36357e+01 224.207 -1.66463e+00 -1.61920e+00 0.00000e+00 0.00000e+00 1.63344e+01 224.207 4.73013e+01 44.207  0.7442 
1 1 1 9  10 27 o 5  5.81857e+01 2.52054e+01 1.60691e+01 347.696 5.98073e-01  -1.30439e-01 0.00000e+00 0.00000e+00 7.82033e+00 347.696 8.24878e+00 167.696 0.2926 
1 1 1 9  10 28 o 11 5.03584e+01 2.33645e+01 3.64734e+01 303.054 8.58736e-01  -1.31962e+00 0.00000e+00 0.00000e+00 7.52346e+00 303.054 2.89499e+01 123.054 0.6140 
1 1 1 9  10 29 o 4  6.36049e+01 2.69297e+01 8.83154e+00 26.601  4.67698e-01  2.34218e-01  0.00000e+00 0.00000e+00 1.43957e+01 26.601  5.56420e+00 26.601  0.2530 
1 1 1 9  10 30 o 16 6.58988e+01 2.82948e+01 4.06115e+01 95.958  -2.52794e-01 2.42225e+00  0.00000e+00 0.00000e+00 3.25544e+01 95.958  8.05712e+00 275.958 0.7578 
1 1 1 9  10 31 o 6  6.07434e+01 2.69814e+01 2.19365e+01 54.170  8.34088e-01  1.15520e+00  0.00000e+00 0.00000e+00 3.02117e+01 54.170  8.27513e+00 54.170  0.5770 
1 1 1 9  10 32 o 3  7.32835e+01 3.23130e+01 1.95390e+01 262.294 -1.69064e-01 -1.24944e+00 0.00000e+00 0.00000e+00 3.93107e+01 262.294 1.97717e+01 262.294 0.5312 
1 1 1 9  10 33 o 7  5.15263e+01 2.45489e+01 1.89985e+01 291.317 5.41287e-01  -1.38709e+00 0.00000e+00 0.00000e+00 2.79861e+01 291.317 8.98763e+00 291.317 0.5934 
1 1 1 9  10 34 o 15 4.99758e+01 2.46775e+01 1.39023e+01 357.249 1.07166e+00  -5.14990e-02 0.00000e+00 0.00000e+00 2.29342e+01 357.249 9.03192e+00 357.249 0.4716 
1 1 1 9  11 0  f 0  3.76045e+01 2.28414e+01 1.16346e+02 270.000 -1.45789e-17 -2.38091e-01 0.00000e+00 0.00000e+00 1.05970e+02 90.000  2.22316e+02 90.000  0.2337 
1 1 1 9  11 1  o 8  2.35834e+02 1.22413e+01 2.32972e+02 255.827 -1.47197e+00 -5.82886e+00 0.00000e+00 0.00000e+00 2.12128e+01 255.827 2.11759e+02 75.827  0.9125 
1 1 1 9  11 2  o 10 3.39225e+02 1.32638e+01 1.14002e+02 229.966 -2.70260e+00 -3.21692e+00 0.00000e+00 0.00000e+00 2.35177e+02 229.966 1.21176e+02 229.966 0.8708 
1 1 1 9  11 3  f 0  1.83674e+02 1.22948e+01 9.73529e+01 227.035 -1.31429e+00 -1.41114e+00 0.00000e+00 0.00000e+00 5.16935e+01 227.035 4.56595e+01 47.035  0.6857 
1 1 1 9  11 4  o 9  1.52079e+02 1.60698e+01 8.95238e+01 174.210 -1.83317e+00 1.85870e-01  0.00000e+00 0.00000e+00 3.13062e+01 174.210 5.82176e+01 354.210 0.6701 
1 1 1 9  11 6  o 3  2.76408e+02 1.29409e+01 1.67559e+02 333.972 6.99769e+00  -3.41720e+00 0.00000e+00 0.00000e+00 1.39865e+02 333.972 2.76945e+01 153.972 0.9334 
1 1 1 9  11 7  o 1  1.50753e+02 1.35764e+01 4.52427e+01 157.440 -1.03519e+00 4.30054e-01  0.00000e+00 0.00000e+00 4.26366e+01 157.440 2.60618e+00 337.440 0.4876 
1 1 1 9  11 8  o 5  2.07634e+02 1.33888e+01 8.23190e+01 51.830  1.65141e+00  2.10084e+00  0.00000e+00 0.00000e+00 1.12653e+02 51.830  3.03341e+01 51.830  0.7825 
1 1 1 9  11 9  f 0  2.87583e+02 1.73485e+01 2.78478e+01 181.283 -1.34499e+00 -3.01135e-02 0.00000e+00 0.00000e+00 1.64686e+02 181.283 1.36838e+02 181.283 0.5555 
1 1 1 9  11 10 o 9  3.50408e+02 1.42013e+01 1.55035e+02 289.346 3.05655e+00  -8.70560e+00 0.00000e+00 0.00000e+00 2.45597e+02 289.346 9.05619e+01 289.346 0.9441 
1 1 1 9  11 11 o 4  4.92975e+02 1.40088e+01 1.44886e+02 334.201 1.13386e+01  -5.48115e+00 0.00000e+00 0.00000e+00 4.30918e+02 334.201 2.86032e+02 334.201 0.9594 
1 1 1 9  11 12 o 12 1.80493e+02 1.28379e+01 5.19847e+01 303.994 1.07456e+00  -1.59348e+00 0.00000e+00 0.00000e+00 9.93035e+01 303.994 4.73189e+01 303.994 0.6845 
1 1 1 9  11 13 o 4  5.31462e+02 1.67212e+01 2.21377e+02 172.345 -2.14923e+01 2.88853e+00  0.00000e+00 0.00000e+00 4.18221e+02 172.345 1.96844e+02 172.345 0.9767 
1 1 1 9  11 14 o 12 7.79346e+02 2.14050e+01 3.01542e+02 37.811  3.50051e+01  2.71637e+01  0.00000e+00 0.00000e+00 6.54375e+02 37.811  3.52833e+02 37.811  0.9887 
1 1 1 9  11 15 o 14 2.63823e+02 1.36122e+01 1.39928e+02 342.504 5.56782e+00  -1.75510e+00 0.00000e+00 0.00000e+00 1.60033e+02 342.504 2.01044e+01 342.504 0.9098 
1 1 1 9  11 16 o 14 3.57521e+02 1.56553e+01 1.67835e+02 112.269 -4.29395e+00 1.04860e+01  0.00000e+00 0.00000e+00 2.62128e+02 112.269 9.42925e+01 112.269 0.9548 
1 1 1 9  11 17 o 11 8.65246e+01 3.00967e+01 1.10033e+02 109.803 -5.35433e-01 1.48700e+00  0.00000e+00 0.00000e+00 4.24045e+01 289.803 1.52438e+02 289.803 0.6154 
1 1 1 9  11 18 o 14 5.74986e+02 1.86701e+01 2.58838e+02 263.554 -3.51111e+00 -3.10767e+01 0.00000e+00 0.00000e+00 4.66040e+02 263.554 2.07202e+02 263.554 0.9839 
1 1 1 9  11 19 o 16 2.63331e+02 1.61115e+01 1.13157e+02 248.978 -2.57806e+00 -6.70827e+00 0.00000e+00 0.00000e+00 2.02752e+02 248.978 8.95950e+01 248.978 0.9276 
1 1 1 9  11 20 o 5  6.40843e+01 2.62320e+01 3.26165e+01 95.125  -5.22287e-02 5.82332e-01  0.00000e+00 0.00000e+00 9.13655e+00 275.125 4.17530e+01 275.125 0.2805 
1 1 1 9  11 22 o 6  1.09776e+02 2.92870e+01 7.40909e+01 51.136  1.90991e+00  2.37005e+00  0.00000e+00 0.00000e+00 4.49999e+01 51.136  2.90910e+01 231.136 0.8132 
1 1 1 9  11 23 o 14 1.54076e+02 2.45082e+01 9.51277e+01 202.903 -5.05950e+00 -2.13752e+00 0.00000e+00 0.00000e+00 9.27458e+01 202.903 2.38182e+00 22.903  0.9037 
1 1 1 9  11 24 o 17 6.08478e+01 2.63540e+01 4.74649e+00 92.945  -6.60973e-03 1.28460e-01  0.00000e+00 0.00000e+00 5.85931e-01 92.945  4.16055e+00 272.945 0.0642 
1 1 1 9  11 25 o 5  6.55309e+01 2.80657e+01 3.52923e+01 320.202 7.94207e-01  -6.61666e-01 0.00000e+00 0.00000e+00 6.21647e+00 320.202 2.90759e+01 140.202 0.4582 
1 1 1 9  11 26 o 3  8.42820e+01 2.76859e+01 5.08825e+01 44.420  1.82836e+00  1.79168e+00  0.00000e+00 0.00000e+00 4.01519e+01 44.420  1.07306e+01 224.420 0.7714 
1 1 1 9  11 27 o 18 1.07524e+02 3.05478e+01 5.98998e+01 100.590 -7.15271e-01 3.82587e+00  0.00000e+00 0.00000e+00 7.12117e+01 100.590 1.13118e+01 100.590 0.8592 
1 1 1 9  11 28 o 1  6.51399e+01 2.77283e+01 3.24728e+01 216.860 -1.32376e+00 -9.92469e-01 0.00000e+00 0.00000e+00 2.67726e+01 216.860 5.70021e+00 36.860  0.6321 
1 1 1 9  11 29 o 12 1.20400e+02 2.91414e+01 5.55956e+01 257.894 -1.17223e+00 -5.46537e+00 0.00000e+00 0.00000e+00 1.03548e+02 257.894 4.79519e+01 257.894 0.9055 
1 1 1 9  11 30 o 8  6.85814e+01 2.83278e+01 5.02558e+01 10.631  3.11281e+00  5.84305e-01  0.00000e+00 0.00000e+00 3.32326e+01 10.631  1.70232e+01 190.631 0.8216 
1 1 1 9  11 31 o 9  6.23842e+01 2.77032e+01 4.17628e+01 79.434  5.31234e-01  2.84800e+00  0.00000e+00 0.00000e+00 3.35245e+01 79.434  8.23833e+00 259.434 0.8021 
1 1 1 9  11 32 o 18 6.59748e+01 3.04554e+01 4.93757e+01 199.708 -3.02557e+00 -1.08381e+00 0.00000e+00 0.00000e+00 3.37940e+01 199.708 1.55817e+01 19.708  0.8246 
1 1 1 9  11 33 o 1  5.01194e+01 2.48999e+01 2.02673e+01 287.961 4.60467e-01  -1.42048e+00 0.00000e+00 0.00000e+00 2.60320e+01 287.961 5.76480e+00 287.961 0.5945 
1 1 1 9  11 34 o 11 5.81958e+01 2.70558e+01 1.48081e+01 10.807  1.16902e+00  2.23147e-01  0.00000e+00 0.00000e+00 3.20733e+01 10.807  1.72652e+01 10.807  0.5097 
1 1 1 9  12 0  o 12 5.04482e+02 2.76010e+01 2.02356e+02 270.000 -4.13631e-16 -6.75510e+00 0.00000e+00 0.00000e+00 4.00691e+02 270.000 1.98336e+02 270.000 1.0000 
1 1 1 9  12 1  o 7  4.50378e+02 1.48568e+01 2.14049e+02 270.017 3.72899e-03  -1.29001e+01 0.00000e+00 0.00000e+00 3.03148e+02 270.017 8.90987e+01 270.017 0.9604 
1 1 1 9  12 2  o 12 4.54486e+02 1.48911e+01 2.36817e+02 78.834  3.53630e+00  1.79156e+01  0.00000e+00 0.00000e+00 2.91909e+02 78.834  5.50926e+01 78.834  0.9722 
1 1 1 9  12 3  o 16 4.93872e+02 1.55804e+01 2.06932e+02 61.043  8.30816e+00  1.50149e+01  0.00000e+00 0.00000e+00 3.67267e+02 61.043  1.60335e+02 61.043  0.9704 
1 1 1 9  12 4  o 10 4.93739e+02 1.93505e+01 2.55792e+02 216.142 -1.67119e+01 -1.22051e+01 0.00000e+00 0.00000e+00 3.22301e+02 216.142 6.65098e+01 216.142 0.9755 
1 1 1 9  12 5  f 0  4.79466e+02 1.91356e+01 1.49544e+02 201.197 -1.05257e+01 -4.08212e+00 0.00000e+00 0.00000e+00 4.01057e+02 201.197 2.51513e+02 201.197 0.9546 
1 1 1 9  12 6  o 14 3.52515e+02 1.38819e+01 2.29019e+02 24.367  1.15717e+01  5.24115e+00  0.00000e+00 0.00000e+00 1.79118e+02 24.367  4.99009e+01 204.367 0.9598 
1 1 1 9  12 7  o 16 6.69640e+02 1.90081e+01 2.23484e+02 34.060  2.09766e+01  1.41807e+01  0.00000e+00 0.00000e+00 5.70776e+02 34.060  3.47293e+02 34.060  0.9800 
1 1 1 9  12 8  o 7  4.95575e+02 1.60410e+01 2.80434e+02 325.956 1.98153e+01  -1.33880e+01 0.00000e+00 0.00000e+00 3.08880e+02 325.956 2.84462e+01 325.956 0.9789 
1 1 1 9  12 9  o 1  4.84869e+02 1.98152e+01 2.56811e+02 263.140 -2.46448e+00 -2.04859e+01 0.00000e+00 0.00000e+00 3.20235e+02 263.140 6.34235e+01 263.140 0.9755 
1 1 1 9  12 10 o 19 5.44849e+02 1.46338e+01 2.59438e+02 181.955 -2.48112e+01 -8.47047e-01 0.00000e+00 0.00000e+00 3.94904e+02 181.955 1.35466e+02 181.955 0.9796 
1 1 1 9  12 11 o 12 1.91129e+02 1.25625e+01 7.74771e+01 346.576 2.80140e+00  -6.68637e-01 0.00000e+00 0.00000e+00 1.11132e+02 346.576 3.36552e+01 346.576 0.8007 
1 1 1 9  12 12 o 16 4.16405e+02 1.34211e+01 1.54918e+02 290.413 4.20933e+00  -1.13105e+01 0.00000e+00 0.00000e+00 3.39381e+02 290.413 1.84463e+02 290.413 0.9576 
1 1 1 9  12 13 o 10 7.33558e+01 2.17198e+01 5.14194e+01 25.822  6.42680e-01  3.10995e-01  0.00000e+00 0.00000e+00 2.06720e+01 205.822 7.20915e+01 205.822 0.3360 
1 1 1 9  12 14 o 1  5.02328e+02 1.68662e+01 1.81799e+02 100.561 -2.38899e+00 1.28134e+01  0.00000e+00 0.00000e+00 4.24393e+02 100.561 2.42594e+02 100.561 0.9608 
1 1 1 9  12 15 o 5  8.36394e+01 2.16388e+01 5.95053e+01 59.927  4.63158e-01  7.99855e-01  0.00000e+00 0.00000e+00 1.51765e+01 239.927 7.46819e+01 239.927 0.4189 
1 1 1 9  12 16 o 18 2.31563e+02 1.57672e+01 8.04020e+01 218.691 -2.47842e+00 -1.98497e+00 0.00000e+00 0.00000e+00 1.62352e+02 218.691 8.19498e+01 218.691 0.8222 
1 1 1 9  12 19 o 4  2.66321e+02 1.65956e+01 1.81286e+02 57.002  8.07263e+00  1.24317e+01  0.00000e+00 0.00000e+00 1.55436e+02 57.002  2.58501e+01 237.002 0.9657 
1 1 1 9  12 20 o 7  3.07459e+02 4.93110e+01 1.97761e+02 140.556 -1.02709e+01 8.44989e+00  0.00000e+00 0.00000e+00 1.93182e+02 140.556 4.57932e+00 320.556 0.9616 
1 1 1 9  12 23 o 7  1.53655e+02 4.33772e+01 1.44499e+02 35.757  5.87001e+00  4.22689e+00  0.00000e+00 0.00000e+00 5.02885e+01 35.757  9.42103e+01 215.757 0.9281 
1 1 1 9  12 24 o 19 1.49604e+02 3.11410e+01 8.81951e+01 175.462 -6.12378e+00 4.86007e-01  0.00000e+00 0.00000e+00 1.00921e+02 175.462 1.27259e+01 175.462 0.9145 
1 1 1 9  12 25 o 9  6.07615e+01 2.59085e+01 6.81822e+01 217.734 -1.58301e+00 -1.22500e+00 0.00000e+00 0.00000e+00 8.82592e+00 37.734  7.70081e+01 37.734  0.6980 
1 1 1 9  12 26 o 14 1.25812e+02 2.56671e+01 7.67369e+01 333.078 5.60457e+00  -2.84611e+00 0.00000e+00 0.00000e+00 8.67327e+01 333.078 9.99582e+00 333.078 0.9166 
1 1 1 9  12 27 o 7  8.85767e+01 3.01962e+01 2.74403e+01 260.567 -2.79858e-01 -1.68445e+00 0.00000e+00 0.00000e+00 5.44351e+01 260.567 2.69948e+01 260.567 0.6434 
1 1 1 9  12 28 o 5  6.22468e+01 2.66442e+01 1.78661e+01 133.199 -7.17988e-01 7.64616e-01  0.00000e+00 0.00000e+00 2.41564e+01 133.199 6.29029e+00 133.199 0.4634 
1 1 1 9  12 29 o 11 6.43593e+01 2.76874e+01 4.91829e+01 44.237  2.05120e+00  1.99727e+00  0.00000e+00 0.00000e+00 2.68399e+01 44.237  2.23430e+01 224.237 0.7993 
1 1 1 9  12 30 o 16 7.13918e+01 3.11859e+01 1.98476e+01 46.078  8.24456e-01  8.56075e-01  0.00000e+00 0.00000e+00 3.46807e+01 46.078  1.48331e+01 46.078  0.5092 
1 1 1 9  12 31 o 4  6.14219e+01 2.72332e+01 3.86009e+01 238.667 -1.36038e+00 -2.23455e+00 0.00000e+00 0.00000e+00 3.40982e+01 238.667 4.50266e+00 58.667  0.7771 
1 1 1 9  12 32 o 5  4.62921e+01 2.25084e+01 6.59339e+00 293.967 1.90953e-01  -4.29550e-01 0.00000e+00 0.00000e+00 9.79650e+00 293.967 3.20310e+00 293.967 0.2288 
1 1 1 9  12 33 o 5  5.87282e+01 2.83104e+01 1.89365e+01 100.409 -2.46423e-01 1.34152e+00  0.00000e+00 0.00000e+00 3.28623e+01 100.409 1.39258e+01 100.409 0.5607 
1 1 1 9  13 0  o 1  1.61815e+02 1.64297e+01 2.89264e+01 90.000  2.30662e-17  3.76700e-01  0.00000e+00 0.00000e+00 4.16112e+01 90.000  1.26848e+01 90.000  0.3598 
1 1 1 9  13 1  o 14 2.42925e+02 1.27188e+01 1.43546e+02 138.032 -4.15581e+00 3.73766e+00  0.00000e+00 0.00000e+00 1.22985e+02 138.032 2.05610e+01 318.032 0.9055 
1 1 1 9  13 2  o 19 3.03800e+02 1.31367e+01 1.82575e+02 297.430 4.07208e+00  -7.84581e+00 0.00000e+00 0.00000e+00 1.64316e+02 297.430 1.82591e+01 117.430 0.9416 
1 1 1 9  13 3  o 13 3.04782e+02 1.31891e+01 1.27099e+02 26.053  5.50268e+00  2.69015e+00  0.00000e+00 0.00000e+00 2.11231e+02 26.053  8.41321e+01 26.053  0.9143 
1 1 1 9  13 4  o 8  3.72658e+02 1.41266e+01 2.00931e+02 351.946 1.29106e+01  -1.82680e+00 0.00000e+00 0.00000e+00 2.34596e+02 351.946 3.36644e+01 351.946 0.9609 
1 1 1 9  13 5  o 16 4.47074e+02 1.87702e+01 2.34025e+02 258.482 -3.53291e+00 -1.73368e+01 0.00000e+00 0.00000e+00 2.95362e+02 258.482 6.13362e+01 258.482 0.9713 
1 1 1 9  13 6  o 1  2.54858e+02 1.33814e+01 1.38462e+02 153.175 -5.48908e+00 2.77574e+00  0.00000e+00 0.00000e+00 1.46501e+02 153.175 8.03862e+00 153.175 0.9146 
1 1 1 9  13 7  o 13 1.31585e+02 1.57508e+01 1.93920e+01 329.068 3.71843e-01  -2.22827e-01 0.00000e+00 0.00000e+00 1.47914e+01 329.068 4.60059e+00 149.068 0.2118 
1 1 1 9  13 8  o 6  2.85597e+02 1.71360e+01 1.15603e+02 344.883 5.63576e+00  -1.52247e+00 0.00000e+00 0.00000e+00 2.04276e+02 344.883 8.86727e+01 344.883 0.9098 
1 1 1 9  13 9  o 3  3.35150e+02 1.76547e+01 1.75959e+02 201.225 -1.12861e+01 -4.38326e+00 0.00000e+00 0.00000e+00 2.20928e+02 201.225 4.49696e+01 201.225 0.9578 
1 1 1 9  13 10 o 5  5.25235e+02 1.68309e+01 2.33977e+02 264.317 -2.32230e+00 -2.33364e+01 0.00000e+00 0.00000e+00 4.04486e+02 264.317 1.70509e+02 264.317 0.9784 
1 1 1 9  13 11 o 4  4.97154e+02 1.42281e+01 2.04162e+02 176.195 -1.88750e+01 1.25518e+00  0.00000e+00 0.00000e+00 4.00119e+02 176.195 1.95957e+02 176.195 0.9732 
1 1 1 9  13 12 o 10 5.03423e+02 1.63056e+01 1.99299e+02 87.567  8.27327e-01  1.94729e+01  0.00000e+00 0.00000e+00 4.16668e+02 87.567  2.17369e+02 87.567  0.9740 
1 1 1 9  13 13 o 16 1.01745e+03 2.63456e+01 4.50090e+02 44.694  4.49716e+01  4.44933e+01  0.00000e+00 0.00000e+00 8.25924e+02 44.694  3.75834e+02 44.694  0.9921 
1 1 1 9  13 14 o 10 2.30222e+02 1.38735e+01 1.07479e+02 275.356 4.45971e-01  -4.75670e+00 0.00000e+00 0.00000e+00 1.52717e+02 275.356 4.52380e+01 275.356 0.8880 
1 1 1 9  13 15 o 15 3.27788e+02 1.89384e+01 2.02049e+02 185.113 -1.12036e+01 -1.00255e+00 0.00000e+00 0.00000e+00 1.99083e+02 185.113 2.96563e+00 5.113   0.9545 
1 1 1 9  13 16 o 14 1.94167e+02 1.50635e+01 9.72938e+01 320.036 2.60984e+00  -2.18710e+00 0.00000e+00 0.00000e+00 1.12460e+02 320.036 1.51657e+01 320.036 0.8360 
1 1 1 9  13 18 o 9  1.08665e+02 4.38008e+01 8.99754e+01 102.803 -4.49100e-01 1.97631e+00  0.00000e+00 0.00000e+00 1.03186e+01 102.803 7.96568e+01 282.803 0.7021 
1 1 1 9  13 19 o 3  3.19526e+02 1.75090e+01 1.09920e+02 39.323  7.59468e+00  6.22127e+00  0.00000e+00 0.00000e+00 2.91842e+02 39.323  1.81922e+02 39.323  0.9476 
1 1 1 9  13 20 o 13 1.29080e+02 4.55628e+01 6.67302e+01 313.798 1.39676e+00  -1.45664e+00 0.00000e+00 0.00000e+00 5.44718e+01 313.798 1.22585e+01 133.798 0.7007 
1 1 1 9  13 21 o 3  2.06701e+02 4.26659e+01 1.41093e+02 100.383 -1.58045e+00 8.62601e+00  0.00000e+00 0.00000e+00 1.22289e+02 100.383 1.88046e+01 280.383 0.9411 
1 1 1 9  13 22 o 2  1.48365e+02 2.64146e+01 6.88355e+01 253.556 -1.29457e+00 -4.38621e+00 0.00000e+00 0.00000e+00 1.10357e+02 253.556 4.15217e+01 253.556 0.8824 
1 1 1 9  13 23 o 16 1.36934e+02 2.64661e+01 1.00175e+02 273.443 4.08850e-01  -6.79509e+00 0.00000e+00 0.00000e+00 7.48464e+01 273.443 2.53285e+01 93.443  0.9233 
1 1 1 9  13 24 o 2  7.48590e+01 3.07367e+01 9.55420e+01 32.207  2.58532e+00  1.62849e+00  0.00000e+00 0.00000e+00 1.01832e+01 212.207 1.05725e+02 212.207 0.8140 
1 1 1 9  13 25 f 0  7.18571e+01 2.79277e+01 5.00563e+01 101.384 -4.22357e-01 2.09770e+00  0.00000e+00 0.00000e+00 2.32619e+01 101.384 2.67944e+01 281.384 0.7194 
1 1 1 9  13 26 o 5  5.42373e+01 2.44286e+01 4.77729e+01 169.055 -1.80313e+00 3.48687e-01  0.00000e+00 0.00000e+00 4.35446e+00 169.055 4.34184e+01 349.055 0.6690 
1 1 1 9  13 27 o 5  1.03947e+02 3.70455e+01 4.31741e+01 235.179 -1.49331e+00 -2.14692e+00 0.00000e+00 0.00000e+00 7.44098e+01 235.179 3.12356e+01 235.179 0.7770 
1 1 1 9  13 28 o 15 5.66594e+01 2.53705e+01 1.80172e+01 264.184 -9.89332e-02 -9.71203e-01 0.00000e+00 0.00000e+00 1.86103e+01 264.184 5.93104e-01 264.184 0.4379 
1 1 1 9  13 29 o 19 9.60337e+01 3.11523e+01 4.68127e+01 32.927  3.10813e+00  2.01281e+00  0.00000e+00 0.00000e+00 7.55854e+01 32.927  2.87728e+01 32.927  0.8510 
1 1 1 9  13 30 o 2  6.93601e+01 2.88027e+01 1.87971e+01 101.078 -2.64221e-01 1.34952e+00  0.00000e+00 0.00000e+00 4.06367e+01 101.078 2.18396e+01 101.078 0.5637 
1 1 1 9  13 31 o 15 5.95357e+01 2.67183e+01 3.64634e+01 209.630 -2.21641e+00 -1.26064e+00 0.00000e+00 0.00000e+00 3.43289e+01 209.630 2.13451e+00 29.630  0.7703 
1 1 1 9  13 32 o 1  6.56564e+01 2.89338e+01 5.15368e+00 240.018 -1.99297e-01 -3.45447e-01 0.00000e+00 0.00000e+00 1.49820e+01 240.018 9.82830e+00 240.018 0.1955 
1 1 1 9  13 33 o 9  4.93070e+01 2.45957e+01 1.95256e+01 80.316  2.58796e-01  1.51661e+00  0.00000e+00 0.00000e+00 2.80730e+01 80.316  8.54738e+00 80.316  0.6055 
1 1 1 9  14 0  o 18 6.42094e+01 2.71841e+01 2.82126e+01 270.000 -9.33643e-18 -1.52476e-01 0.00000e+00 0.00000e+00 1.62728e+01 90.000  4.44854e+01 90.000  0.1513 
1 1 1 9  14 1  o 11 3.57544e+02 1.69588e+01 7.66363e+01 118.811 -2.23873e+00 4.07032e+00  0.00000e+00 0.00000e+00 3.12105e+02 118.811 2.35468e+02 118.811 0.8845 
1 1 1 9  14 2  o 16 2.59565e+02 1.31242e+01 2.88202e+01 269.221 -1.78800e-02 -1.31472e+00 0.00000e+00 0.00000e+00 1.45824e+02 269.221 1.17004e+02 269.221 0.5469 
1 1 1 9  14 3  o 14 5.99855e+02 1.76410e+01 2.91450e+02 259.088 -5.69026e+00 -2.95161e+01 0.00000e+00 0.00000e+00 4.35042e+02 259.088 1.43592e+02 259.088 0.9832 
1 1 1 9  14 4  o 14 2.40448e+02 1.32963e+01 1.03678e+02 62.667  1.97678e+00  3.82456e+00  0.00000e+00 0.00000e+00 1.55732e+02 62.667  5.20545e+01 62.667  0.8743 
1 1 1 9  14 5  o 11 3.01681e+02 1.37687e+01 1.99013e+02 50.913  6.88646e+00  8.47779e+00  0.00000e+00 0.00000e+00 1.56580e+02 50.913  4.24338e+01 230.913 0.9531 
1 1 1 9  14 6  o 8  3.37422e+02 1.40762e+01 1.70974e+02 173.744 -1.02677e+01 1.12563e+00  0.00000e+00 0.00000e+00 2.26691e+02 173.744 5.57169e+01 173.744 0.9503 
1 1 1 9  14 7  o 1  2.05536e+02 1.39753e+01 1.57565e+02 357.247 6.79074e+00  -3.26481e-01 0.00000e+00 0.00000e+00 7.85379e+01 357.247 7.90274e+01 177.247 0.9232 
1 1 1 9  14 8  o 12 3.21389e+02 1.77259e+01 1.87072e+02 240.138 -5.76139e+00 -1.00346e+01 0.00000e+00 0.00000e+00 1.96579e+02 240.138 9.50656e+00 240.138 0.9558 
1 1 1 9  14 9  o 16 2.09583e+02 1.81540e+01 8.38795e+01 204.938 -2.97684e+00 -1.38420e+00 0.00000e+00 0.00000e+00 1.34032e+02 204.938 5.01520e+01 204.938 0.8289 
1 1 1 9  14 10 o 14 8.08802e+02 2.21107e+01 3.36727e+02 36.040  4.25019e+01  3.09252e+01  0.00000e+00 0.00000e+00 6.72921e+02 36.040  3.36194e+02 36.040  0.9904 
1 1 1 9  14 11 o 12 5.13910e+02 1.45557e+01 2.15629e+02 139.319 -1.24273e+01 1.06822e+01  0.00000e+00 0.00000e+00 4.15337e+02 139.319 1.99708e+02 139.319 0.9690 
1 1 1 9  14 12 o 1  1.37006e+02 1.62638e+01 1.05646e+02 98.372  -3.34465e-01 2.27271e+00  0.00000e+00 0.00000e+00 2.37392e+01 98.372  8.19070e+01 278.372 0.7410 
1 1 1 9  14 13 o 10 4.89494e+02 1.46150e+01 2.83037e+02 294.984 1.12916e+01  -2.42325e+01 0.00000e+00 0.00000e+00 3.32882e+02 294.984 4.98453e+01 294.984 0.9811 
1 1 1 9  14 14 o 13 2.05279e+02 1.41508e+01 1.64965e+02 315.995 4.22715e+00  -4.08288e+00 0.00000e+00 0.00000e+00 7.63539e+01 315.995 8.86109e+01 135.995 0.9104 
1 1 1 9  14 15 o 2  1.38625e+02 1.78967e+01 8.49473e+01 79.443  3.87019e-01  2.07654e+00  0.00000e+00 0.00000e+00 4.40464e+01 79.443  4.09008e+01 259.443 0.7154 
1 1 1 9  14 16 o 10 1.75288e+02 4.17934e+01 1.27401e+02 180.258 -4.47655e+00 -2.01528e-02 0.00000e+00 0.00000e+00 7.47341e+01 180.258 5.26667e+01 0.258   0.8796 
1 1 1 9  14 17 o 17 1.38984e+02 4.71711e+01 5.76718e+01 334.857 1.45146e+00  -6.81243e-01 0.00000e+00 0.00000e+00 5.63593e+01 334.857 1.31259e+00 154.857 0.6207 
1 1 1 9  14 18 o 9  1.29516e+02 3.29101e+01 6.15205e+01 216.468 -1.57871e+00 -1.16680e+00 0.00000e+00 0.00000e+00 5.79395e+01 216.468 3.58107e+00 36.468  0.6916 
1 1 1 9  14 19 o 9  2.50894e+02 1.85398e+01 1.30422e+02 224.757 -7.56068e+00 -7.49678e+00 0.00000e+00 0.00000e+00 1.91037e+02 224.757 6.06151e+01 224.757 0.9518 
1 1 1 9  14 20 o 9  1.14960e+02 5.05649e+01 1.69662e+02 326.029 4.25286e+00  -2.86544e+00 0.00000e+00 0.00000e+00 2.95940e+01 146.029 1.99256e+02 146.029 0.8963 
1 1 1 9  14 21 o 8  1.04146e+02 2.82334e+01 1.23017e+02 13.084  4.50894e+00  1.04797e+00  0.00000e+00 0.00000e+00 3.43991e+00 13.084  1.19577e+02 193.084 0.8840 
1 1 1 9  14 22 o 8  2.39654e+02 4.36865e+01 1.33061e+02 114.147 -4.26526e+00 9.51434e+00  0.00000e+00 0.00000e+00 1.83321e+02 114.147 5.02604e+01 114.147 0.9508 
1 1 1 9  14 23 o 8  1.46374e+02 4.22231e+01 1.23487e+02 189.255 -6.14049e+00 -1.00055e+00 0.00000e+00 0.00000e+00 6.47417e+01 189.255 5.87450e+01 9.255   0.9157 
1 1 1 9  14 24 o 3  8.89438e+01 3.65718e+01 1.16749e+02 281.694 9.63501e-01  -4.65508e+00 0.00000e+00 0.00000e+00 4.58914e+00 101.694 1.21338e+02 101.694 0.8873 
1 1 1 9  14 25 o 3  7.43813e+01 2.83640e+01 3.58378e+01 307.147 9.82164e-01  -1.29645e+00 0.00000e+00 0.00000e+00 3.11430e+01 307.147 4.69480e+00 127.147 0.6259 
1 1 1 9  14 26 o 8  9.03900e+01 2.98003e+01 2.30815e+01 132.016 -9.91578e-01 1.10064e+00  0.00000e+00 0.00000e+00 5.48411e+01 132.016 3.17596e+01 132.016 0.5915 
1 1 1 9  14 27 o 14 8.86748e+01 3.15343e+01 5.17597e+01 47.906  2.41908e+00  2.67777e+00  0.00000e+00 0.00000e+00 5.91210e+01 47.906  7.36127e+00 47.906  0.8466 
1 1 1 9  14 28 o 13 9.51169e+01 3.08430e+01 5.69872e+01 11.434  4.38387e+00  8.86611e-01  0.00000e+00 0.00000e+00 6.83019e+01 11.434  1.13147e+01 11.434  0.8795 
1 1 1 9  14 29 o 19 9.21503e+01 3.10730e+01 1.55016e+01 231.611 -7.45048e-01 -9.40399e-01 0.00000e+00 0.00000e+00 5.62813e+01 231.611 4.07797e+01 231.611 0.5127 
1 1 1 9  14 30 f 0  5.61898e+01 2.56288e+01 3.58991e+01 193.874 -2.32160e+00 -5.73439e-01 0.00000e+00 0.00000e+00 2.93181e+01 193.874 6.58091e+00 13.874  0.7526 
1 1 1 9  14 31 o 17 6.25128e+01 2.76412e+01 9.15986e+00 74.650  1.77899e-01  6.48052e-01  0.00000e+00 0.00000e+00 2.20071e+01 74.650  1.28472e+01 74.650  0.3184 
1 1 1 9  14 32 f 0  7.00526e+01 2.98384e+01 1.17249e+01 81.509  1.36161e-01  9.12090e-01  0.00000e+00 0.00000e+00 3.48813e+01 81.509  2.31564e+01 81.509  0.4181 
1 1 1 9  14 33 o 12 4.30423e+01 2.13431e+01 1.41568e+01 344.629 1.14972e+00  -3.16051e-01 0.00000e+00 0.00000e+00 2.13759e+01 344.629 7.21913e+00 344.629 0.5104 
1 1 1 9  15 0  o 18 4.29697e+02 1.83627e+01 1.94851e+02 90.000  4.65231e-16  7.59780e+00  0.00000e+00 0.00000e+00 3.41468e+02 90.000  1.46617e+02 90.000  1.0000 
1 1 1 9  15 1  o 5  3.23064e+02 1.36100e+01 1.74760e+02 276.359 1.13120e+00  -1.01508e+01 0.00000e+00 0.00000e+00 2.08285e+02 276.359 3.35242e+01 276.359 0.9497 
1 1 1 9  15 2  o 9  2.68460e+02 1.32063e+01 7.78860e+01 216.671 -3.02538e+00 -2.25265e+00 0.00000e+00 0.00000e+00 2.08603e+02 216.671 1.30717e+02 216.671 0.8541 
1 1 1 9  15 3  o 17 1.25750e+02 1.55073e+01 7.25277e+01 212.411 -1.63149e+00 -1.03580e+00 0.00000e+00 0.00000e+00 3.54462e+01 212.411 3.70816e+01 32.411  0.6864 
1 1 1 9  15 4  o 6  6.59399e+01 2.03544e+01 4.26118e+01 305.153 3.32089e-01  -4.71582e-01 0.00000e+00 0.00000e+00 1.97199e+01 125.153 6.23317e+01 125.153 0.2770 
1 1 1 9  15 5  o 18 2.39857e+02 1.38973e+01 5.73661e+01 41.281  2.15953e+00  1.89592e+00  0.00000e+00 0.00000e+00 1.83706e+02 41.281  1.26340e+02 41.281  0.8002 
1 1 1 9  15 6  o 19 4.56422e+02 1.56108e+01 2.71006e+02 327.694 2.02897e+01  -1.28294e+01 0.00000e+00 0.00000e+00 2.91762e+02 327.694 2.07561e+01 327.694 0.9789 
1 1 1 9  15 7  o 6  3.95890e+02 1.49404e+01 2.38757e+02 118.961 -8.69777e+00 1.57165e+01  0.00000e+00 0.00000e+00 2.47380e+02 118.961 8.62258e+00 118.961 0.9718 
1 1 1 9  15 8  o 15 2.29772e+02 1.77005e+01 1.63323e+02 218.673 -5.41105e+00 -4.33089e+00 0.00000e+00 0.00000e+00 1.06199e+02 218.673 5.71244e+01 38.673  0.9248 
1 1 1 9  15 9  o 7  3.28836e+02 1.47416e+01 1.24606e+02 265.898 -5.79129e-01 -8.07614e+00 0.00000e+00 0.00000e+00 2.67504e+02 265.898 1.42898e+02 265.898 0.9360 
1 1 1 9  15 10 o 11 3.65835e+02 1.53922e+01 1.85145e+02 100.273 -1.76948e+00 9.76306e+00  0.00000e+00 0.00000e+00 2.58864e+02 100.273 7.37192e+01 100.273 0.9482 
1 1 1 9  15 11 o 14 3.70530e+02 1.56330e+01 2.11161e+02 14.284  1.20053e+01  3.05657e+00  0.00000e+00 0.00000e+00 2.45971e+02 14.284  3.48092e+01 14.284  0.9587 
1 1 1 9  15 12 o 5  5.51499e+02 1.71514e+01 2.53562e+02 319.489 2.02734e+01  -1.73220e+01 0.00000e+00 0.00000e+00 4.46723e+02 319.489 1.93161e+02 319.489 0.9811 
1 1 1 9  15 13 o 15 6.15452e+02 1.62267e+01 3.14319e+02 221.903 -2.62572e+01 -2.35619e+01 0.00000e+00 0.00000e+00 4.75850e+02 221.903 1.61531e+02 221.903 0.9857 
1 1 1 9  15 14 o 2  3.40525e+02 1.38345e+01 1.33315e+02 155.873 -7.56524e+00 3.38833e+00  0.00000e+00 0.00000e+00 2.85370e+02 155.873 1.52055e+02 155.873 0.9376 
1 1 1 9  15 15 o 16 5.52632e+02 1.83220e+01 2.11730e+02 25.143  2.61756e+01  1.22855e+01  0.00000e+00 0.00000e+00 5.05561e+02 25.143  2.93830e+02 25.143  0.9826 
1 1 1 9  15 18 o 4  8.63920e+01 3.97084e+01 1.37593e+02 8.245   3.03022e+00  4.39098e-01  0.00000e+00 0.00000e+00 4.22943e+01 188.245 1.79887e+02 188.245 0.8145 
1 1 1 9  15 19 f 0  1.29170e+02 4.95953e+01 1.60968e+02 260.380 -9.32919e-01 -5.50422e+00 0.00000e+00 0.00000e+00 1.09570e+00 80.380  1.62064e+02 80.380  0.9053 
1 1 1 9  15 20 o 3  1.05463e+02 4.61538e+01 1.13580e+02 170.784 -3.22685e+00 5.23556e-01  0.00000e+00 0.00000e+00 6.98860e+00 170.784 1.06591e+02 350.784 0.8281 
1 1 1 9  15 21 o 18 1.52291e+02 3.32164e+01 9.05244e+01 295.723 2.41199e+00  -5.00656e+00 0.00000e+00 0.00000e+00 1.01707e+02 295.723 1.11830e+01 295.723 0.9049 
1 1 1 9  15 22 o 8  1.59663e+02 2.39507e+01 6.26601e+01 300.366 2.72726e+00  -4.65485e+00 0.00000e+00 0.00000e+00 1.40381e+02 300.366 7.77208e+01 300.366 0.9018 
1 1 1 9  15 23 o 8  2.20880e+02 2.52790e+01 1.26465e+02 69.018  4.94578e+00  1.28965e+01  0.00000e+00 0.00000e+00 1.76939e+02 69.018  5.04738e+01 69.018  0.9631 
1 1 1 9  15 24 o 16 1.04415e+02 3.27480e+01 6.49245e+01 111.045 -1.33859e+00 3.47898e+00  0.00000e+00 0.00000e+00 6.34947e+01 111.045 1.42983e+00 291.045 0.8522 
1 1 1 9  15 25 o 14 1.55544e+02 2.32342e+01 1.01751e+02 208.400 -1.13450e+01 -6.13417e+00 0.00000e+00 0.00000e+00 1.16532e+02 208.400 1.47807e+01 208.400 0.9604 
1 1 1 9  15 26 o 17 6.52032e+01 2.77886e+01 1.47793e+01 6.567   8.20810e-01  9.44876e-02  0.00000e+00 0.00000e+00 2.20341e+01 6.567   7.25481e+00 6.567   0.3815 
1 1 1 9  15 27 o 8  6.40197e+01 2.70636e+01 1.74562e+01 16.302  9.62533e-01  2.81503e-01  0.00000e+00 0.00000e+00 2.55083e+01 16.302  8.05210e+00 16.302  0.4474 
1 1 1 9  15 28 o 17 6.01298e+01 2.65728e+01 3.39736e+01 307.468 1.21941e+00  -1.59100e+00 0.00000e+00 0.00000e+00 2.99106e+01 307.468 4.06303e+00 127.468 0.6985 
1 1 1 9  15 29 o 17 4.65349e+01 2.24050e+01 6.65761e+00 252.305 -1.34304e-01 -4.20958e-01 0.00000e+00 0.00000e+00 8.83107e+00 252.305 2.17346e+00 252.305 0.2157 
1 1 1 9  15 30 o 12 5.40315e+01 2.50230e+01 3.34233e+01 164.487 -2.21113e+00 6.13735e-01  0.00000e+00 0.00000e+00 2.92549e+01 164.487 4.16836e+00 344.487 0.7407 
1 1 1 9  15 31 o 3  5.66073e+01 2.61456e+01 1.42144e+01 123.680 -6.08713e-01 9.13426e-01  0.00000e+00 0.00000e+00 2.89930e+01 123.680 1.47786e+01 123.680 0.4799 
1 1 1 9  15 32 o 18 4.77937e+01 2.32677e+01 2.88875e+01 2.367   2.38254e+00  9.85038e-02  0.00000e+00 0.00000e+00 2.91759e+01 2.367   2.88413e-01 2.367   0.7518 
1 1 1 9  16 0  o 10 1.16002e+02 2.32268e+01 7.50026e+00 90.000  5.19138e-18  8.47817e-02  0.00000e+00 0.00000e+00 4.94968e+00 90.000  2.55058e+00 270.000 0.0846 
1 1 1 9  16 1  o 1  2.76263e+02 1.34618e+01 9.60451e+01 17.254  4.98689e+00  1.54887e+00  0.00000e+00 0.00000e+00 2.18938e+02 17.254  1.22892e+02 17.254  0.8983 
1 1 1 9  16 2  o 5  2.13238e+02 1.35478e+01 3.53812e+01 76.681  3.40675e-01  1.43906e+00  0.00000e+00 0.00000e+00 1.24657e+02 76.681  8.92762e+01 76.681  0.5909 
1 1 1 9  16 3  o 6  2.11662e+02 1.37957e+01 4.18597e+01 211.415 -1.47177e+00 -8.98891e-01 0.00000e+00 0.00000e+00 1.32296e+02 211.415 9.04368e+01 211.415 0.6469 
1 1 1 9  16 4  o 15 1.59566e+02 1.48240e+01 1.27494e+02 232.677 -2.35403e+00 -3.08753e+00 0.00000e+00 0.00000e+00 4.71076e+01 232.677 8.03868e+01 52.677  0.8589 
1 1 1 9  16 5  o 17 2.63711e+02 1.40703e+01 1.18073e+02 240.702 -2.88438e+00 -5.14030e+00 0.00000e+00 0.00000e+00 1.88599e+02 240.702 7.05256e+01 240.702 0.9107 
1 1 1 9  16 6  o 3  4.88682e+02 1.61830e+01 2.51031e+02 22.369  2.26888e+01  9.33737e+00  0.00000e+00 0.00000e+00 3.61842e+02 22.369  1.10812e+02 22.369  0.9794 
1 1 1 9  16 7  o 2  2.41207e+02 1.81627e+01 4.96514e+01 208.321 -2.05983e+00 -1.11008e+00 0.00000e+00 0.00000e+00 1.81645e+02 208.321 1.31993e+02 208.321 0.7464 
1 1 1 9  16 8  o 1  2.01162e+02 3.26935e+01 1.10630e+02 18.630  2.88416e+00  9.72317e-01  0.00000e+00 0.00000e+00 1.00316e+02 18.630  1.03137e+01 198.630 0.8132 
1 1 1 9  16 9  o 3  3.16347e+02 1.51066e+01 1.63590e+02 93.127  -4.53025e-01 8.29180e+00  0.00000e+00 0.00000e+00 2.20594e+02 93.127  5.70043e+01 93.127  0.9377 
1 1 1 9  16 10 o 8  4.56836e+02 1.63950e+01 2.29395e+02 173.549 -2.02279e+01 2.28701e+00  0.00000e+00 0.00000e+00 3.50314e+02 173.549 1.20919e+02 173.549 0.9751 
1 1 1 9  16 11 o 14 5.68776e+02 2.15644e+01 1.78452e+02 302.585 9.38721e+00  -1.46869e+01 0.00000e+00 0.00000e+00 5.43980e+02 302.585 3.65528e+02 302.585 0.9709 
1 1 1 9  16 12 o 18 4.84335e+02 1.62402e+01 1.85454e+02 282.987 3.66969e+00  -1.59111e+01 0.00000e+00 0.00000e+00 4.32030e+02 282.987 2.46576e+02 282.987 0.9689 
1 1 1 9  16 13 o 14 3.27981e+02 1.57546e+01 1.12214e+02 150.472 -7.02928e+00 3.98154e+00  0.00000e+00 0.00000e+00 2.94250e+02 150.472 1.82036e+02 150.472 0.9359 
1 1 1 9  16 14 o 10 6.72341e+02 2.01921e+01 2.16558e+02 101.080 -6.84054e+00 3.49314e+01  0.00000e+00 0.00000e+00 6.67145e+02 101.080 4.50587e+02 101.080 0.9859 
1 1 1 9  16 15 o 14 1.57111e+02 2.61835e+01 7.21453e+01 211.515 -2.44465e+00 -1.49899e+00 0.00000e+00 0.00000e+00 9.65940e+01 211.515 2.44487e+01 211.515 0.7997 
1 1 1 9  16 16 o 14 1.48036e+02 3.85019e+01 1.46406e+02 334.783 4.56576e+00  -2.15014e+00 0.00000e+00 0.00000e+00 3.28209e+01 334.783 1.13585e+02 154.783 0.8945 
1 1 1 9  16 17 o 11 9.98353e+01 4.26551e+01 1.12169e+02 285.897 7.59893e-01  -2.66818e+00 0.00000e+00 0.00000e+00 4.27626e+00 105.897 1.16446e+02 105.897 0.7918 
1 1 1 9  16 18 o 10 7.99447e+01 3.75039e+01 1.02962e+02 300.402 1.39115e+00  -2.37097e+00 0.00000e+00 0.00000e+00 1.60453e+01 120.402 1.19007e+02 120.402 0.7896 
1 1 1 9  16 19 o 11 1.42568e+02 4.19384e+01 1.03508e+02 55.032  2.53628e+00  3.62647e+00  0.00000e+00 0.00000e+00 7.04881e+01 55.032  3.30196e+01 235.032 0.8781 
1 1 1 9  16 20 o 10 1.54673e+02 4.04134e+01 1.25309e+02 138.526 -5.03748e+00 4.45276e+00  0.00000e+00 0.00000e+00 7.49240e+01 138.526 5.03851e+01 318.526 0.9223 
1 1 1 9  16 21 o 19 1.63173e+02 3.96477e+01 1.14561e+02 161.245 -6.94762e+00 2.35913e+00  0.00000e+00 0.00000e+00 1.00447e+02 161.245 1.41140e+01 341.245 0.9291 
1 1 1 9  16 22 o 13 1.40938e+02 2.21714e+01 1.18565e+02 273.093 4.74618e-01  -8.78424e+00 0.00000e+00 0.00000e+00 7.16358e+01 273.093 4.69297e+01 93.093  0.9413 
1 1 1 9  16 23 o 2  1.86945e+02 2.75315e+01 8.98105e+01 301.403 5.28207e+00  -8.65232e+00 0.00000e+00 0.00000e+00 1.67525e+02 301.403 7.77146e+01 301.403 0.9493 
1 1 1 9  16 24 o 10 6.24844e+01 2.62911e+01 3.79337e+01 73.271  4.64479e-01  1.54533e+00  0.00000e+00 0.00000e+00 1.91847e+01 73.271  1.87490e+01 253.271 0.6230 
1 1 1 9  16 25 o 1  6.89692e+01 2.72892e+01 4.59151e+01 71.935  7.83058e-01  2.40072e+00  0.00000e+00 0.00000e+00 3.27427e+01 71.935  1.31724e+01 251.935 0.7677 
1 1 1 9  16 26 o 16 1.05781e+02 3.11367e+01 3.68072e+01 359.616 3.02664e+00  -2.02586e-02 0.00000e+00 0.00000e+00 9.24356e+01 359.616 5.56284e+01 359.616 0.8119 
1 1 1 9  16 27 o 4  5.37487e+01 2.46202e+01 7.50617e+00 322.439 3.34124e-01  -2.56946e-01 0.00000e+00 0.00000e+00 9.39597e+00 322.439 1.88980e+00 322.439 0.2062 
1 1 1 9  16 28 o 2  6.82466e+01 2.84068e+01 4.29366e+01 188.043 -2.89208e+00 -4.08648e-01 0.00000e+00 0.00000e+00 4.19063e+01 188.043 1.03039e+00 8.043   0.8040 
1 1 1 9  16 29 o 1  5.41740e+01 2.50118e+01 3.63322e+01 175.115 -2.38015e+00 2.03413e-01  0.00000e+00 0.00000e+00 2.76047e+01 175.115 8.72742e+00 355.115 0.7523 
1 1 1 9  16 30 o 7  6.02997e+01 2.69694e+01 2.33806e+01 29.846  1.47369e+00  8.45549e-01  0.00000e+00 0.00000e+00 3.82226e+01 29.846  1.48419e+01 29.846  0.6416 
1 1 1 9  16 31 o 18 5.44075e+01 2.53824e+01 2.78423e+01 337.487 1.99664e+00  -8.27557e-01 0.00000e+00 0.00000e+00 3.57236e+01 337.487 7.88131e+00 337.487 0.7226 
1 1 1 9  16 32 o 5  5.10907e+01 2.44191e+01 1.72614e+01 341.219 1.32420e+00  -4.50301e-01 0.00000e+00 0.00000e+00 3.05855e+01 341.219 1.33241e+01 341.219 0.5701 
1 1 1 9  17 0  o 6  6.17323e+02 2.22038e+01 2.31585e+02 270.000 -8.81679e-16 -1.43989e+01 0.00000e+00 0.00000e+00 5.65662e+02 270.000 3.34076e+02 270.000 1.0000 
1 1 1 9  17 1  o 9  1.15028e+02 1.52322e+01 1.39532e+02 235.553 -1.83012e+00 -2.66808e+00 0.00000e+00 0.00000e+00 1.67978e+01 55.553  1.56330e+02 55.553  0.8260 
1 1 1 9  17 2  o 10 2.71274e+02 1.37943e+01 4.69719e+01 40.816  1.94785e+00  1.68229e+00  0.00000e+00 0.00000e+00 2.24039e+02 40.816  1.77067e+02 40.816  0.7728 
1 1 1 9  17 3  o 5  7.84924e+02 2.13231e+01 3.08663e+02 311.320 3.10592e+01  -3.53296e+01 0.00000e+00 0.00000e+00 6.96480e+02 311.320 3.87818e+02 311.320 0.9893 
1 1 1 9  17 4  o 8  2.57240e+02 1.38574e+01 1.57647e+02 116.884 -2.76989e+00 5.46345e+00  0.00000e+00 0.00000e+00 1.47314e+02 116.884 1.03333e+01 296.884 0.9143 
1 1 1 9  17 5  o 14 4.77909e+02 1.60303e+01 2.79952e+02 127.291 -1.20453e+01 1.58169e+01  0.00000e+00 0.00000e+00 3.25324e+02 127.291 4.53725e+01 127.291 0.9745 
1 1 1 9  17 6  o 4  2.98541e+02 1.43679e+01 1.86464e+02 273.982 6.31241e-01  -9.06761e+00 0.00000e+00 0.00000e+00 1.80535e+02 273.982 5.92907e+00 93.982  0.9433 
1 1 1 9  17 7  o 18 2.63598e+02 1.82857e+01 1.72312e+02 224.461 -5.15111e+00 -5.05504e+00 0.00000e+00 0.00000e+00 1.47490e+02 224.461 2.48227e+01 44.461  0.9279 
1 1 1 9  17 8  o 9  3.50031e+02 1.85344e+01 1.49388e+02 66.362  4.05599e+00  9.26700e+00  0.00000e+00 0.00000e+00 2.86683e+02 66.362  1.37295e+02 66.362  0.9492 
1 1 1 9  17 9  o 13 3.69538e+02 1.99874e+01 1.31904e+02 313.798 5.89049e+00  -6.14295e+00 0.00000e+00 0.00000e+00 3.25607e+02 313.798 1.93704e+02 313.798 0.9393 
1 1 1 9  17 10 o 14 2.77886e+02 2.08910e+01 1.27258e+02 293.786 2.57301e+00  -5.83752e+00 0.00000e+00 0.00000e+00 2.10562e+02 293.786 8.33041e+01 293.786 0.9179 
1 1 1 9  17 12 o 9  1.87481e+02 1.89792e+01 6.55186e+01 147.748 -2.23434e+00 1.40989e+00  0.00000e+00 0.00000e+00 1.30221e+02 147.748 6.47021e+01 147.748 0.7796 
1 1 1 9  17 13 o 12 1.00076e+02 2.10850e+01 5.54483e+01 168.072 -1.46266e+00 3.08984e-01  0.00000e+00 0.00000e+00 2.47838e+01 168.072 3.06646e+01 348.072 0.5949 
1 1 1 9  17 14 o 17 2.06920e+02 1.72405e+01 7.45523e+01 152.739 -4.31615e+00 2.22403e+00  0.00000e+00 0.00000e+00 1.75309e+02 152.739 1.00757e+02 152.739 0.8899 
1 1 1 9  17 15 o 10 1.38037e+02 3.65199e+01 1.12633e+02 268.353 -1.06518e-01 -3.70511e+00 0.00000e+00 0.00000e+00 4.79705e+01 268.353 6.46627e+01 88.353  0.8512 
1 1 1 9  17 16 o 11 1.28793e+02 2.03865e+01 6.64369e+01 34.310  2.30282e+00  1.57148e+00  0.00000e+00 0.00000e+00 7.42588e+01 34.310  7.82196e+00 34.310  0.7930 
1 1 1 9  17 17 o 2  2.08556e+02 4.44981e+01 1.24530e+02 328.324 6.52134e+00  -4.02381e+00 0.00000e+00 0.00000e+00 1.45550e+02 328.324 2.10196e+01 328.324 0.9323 
1 1 1 9  17 18 o 9  9.69524e+01 4.27850e+01 1.58814e+02 245.350 -1.90018e+00 -4.14088e+00 0.00000e+00 0.00000e+00 3.89826e+01 65.350  1.97796e+02 65.350  0.8820 
1 1 1 9  17 19 o 1  7.57707e+01 3.54960e+01 1.14470e+02 145.252 -2.72761e+00 1.89208e+00  0.00000e+00 0.00000e+00 2.53925e+01 325.252 1.39863e+02 325.252 0.8311 
1 1 1 9  17 20 o 1  7.81274e+01 2.70041e+01 5.72424e+01 33.452  1.85155e+00  1.22329e+00  0.00000e+00 0.00000e+00 2.43059e+01 33.452  3.29364e+01 213.452 0.7307 
1 1 1 9  17 21 o 16 9.23981e+01 2.68351e+01 1.64744e+01 127.531 -4.30606e-01 5.60553e-01  0.00000e+00 0.00000e+00 2.79422e+01 127.531 1.14678e+01 127.531 0.3330 
1 1 1 9  17 22 o 17 7.60999e+01 3.01761e+01 5.77268e+01 40.124  1.91042e+00  1.61010e+00  0.00000e+00 0.00000e+00 2.71979e+01 40.124  3.05289e+01 220.124 0.7648 
1 1 1 9  17 23 o 1  7.13437e+01 2.99878e+01 3.46135e+01 216.568 -1.22912e+00 -9.11762e-01 0.00000e+00 0.00000e+00 2.89323e+01 216.568 5.68113e+00 36.568  0.6036 
1 1 1 9  17 24 o 6  7.65746e+01 2.83508e+01 6.70562e+01 217.512 -3.02440e+00 -2.32170e+00 0.00000e+00 0.00000e+00 3.08206e+01 217.512 3.62356e+01 37.512  0.8559 
1 1 1 9  17 25 o 14 8.05482e+01 2.96672e+01 3.51199e+01 52.783  1.43595e+00  1.89062e+00  0.00000e+00 0.00000e+00 5.62878e+01 52.783  2.11679e+01 52.783  0.7506 
1 1 1 9  17 26 o 16 5.43630e+01 2.47317e+01 3.37452e+01 299.974 9.58077e-01  -1.66116e+00 0.00000e+00 0.00000e+00 2.31836e+01 299.974 1.05616e+01 119.974 0.6838 
1 1 1 9  17 27 o 17 7.75738e+01 2.97881e+01 4.69922e+01 231.595 -1.99556e+00 -2.51731e+00 0.00000e+00 0.00000e+00 5.22837e+01 231.595 5.29145e+00 231.595 0.8245 
1 1 1 9  17 28 o 13 7.36662e+01 2.93625e+01 4.43264e+01 93.454  -1.96237e-01 3.25099e+00  0.00000e+00 0.00000e+00 5.15882e+01 93.454  7.26178e+00 93.454  0.8273 
1 1 1 9  17 29 o 17 5.74630e+01 2.60543e+01 3.75612e+01 80.864  4.39479e-01  2.73283e+00  0.00000e+00 0.00000e+00 3.50307e+01 80.864  2.53045e+00 260.864 0.7913 
1 1 1 9  17 30 o 1  3.88131e+01 1.93355e+01 1.45378e+01 307.268 6.92042e-01  -9.09478e-01 0.00000e+00 0.00000e+00 1.65780e+01 307.268 2.04014e+00 307.268 0.4947 
1 1 1 9  17 31 o 2  5.63049e+01 2.60331e+01 3.11521e+01 297.816 1.17363e+00  -2.22444e+00 0.00000e+00 0.00000e+00 3.98805e+01 297.816 8.72839e+00 297.816 0.7666 
1 1 1 9  18 0  o 15 3.43915e+02 1.74587e+01 2.23751e+02 270.000 -3.88287e-16 -6.34122e+00 0.00000e+00 0.00000e+00 2.28764e+02 270.000 5.01344e+00 270.000 1.0000 
1 1 1 9  18 1  o 1  2.38925e+02 1.41969e+01 1.36345e+02 284.365 1.32356e+00  -5.16792e+00 0.00000e+00 0.00000e+00 1.46854e+02 284.365 1.05090e+01 284.365 0.9006 
1 1 1 9  18 2  o 8  2.32257e+02 1.43252e+01 7.92883e+01 129.324 -1.90422e+00 2.32453e+00  0.00000e+00 0.00000e+00 1.68604e+02 129.324 8.93160e+01 129.324 0.8103 
1 1 1 9  18 3  o 16 2.23281e+02 1.42082e+01 1.20934e+02 99.441  -7.19156e-01 4.32504e+00  0.00000e+00 0.00000e+00 1.37256e+02 99.441  1.63216e+01 99.441  0.8768 
1 1 1 9  18 4  o 7  3.26222e+02 1.43485e+01 1.45648e+02 174.902 -9.46761e+00 8.44553e-01  0.00000e+00 0.00000e+00 2.61983e+02 174.902 1.16335e+02 174.902 0.9458 
1 1 1 9  18 5  o 12 2.40541e+02 1.45577e+01 1.70282e+02 8.568   8.02192e+00  1.20861e+00  0.00000e+00 0.00000e+00 1.27890e+02 8.568   4.23918e+01 188.568 0.9362 
1 1 1 9  18 6  o 12 3.65334e+02 1.51358e+01 1.30619e+02 48.976  5.64951e+00  6.49350e+00  0.00000e+00 0.00000e+00 3.25349e+02 48.976  1.94730e+02 48.976  0.9400 
1 1 1 9  18 7  o 15 5.00561e+02 2.08344e+01 2.63528e+02 204.857 -2.08081e+01 -9.63974e+00 0.00000e+00 0.00000e+00 3.88586e+02 204.857 1.25058e+02 204.857 0.9779 
1 1 1 9  18 8  o 18 2.34352e+02 1.56644e+01 6.51994e+01 148.067 -2.40322e+00 1.49781e+00  0.00000e+00 0.00000e+00 1.84477e+02 148.067 1.19277e+02 148.067 0.7967 
1 1 1 9  18 9  o 14 1.29293e+02 2.02938e+01 1.06064e+02 355.144 2.48623e+00  -2.11205e-01 0.00000e+00 0.00000e+00 2.66733e+01 355.144 7.93906e+01 175.144 0.7645 
1 1 1 9  18 10 o 5  1.82457e+02 1.73205e+01 1.35621e+02 330.399 4.71949e+00  -2.68115e+00 0.00000e+00 0.00000e+00 8.65650e+01 330.399 4.90558e+01 150.399 0.9024 
1 1 1 9  18 12 o 3  8.62477e+01 2.81174e+01 9.18524e+01 241.445 -9.54581e-01 -1.75411e+00 0.00000e+00 0.00000e+00 9.79573e+00 61.445  1.01648e+02 61.445  0.6973 
1 1 1 9  18 13 o 9  2.54063e+02 1.79089e+01 1.29047e+02 24.456  8.68706e+00  3.95090e+00  0.00000e+00 0.00000e+00 2.00982e+02 24.456  7.19351e+01 24.456  0.9461 
1 1 1 9  18 14 o 9  9.90873e+01 2.29378e+01 2.16054e+01 41.339  5.00983e-01  4.40731e-01  0.00000e+00 0.00000e+00 2.17279e+01 41.339  1.22581e-01 41.339  0.3163 
1 1 1 9  18 15 o 4  7.81965e+01 3.24934e+01 9.20381e+01 230.593 -1.30041e+00 -1.58275e+00 0.00000e+00 0.00000e+00 1.52036e+01 50.593  1.07242e+02 50.593  0.7056 
1 1 1 9  18 16 o 10 1.84439e+02 1.88708e+01 1.10630e+02 279.987 1.56788e+00  -8.90333e+00 0.00000e+00 0.00000e+00 1.33468e+02 279.987 2.28385e+01 279.987 0.9430 
1 1 1 9  18 17 o 9  1.53874e+02 3.73109e+01 9.99599e+01 48.077  3.28218e+00  3.65511e+00  0.00000e+00 0.00000e+00 9.41420e+01 48.077  5.81789e+00 228.077 0.8913 
1 1 1 9  18 18 o 12 1.25640e+02 2.10055e+01 1.26124e+02 119.046 -3.88065e+00 6.98763e+00  0.00000e+00 0.00000e+00 4.16361e+01 119.046 8.44878e+01 299.046 0.9352 
1 1 1 9  18 19 o 18 1.18304e+02 3.91710e+01 1.37232e+02 206.369 -5.61925e+00 -2.78568e+00 0.00000e+00 0.00000e+00 1.90103e+01 206.369 1.18222e+02 26.369  0.9164 
1 1 1 9  18 20 o 2  6.22628e+01 2.78083e+01 5.67581e+01 298.908 7.82879e-01  -1.41769e+00 0.00000e+00 0.00000e+00 1.83275e-01 118.908 5.69414e+01 118.908 0.6243 
1 1 1 9  18 21 o 18 1.28757e+02 2.96212e+01 8.02662e+01 344.017 5.74834e+00  -1.64644e+00 0.00000e+00 0.00000e+00 9.24240e+01 344.017 1.21578e+01 344.017 0.9120 
1 1 1 9  18 22 o 14 5.89989e+01 2.57045e+01 2.25900e+01 49.466  6.05270e-01  7.07838e-01  0.00000e+00 0.00000e+00 1.43814e+01 49.466  8.20857e+00 229.466 0.4215 
1 1 1 9  18 23 o 17 9.28131e+01 2.89718e+01 5.34468e+01 151.642 -3.18846e+00 1.72099e+00  0.00000e+00 0.00000e+00 6.47927e+01 151.642 1.13459e+01 151.642 0.8473 
1 1 1 9  18 24 o 4  7.06677e+01 2.85996e+01 3.53542e+01 357.863 2.06948e+00  -7.72062e-02 0.00000e+00 0.00000e+00 4.08864e+01 357.863 5.53221e+00 357.863 0.7091 
1 1 1 9  18 25 o 18 5.57208e+01 2.52154e+01 8.54737e+00 184.998 -4.72493e-01 -4.13197e-02 0.00000e+00 0.00000e+00 1.12559e+01 184.998 2.70853e+00 184.998 0.2307 
1 1 1 9  18 26 o 6  6.64492e+01 2.74455e+01 2.90857e+01 129.415 -1.19362e+00 1.45234e+00  0.00000e+00 0.00000e+00 4.11112e+01 129.415 1.20255e+01 129.415 0.6770 
1 1 1 9  18 27 o 16 5.94857e+01 2.61407e+01 4.46692e+00 316.814 2.28765e-01  -2.14717e-01 0.00000e+00 0.00000e+00 1.01110e+01 316.814 5.64412e+00 316.814 0.1550 
1 1 1 9  18 28 o 12 5.77684e+01 2.59447e+01 1.17716e+01 302.449 4.40076e-01  -6.92137e-01 0.00000e+00 0.00000e+00 2.33413e+01 302.449 1.15697e+01 302.449 0.3791 
1 1 1 9  18 29 f 0  4.59561e+01 2.22265e+01 2.32307e+01 0.995   1.82018e+00  3.16040e-02  0.00000e+00 0.00000e+00 2.65533e+01 0.995   3.32268e+00 0.995   0.6660 
1 1 1 9  18 30 o 15 5.86796e+01 2.66649e+01 3.41169e+00 13.456  2.59723e-01  6.21452e-02  0.00000e+00 0.00000e+00 9.41056e+00 13.456  5.99887e+00 13.456  0.1324 
1 1 1 9  19 0  o 19 6.77163e+01 3.09761e+01 1.95215e+01 270.000 -7.09820e-18 -1.15922e-01 0.00000e+00 0.00000e+00 9.03402e+00 90.000  2.85556e+01 90.000  0.1154 
1 1 1 9  19 1  o 2  3.10811e+02 1.43122e+01 2.39082e+02 83.994  1.40787e+00  1.33813e+01  0.00000e+00 0.00000e+00 1.62316e+02 83.994  7.67658e+01 263.994 0.9621 
1 1 1 9  19 2  o 15 3.96706e+02 1.88213e+01 1.44883e+02 345.025 9.84577e+00  -2.63355e+00 0.00000e+00 0.00000e+00 3.61172e+02 345.025 2.16288e+02 345.025 0.9496 
1 1 1 9  19 3  o 14 3.26879e+02 1.45229e+01 1.44637e+02 132.958 -6.11998e+00 6.57252e+00  0.00000e+00 0.00000e+00 2.69776e+02 132.958 1.25139e+02 132.958 0.9426 
1 1 1 9  19 4  o 18 1.09008e+02 2.00313e+01 7.65512e+01 18.448  1.45825e+00  4.86458e-01  0.00000e+00 0.00000e+00 1.23418e+01 18.448  6.42094e+01 198.448 0.6052 
1 1 1 9  19 5  o 17 3.95491e+02 1.52100e+01 1.50491e+02 264.996 -9.68697e-01 -1.10632e+01 0.00000e+00 0.00000e+00 3.58967e+02 264.996 2.08476e+02 264.996 0.9539 
1 1 1 9  19 6  o 16 3.82816e+02 1.89596e+01 1.16364e+02 190.798 -8.09623e+00 -1.54411e+00 0.00000e+00 0.00000e+00 3.69511e+02 190.798 2.53147e+02 190.798 0.9372 
1 1 1 9  19 7  o 19 5.78812e+02 2.25073e+01 2.40937e+02 44.781  2.13846e+01  2.12221e+01  0.00000e+00 0.00000e+00 5.32321e+02 44.781  2.91384e+02 44.781  0.9833 
1 1 1 9  19 8  o 18 1.16953e+02 2.12358e+01 4.57833e+00 164.940 -1.11178e-01 2.99145e-02  0.00000e+00 0.00000e+00 4.58858e+00 164.940 1.02513e-02 164.940 0.0575 
1 1 1 9  19 9  o 2  7.38465e+01 2.41420e+01 1.10433e+02 209.798 -1.70891e+00 -9.78626e-01 0.00000e+00 0.00000e+00 4.03724e+01 29.798  1.50806e+02 29.798  0.6927 
1 1 1 9  19 10 f 0  2.56654e+02 1.80556e+01 5.87890e+01 109.789 -1.41217e+00 3.92479e+00  0.00000e+00 0.00000e+00 2.48444e+02 109.789 1.89655e+02 109.789 0.8698 
1 1 1 9  19 11 o 16 1.18662e+02 2.50747e+01 1.01771e+02 215.548 -2.90887e+00 -2.07855e+00 0.00000e+00 0.00000e+00 3.69492e+01 215.548 6.48214e+01 35.548  0.8449 
1 1 1 9  19 12 o 4  9.42545e+01 2.74553e+01 5.41922e+01 116.236 -6.79400e-01 1.37854e+00  0.00000e+00 0.00000e+00 2.51789e+01 116.236 2.90133e+01 296.236 0.6051 
1 1 1 9  19 13 o 3  1.98034e+02 1.99403e+01 4.93685e+01 150.984 -2.84518e+00 1.57813e+00  0.00000e+00 0.00000e+00 1.80016e+02 150.984 1.30648e+02 150.984 0.8271 
1 1 1 9  19 14 o 9  1.65798e+02 2.31194e+01 1.16810e+02 333.398 6.86465e+00  -3.43789e+00 0.00000e+00 0.00000e+00 1.01161e+02 333.398 1.56489e+01 153.398 0.9324 
1 1 1 9  19 15 f 0  1.06541e+02 3.10443e+01 7.49158e+01 325.963 2.42895e+00  -1.64062e+00 0.00000e+00 0.00000e+00 4.68640e+01 325.963 2.80518e+01 145.963 0.8048 
1 1 1 9  19 16 o 11 9.00016e+01 2.50265e+01 5.40803e+01 132.121 -1.26122e+00 1.39481e+00  0.00000e+00 0.00000e+00 3.31593e+01 132.121 2.09210e+01 312.121 0.6771 
1 1 1 9  19 17 o 1  8.65819e+01 3.49838e+01 9.94333e+01 191.141 -3.32076e+00 -6.53955e-01 0.00000e+00 0.00000e+00 4.90209e+00 191.141 9.45312e+01 11.141  0.8348 
1 1 1 9  19 18 o 18 5.66153e+01 2.31726e+01 1.37480e+01 157.986 -4.02862e-01 1.62880e-01  0.00000e+00 0.00000e+00 3.75521e+00 157.986 9.99282e+00 337.986 0.2123 
1 1 1 9  19 19 o 12 5.02067e+01 2.38176e+01 4.65015e+01 36.389  9.77093e-01  7.20083e-01  0.00000e+00 0.00000e+00 8.34554e+00 216.389 5.48470e+01 216.389 0.5170 
1 1 1 9  19 20 o 12 9.04698e+01 3.02070e+01 5.70028e+01 307.690 1.79994e+00  -2.32970e+00 0.00000e+00 0.00000e+00 5.12075e+01 307.690 5.79535e+00 127.690 0.8058 
1 1 1 9  19 21 o 2  5.93160e+01 2.45583e+01 1.69702e+01 201.826 -6.75348e-01 -2.70479e-01 0.00000e+00 0.00000e+00 1.34231e+01 201.826 3.54709e+00 21.826  0.3416 
1 1 1 9  19 22 o 9  7.47889e+01 2.94888e+01 3.25319e+01 139.280 -1.32668e+00 1.14195e+00  0.00000e+00 0.00000e+00 4.14288e+01 139.280 8.89684e+00 139.280 0.6522 
1 1 1 9  19 23 o 1  5.89412e+01 2.53044e+01 2.51080e+01 256.092 -3.32792e-01 -1.34396e+00 0.00000e+00 0.00000e+00 2.60755e+01 256.092 9.67455e-01 256.092 0.5663 
1 1 1 9  19 24 o 11 5.77201e+01 2.57932e+01 1.31356e+01 221.516 -5.53978e-01 -4.90394e-01 0.00000e+00 0.00000e+00 1.79204e+01 221.516 4.78483e+00 221.516 0.3467 
1 1 1 9  19 25 o 8  5.21557e+01 2.39468e+01 1.80727e+01 302.197 5.47990e-01  -8.70285e-01 0.00000e+00 0.00000e+00 1.93234e+01 302.197 1.25063e+00 302.197 0.4564 
1 1 1 9  19 26 f 0  6.35091e+01 2.64758e+01 2.92352e+00 214.854 -1.77042e-01 -1.23295e-01 0.00000e+00 0.00000e+00 7.91615e+00 214.854 4.99262e+00 214.854 0.1072 
1 1 1 9  19 27 f 0  6.96409e+01 2.82328e+01 3.57957e+01 60.028  1.28578e+00  2.22954e+00  0.00000e+00 0.00000e+00 5.10031e+01 60.028  1.52075e+01 60.028  0.7728 
1 1 1 9  19 28 o 6  6.72130e+01 2.81801e+01 8.28287e+00 128.084 -3.84057e-01 4.90090e-01  0.00000e+00 0.00000e+00 2.43792e+01 128.084 1.60963e+01 128.084 0.2972 
1 1 1 9  19 29 o 3  4.73261e+01 2.27204e+01 1.28620e+01 245.767 -4.13830e-01 -9.19390e-01 0.00000e+00 0.00000e+00 2.24152e+01 245.767 9.55319e+00 245.767 0.4493 
1 1 1 9  19 30 o 11 4.92952e+01 2.35579e+01 1.62678e+01 276.681 1.54377e-01  -1.31790e+00 0.00000e+00 0.00000e+00 2.94153e+01 276.681 1.31475e+01 276.681 0.5503 
1 1 1 9  20 0  o 14 7.71362e+02 2.60005e+01 2.85849e+02 90.000  1.25316e-15  2.04657e+01  0.00000e+00 0.00000e+00 7.71067e+02 90.000  4.85218e+02 90.000  1.0000 
1 1 1 9  20 1  o 10 3.37905e+02 1.48682e+01 1.32975e+02 275.807 8.55887e-01  -8.41605e+00 0.00000e+00 0.00000e+00 3.01835e+02 275.807 1.68860e+02 275.807 0.9389 
1 1 1 9  20 2  o 8  2.86679e+02 1.84473e+01 1.16289e+02 278.051 1.04278e+00  -7.37223e+00 0.00000e+00 0.00000e+00 2.49466e+02 278.051 1.33178e+02 278.051 0.9302 
1 1 1 9  20 3  o 19 9.55404e+01 2.25399e+01 8.52902e+01 248.385 -6.50793e-01 -1.64247e+00 0.00000e+00 0.00000e+00 7.14794e-01 248.385 8.45754e+01 68.385  0.6555 
1 1 1 9  20 4  o 6  6.49475e+01 2.64365e+01 6.35501e+01 29.404  7.53625e-01  4.24706e-01  0.00000e+00 0.00000e+00 2.81189e+01 209.403 9.16690e+01 209.403 0.3965 
1 1 1 9  20 5  o 15 2.15058e+02 1.58487e+01 5.45647e+01 329.477 2.62951e+00  -1.55032e+00 0.00000e+00 0.00000e+00 1.86754e+02 329.477 1.32189e+02 329.477 0.8138 
1 1 1 9  20 6  o 3  9.96319e+01 2.64999e+01 4.36814e+01 292.009 3.89057e-01  -9.62521e-01 0.00000e+00 0.00000e+00 1.96544e+01 292.009 2.40270e+01 112.009 0.4598 
1 1 1 9  20 7  o 13 1.51647e+02 1.92438e+01 8.70175e+01 78.925  7.03942e-01  3.59645e+00  0.00000e+00 0.00000e+00 9.16419e+01 78.925  4.62445e+00 78.925  0.8493 
1 1 1 9  20 8  o 19 4.19358e+02 1.64915e+01 1.01927e+02 298.737 6.68118e+00  -1.21846e+01 0.00000e+00 0.00000e+00 4.60603e+02 298.737 3.58676e+02 298.737 0.9633 
1 1 1 9  20 9  o 6  3.26888e+02 1.62413e+01 1.36116e+02 144.571 -1.08554e+01 7.72283e+00  0.00000e+00 0.00000e+00 3.03521e+02 144.571 1.67405e+02 144.571 0.9617 
1 1 1 9  20 10 o 5  2.77767e+02 1.86180e+01 1.10681e+02 143.318 -8.16878e+00 6.08481e+00  0.00000e+00 0.00000e+00 2.59949e+02 143.318 1.49268e+02 143.318 0.9496 
1 1 1 9  20 11 o 5  2.26156e+02 1.72957e+01 1.49051e+02 306.391 6.88209e+00  -9.33781e+00 0.00000e+00 0.00000e+00 1.56330e+02 306.391 7.27860e+00 306.391 0.9559 
1 1 1 9  20 12 o 7  8.32215e+01 2.76224e+01 6.18796e+01 78.621  3.82401e-01  1.90014e+00  0.00000e+00 0.00000e+00 1.93990e+01 78.621  4.24806e+01 258.621 0.6874 
1 1 1 9  20 13 o 13 7.58692e+01 2.86024e+01 7.02889e+01 119.508 -1.02758e+00 1.81568e+00  0.00000e+00 0.00000e+00 6.89021e+00 119.508 6.33987e+01 299.508 0.7114 
1 1 1 9  20 14 o 9  1.66669e+02 2.32743e+01 8.83495e+01 273.532 3.73146e-01  -6.04600e+00 0.00000e+00 0.00000e+00 1.30775e+02 273.532 4.24251e+01 273.532 0.9132 
1 1 1 9  20 15 o 3  1.64603e+02 3.15801e+01 7.86297e+01 328.096 4.59617e+00  -2.86135e+00 0.00000e+00 0.00000e+00 1.36725e+02 328.096 5.80948e+01 328.096 0.9022 
1 1 1 9  20 16 o 10 1.74587e+02 2.43418e+01 9.63257e+01 138.813 -6.75370e+00 5.90976e+00  0.00000e+00 0.00000e+00 1.44178e+02 138.813 4.78521e+01 138.813 0.9425 
1 1 1 9  20 17 o 1  1.11439e+02 2.35780e+01 7.13852e+01 191.414 -4.32116e+00 -8.72399e-01 0.00000e+00 0.00000e+00 7.27451e+01 191.414 1.35989e+00 191.414 0.8776 
1 1 1 9  20 18 o 2  4.75718e+01 2.09614e+01 4.76539e+01 332.355 1.10010e+00  -5.76228e-01 0.00000e+00 0.00000e+00 1.04799e+01 152.355 5.81338e+01 152.355 0.5256 
1 1 1 9  20 19 o 12 6.39513e+01 2.41421e+01 3.45238e+01 258.507 -2.92318e-01 -1.43768e+00 0.00000e+00 0.00000e+00 2.19005e+01 258.507 1.26233e+01 78.507  0.5879 
1 1 1 9  20 20 o 11 6.37367e+01 2.73947e+01 4.30437e+01 77.092  4.10465e-01  1.79107e+00  0.00000e+00 0.00000e+00 2.16012e+01 77.092  2.14424e+01 257.092 0.6692 
1 1 1 9  20 21 o 9  9.13611e+01 2.98485e+01 5.00531e+01 185.345 -3.23688e+00 -3.02852e-01 0.00000e+00 0.00000e+00 6.56444e+01 185.345 1.55913e+01 185.345 0.8270 
1 1 1 9  20 22 o 19 1.27714e+02 2.44095e+01 6.37889e+01 144.967 -6.45370e+00 4.52442e+00  0.00000e+00 0.00000e+00 1.20916e+02 144.967 5.71268e+01 144.967 0.9342 
1 1 1 9  20 23 o 14 9.39106e+01 2.91070e+01 4.72494e+01 35.035  3.11422e+00  2.18345e+00  0.00000e+00 0.00000e+00 7.85442e+01 35.035  3.12947e+01 35.035  0.8555 
1 1 1 9  20 24 o 8  6.79180e+01 2.87628e+01 4.21874e+01 299.660 1.27009e+00  -2.23032e+00 0.00000e+00 0.00000e+00 4.08925e+01 299.660 1.29482e+00 119.660 0.7721 
1 1 1 9  20 25 o 5  6.17218e+01 2.70896e+01 1.91604e+01 161.494 -1.17338e+00 3.92739e-01  0.00000e+00 0.00000e+00 3.27396e+01 161.494 1.35792e+01 161.494 0.5242 
1 1 1 9  20 26 o 4  4.62156e+01 2.19805e+01 2.35681e+01 320.127 1.17010e+00  -9.77400e-01 0.00000e+00 0.00000e+00 2.16503e+01 320.127 1.91783e+00 140.127 0.6022 
1 1 1 9  20 27 o 9  4.84484e+01 2.27957e+01 1.98776e+01 97.662  -1.91761e-01 1.42533e+00  0.00000e+00 0.00000e+00 2.64332e+01 97.662  6.55551e+00 97.662  0.5805 
1 1 1 9  20 28 f 0  5.51701e+01 2.51206e+01 1.45684e+00 36.743  9.19881e-02  6.86725e-02  0.00000e+00 0.00000e+00 3.82182e+00 36.743  2.36499e+00 36.743  0.0573 
1 1 1 9  20 29 o 18 3.30915e+01 1.67766e+01 1.90982e+00 282.633 3.69848e-02  -1.65013e-01 0.00000e+00 0.00000e+00 2.81286e+00 282.633 9.03040e-01 282.633 0.0843 
1 1 1 9  21 0  o 15 6.06662e+01 3.17152e+01 2.71123e+01 90.000  1.37661e-17  2.24817e-01  0.00000e+00 0.00000e+00 8.32690e+00 270.000 3.54392e+01 270.000 0.2211 
1 1 1 9  21 1  o 8  1.14789e+02 2.05471e+01 1.09032e+02 5.076   3.45872e+00  3.07226e-01  0.00000e+00 0.00000e+00 2.59826e+01 5.076   8.30499e+01 185.076 0.8396 
1 1 1 9  21 2  o 2  2.52382e+02 1.53698e+01 1.71905e+02 151.992 -1.09985e+01 5.84996e+00  0.00000e+00 0.00000e+00 1.67395e+02 151.992 4.50980e+00 331.992 0.9590 
1 1 1 9  21 3  o 10 2.04383e+02 1.61253e+01 9.52609e+01 227.525 -3.74191e+00 -4.08716e+00 0.00000e+00 0.00000e+00 1.64251e+02 227.525 6.89898e+01 227.525 0.9046 
1 1 1 9  21 4  o 8  4.68952e+02 2.06716e+01 2.50024e+02 275.255 3.40204e+00  -3.69873e+01 0.00000e+00 0.00000e+00 4.00449e+02 275.255 1.50426e+02 275.255 0.9864 
1 1 1 9  21 5  o 9  2.06937e+02 1.74446e+01 1.40224e+02 128.029 -5.78199e+00 7.39286e+00  0.00000e+00 0.00000e+00 1.35415e+02 128.029 4.80827e+00 308.029 0.9451 
1 1 1 9  21 6  o 1  2.70395e+02 1.98293e+01 2.16495e+02 75.901  4.18487e+00  1.66614e+01  0.00000e+00 0.00000e+00 1.54345e+02 75.901  6.21496e+01 255.901 0.9704 
1 1 1 9  21 7  o 12 2.56185e+02 1.32129e+01 1.20307e+02 194.305 -9.08937e+00 -2.31772e+00 0.00000e+00 0.00000e+00 2.22989e+02 194.305 1.02682e+02 194.305 0.9451 
1 1 1 9  21 8  o 3  1.29674e+02 1.67557e+01 1.11354e+02 281.489 9.68153e-01  -4.76328e+00 0.00000e+00 0.00000e+00 5.29135e+01 281.489 5.84409e+01 101.489 0.8900 
1 1 1 9  21 9  o 15 1.77520e+02 1.93436e+01 8.99587e+01 56.684  2.97360e+00  4.52406e+00  0.00000e+00 0.00000e+00 1.38960e+02 56.684  4.90013e+01 56.684  0.9022 
1 1 1 9  21 10 o 5  1.19520e+02 2.44391e+01 5.28958e+01 104.188 -6.13066e-01 2.42486e+00  0.00000e+00 0.00000e+00 7.84449e+01 104.188 2.55491e+01 104.188 0.7651 
1 1 1 9  21 11 o 9  1.25348e+02 2.37275e+01 7.07167e+01 309.261 2.37990e+00  -2.91172e+00 0.00000e+00 0.00000e+00 8.37798e+01 309.261 1.30632e+01 309.261 0.8536 
1 1 1 9  21 12 o 7  6.32042e+01 2.57303e+01 3.53784e+01 99.156  -1.42601e-01 8.84742e-01  0.00000e+00 0.00000e+00 2.10744e+00 99.156  3.32709e+01 279.156 0.4084 
1 1 1 9  21 13 o 3  8.37027e+01 2.85103e+01 1.72843e+01 187.506 -6.41546e-01 -8.45270e-02 0.00000e+00 0.00000e+00 2.03574e+01 187.506 3.07315e+00 187.506 0.3077 
1 1 1 9  21 14 o 8  6.96379e+01 2.75242e+01 4.48693e+01 41.261  1.07498e+00  9.43087e-01  0.00000e+00 0.00000e+00 1.43934e+01 41.261  3.04759e+01 221.261 0.5784 
1 1 1 9  21 15 o 18 1.18692e+02 3.08713e+01 1.09722e+02 170.405 -5.98173e+00 1.01119e+00  0.00000e+00 0.00000e+00 5.09697e+01 170.405 5.87521e+01 350.405 0.9134 
1 1 1 9  21 16 o 19 9.71304e+01 3.59274e+01 7.62273e+01 267.516 -1.26817e-01 -2.92349e+00 0.00000e+00 0.00000e+00 4.04882e+01 267.516 3.57391e+01 87.516  0.8044 
1 1 1 9  21 17 o 16 6.91048e+01 2.50996e+01 4.39508e+01 341.664 1.76395e+00  -5.84601e-01 0.00000e+00 0.00000e+00 2.61138e+01 341.664 1.78370e+01 161.664 0.6731 
1 1 1 9  21 18 o 18 7.80023e+01 2.48046e+01 4.83382e+01 81.593  3.60328e-01  2.43798e+00  0.00000e+00 0.00000e+00 4.18800e+01 81.593  6.45823e+00 261.593 0.7611 
1 1 1 9  21 19 o 2  6.06371e+01 2.38616e+01 2.23665e+01 23.737  9.15931e-01  4.02780e-01  0.00000e+00 0.00000e+00 1.91733e+01 23.737  3.19324e+00 203.737 0.4466 
1 1 1 9  21 20 o 9  8.35620e+01 3.08293e+01 6.39483e+01 165.273 -3.55090e+00 9.33334e-01  0.00000e+00 0.00000e+00 4.60278e+01 165.273 1.79205e+01 345.273 0.8496 
1 1 1 9  21 21 o 16 7.90329e+01 3.37082e+01 5.35147e+01 29.424  2.52837e+00  1.42606e+00  0.00000e+00 0.00000e+00 4.57615e+01 29.424  7.75311e+00 209.424 0.8025 
1 1 1 9  21 22 f 0  7.11889e+01 2.66502e+01 3.01794e+01 306.662 1.20937e+00  -1.62472e+00 0.00000e+00 0.00000e+00 4.88835e+01 306.662 1.87042e+01 306.662 0.7019 
1 1 1 9  21 23 o 17 4.05294e+01 1.95722e+01 4.27019e+01 227.367 -1.53633e+00 -1.66880e+00 0.00000e+00 0.00000e+00 5.11748e+00 227.367 3.75844e+01 47.367  0.7373 
1 1 1 9  21 24 o 11 6.64179e+01 2.73947e+01 1.44175e+01 87.488  4.32185e-02  9.85245e-01  0.00000e+00 0.00000e+00 3.30669e+01 87.488  1.86494e+01 87.488  0.4415 
1 1 1 9  21 25 o 5  5.95930e+01 2.62533e+01 2.04894e+01 69.457  4.85052e-01  1.29435e+00  0.00000e+00 0.00000e+00 3.47778e+01 69.457  1.42884e+01 69.457  0.5656 
1 1 1 9  21 26 o 13 7.16978e+01 2.84081e+01 2.41739e+01 308.337 1.19444e+00  -1.51040e+00 0.00000e+00 0.00000e+00 5.74120e+01 308.337 3.32381e+01 308.337 0.6852 
1 1 1 9  21 27 o 3  5.22501e+01 2.40620e+01 2.93085e+01 184.697 -2.27334e+00 -1.86797e-01 0.00000e+00 0.00000e+00 3.56747e+01 184.697 6.36625e+00 184.697 0.7389 
1 1 1 9  21 28 o 14 5.30082e+01 2.45423e+01 5.59428e+00 22.138  4.23490e-01  1.72286e-01  0.00000e+00 0.00000e+00 1.45636e+01 22.138  8.96932e+00 22.138  0.2228 
1 1 1 9  22 0  o 12 5.94278e+02 2.23833e+01 3.08655e+02 270.000 -1.69667e-15 -2.77087e+01 0.00000e+00 0.00000e+00 5.42917e+02 270.000 2.34262e+02 270.000 1.0000 
1 1 1 9  22 1  o 6  1.35159e+02 1.68429e+01 6.80250e+01 258.910 -5.30100e-01 -2.70443e+00 0.00000e+00 0.00000e+00 8.50532e+01 258.910 1.70282e+01 258.910 0.7902 
1 1 1 9  22 2  o 11 1.26293e+02 1.81778e+01 1.13930e+02 138.757 -3.65841e+00 3.20755e+00  0.00000e+00 0.00000e+00 4.73278e+01 138.757 6.66022e+01 318.757 0.8902 
1 1 1 9  22 3  o 12 5.53720e+01 2.29837e+01 4.51395e+01 123.302 -4.41242e-01 6.71684e-01  0.00000e+00 0.00000e+00 1.55139e+01 303.302 6.06534e+01 303.302 0.3725 
1 1 1 9  22 4  o 18 3.71274e+02 1.60350e+01 1.46308e+02 77.600  3.98067e+00  1.81047e+01  0.00000e+00 0.00000e+00 3.73247e+02 77.600  2.26939e+02 77.600  0.9726 
1 1 1 9  22 5  o 6  1.55893e+02 2.39243e+01 4.19177e+01 17.130  2.04446e+00  6.30140e-01  0.00000e+00 0.00000e+00 1.19800e+02 17.130  7.78826e+01 17.130  0.7194 
1 1 1 9  22 6  o 13 7.80003e+01 2.64415e+01 4.20079e+01 45.745  7.21586e-01  7.40609e-01  0.00000e+00 0.00000e+00 9.68525e+00 45.745  3.23227e+01 225.745 0.4583 
1 1 1 9  22 7  o 11 1.49686e+02 2.01741e+01 7.59585e+01 258.080 -9.90848e-01 -4.69395e+00 0.00000e+00 0.00000e+00 1.16980e+02 258.080 4.10215e+01 258.080 0.8885 
1 1 1 9  22 8  o 13 5.31233e+01 2.10382e+01 5.08895e+01 52.894  7.27205e-01  9.61343e-01  0.00000e+00 0.00000e+00 1.10905e+01 232.894 6.19800e+01 232.894 0.5145 
1 1 1 9  22 9  o 4  5.67133e+01 2.13814e+01 2.62114e+01 88.460  1.72983e-02  6.43315e-01  0.00000e+00 0.00000e+00 8.14689e-01 268.460 2.70261e+01 268.460 0.3062 
1 1 1 9  22 10 o 17 2.51395e+02 1.77789e+01 9.78541e+01 260.910 -1.69699e+00 -1.06067e+01 0.00000e+00 0.00000e+00 2.53942e+02 260.910 1.56088e+02 260.910 0.9522 
1 1 1 9  22 11 o 6  1.01448e+02 2.59458e+01 4.47246e+01 136.566 -1.55150e+00 1.46893e+00  0.00000e+00 0.00000e+00 6.30315e+01 136.566 1.83069e+01 136.566 0.7190 
1 1 1 9  22 12 o 4  1.00810e+02 2.76549e+01 7.94565e+01 168.426 -3.60536e+00 7.38375e-01  0.00000e+00 0.00000e+00 4.78704e+01 168.426 3.15860e+01 348.426 0.8500 
1 1 1 9  22 13 o 2  3.04290e+02 1.74531e+01 1.38987e+02 348.143 2.51182e+01  -5.27334e+00 0.00000e+00 0.00000e+00 3.07077e+02 348.143 1.68090e+02 348.143 0.9803 
1 1 1 9  22 14 o 8  1.23131e+02 2.77847e+01 5.45649e+01 32.237  2.91312e+00  1.83710e+00  0.00000e+00 0.00000e+00 1.00807e+02 32.237  4.62424e+01 32.237  0.8381 
1 1 1 9  22 15 o 8  1.25075e+02 2.89566e+01 8.34015e+01 223.284 -3.61152e+00 -3.40145e+00 0.00000e+00 0.00000e+00 8.58916e+01 223.284 2.49014e+00 223.284 0.8925 
1 1 1 9  22 16 o 13 7.57528e+01 2.51969e+01 5.45731e+01 112.589 -1.04001e+00 2.49989e+00  0.00000e+00 0.00000e+00 3.64150e+01 112.589 1.81581e+01 292.588 0.7858 
1 1 1 9  22 17 o 17 6.86740e+01 2.47577e+01 4.25031e+01 245.962 -8.14973e-01 -1.82716e+00 0.00000e+00 0.00000e+00 3.13654e+01 245.962 1.11377e+01 65.962  0.6979 
1 1 1 9  22 18 o 14 1.13641e+02 2.33780e+01 2.60909e+01 232.167 -1.50797e+00 -1.94175e+00 0.00000e+00 0.00000e+00 1.08277e+02 232.167 8.21864e+01 232.167 0.7604 
1 1 1 9  22 19 o 9  9.17465e+01 2.58497e+01 6.62563e+01 90.732  -6.54433e-02 5.11996e+00  0.00000e+00 0.00000e+00 6.27808e+01 90.732  3.47551e+00 270.732 0.8961 
1 1 1 9  22 20 o 19 5.31909e+01 2.46046e+01 5.12308e+00 359.314 2.77597e-01  -3.32518e-03 0.00000e+00 0.00000e+00 6.46846e+00 359.314 1.34538e+00 359.314 0.1375 
1 1 1 9  22 21 f 0  6.07799e+01 2.89655e+01 3.27276e+01 133.854 -1.18118e+00 1.22941e+00  0.00000e+00 0.00000e+00 2.98476e+01 133.854 2.87995e+00 313.854 0.6429 
1 1 1 9  22 22 o 19 7.17567e+01 2.70931e+01 4.10620e+01 333.636 2.52232e+00  -1.25011e+00 0.00000e+00 0.00000e+00 5.13331e+01 333.636 1.02711e+01 333.636 0.7953 
1 1 1 9  22 23 o 19 6.18305e+01 2.59733e+01 2.08520e+01 298.738 7.32983e-01  -1.33670e+00 0.00000e+00 0.00000e+00 4.01097e+01 298.738 1.92577e+01 298.738 0.6021 
1 1 1 9  22 24 o 14 5.14745e+01 2.36537e+01 2.73875e+01 204.984 -1.64114e+00 -7.64738e-01 0.00000e+00 0.00000e+00 2.92532e+01 204.984 1.86570e+00 204.984 0.6641 
1 1 1 9  22 25 o 4  5.74258e+01 2.55728e+01 2.07844e+01 94.465  -1.19748e-01 1.53342e+00  0.00000e+00 0.00000e+00 3.75382e+01 94.465  1.67538e+01 94.465  0.6054 
1 1 1 9  22 26 f 0  8.12006e+01 3.01598e+01 4.73467e+01 90.458  -3.21590e-02 4.02613e+00  0.00000e+00 0.00000e+00 7.19431e+01 90.458  2.45963e+01 90.458  0.8645 
1 1 1 9  22 27 o 16 5.61933e+01 2.52747e+01 2.78273e+01 231.620 -1.42121e+00 -1.79439e+00 0.00000e+00 0.00000e+00 4.37814e+01 231.620 1.59541e+01 231.620 0.7400 
1 1 1 9  23 0  o 11 1.62623e+02 2.27094e+01 7.12582e+01 270.000 -1.57987e-16 -2.58012e+00 0.00000e+00 0.00000e+00 1.64707e+02 270.000 9.34483e+01 270.000 0.9886 
1 1 1 9  23 1  o 12 1.48342e+02 1.61713e+01 1.27589e+02 174.401 -8.37230e+00 8.20758e-01  0.00000e+00 0.00000e+00 7.68089e+01 174.401 5.07800e+01 354.401 0.9385 
1 1 1 9  23 2  o 13 1.80402e+02 1.50443e+01 3.25522e+01 109.903 -8.97078e-01 2.47772e+00  0.00000e+00 0.00000e+00 1.73905e+02 109.903 1.41353e+02 109.903 0.7789 
1 1 1 9  23 3  o 1  1.03041e+02 2.42810e+01 9.46781e+01 24.398  3.81464e+00  1.73024e+00  0.00000e+00 0.00000e+00 3.72599e+01 24.398  5.74182e+01 204.398 0.8704 
1 1 1 9  23 4  o 18 1.92579e+02 1.74583e+01 1.14036e+02 86.356  6.55581e-01  1.02929e+01  0.00000e+00 0.00000e+00 1.55634e+02 86.356  4.15981e+01 86.356  0.9502 
1 1 1 9  23 5  o 4  1.19479e+02 3.16234e+01 6.23016e+01 0.324   2.80354e+00  1.58506e-02  0.00000e+00 0.00000e+00 7.78797e+01 0.324   1.55781e+01 0.324   0.7943 
1 1 1 9  23 6  o 1  4.31760e+02 1.95447e+01 2.29767e+02 238.435 -2.31204e+01 -3.76331e+01 0.00000e+00 0.00000e+00 4.02446e+02 238.435 1.72679e+02 238.435 0.9886 
1 1 1 9  23 7  o 11 5.66580e+01 2.29189e+01 3.21545e+01 240.894 -3.65133e-01 -6.55865e-01 0.00000e+00 0.00000e+00 2.58957e+00 60.894  3.47441e+01 60.894  0.3512 
1 1 1 9  23 8  o 10 4.19148e+02 2.37279e+01 1.84141e+02 73.042  9.09034e+00  2.98106e+01  0.00000e+00 0.00000e+00 4.30958e+02 73.042  2.46817e+02 73.042  0.9838 
1 1 1 9  23 9  o 12 1.18666e+02 2.71936e+01 5.72238e+01 111.369 -1.13781e+00 2.90796e+00  0.00000e+00 0.00000e+00 8.83054e+01 111.369 3.10817e+01 111.369 0.8187 
1 1 1 9  23 10 o 13 2.00906e+02 1.51520e+01 1.16446e+02 251.350 -4.22389e+00 -1.25146e+01 0.00000e+00 0.00000e+00 1.74281e+02 251.350 5.78344e+01 251.350 0.9614 
1 1 1 9  23 11 o 14 7.59095e+01 2.74449e+01 7.54794e+01 141.903 -2.27994e+00 1.78748e+00  0.00000e+00 0.00000e+00 1.66541e+01 141.903 5.88253e+01 321.903 0.8021 
1 1 1 9  23 12 o 7  2.22123e+02 1.88173e+01 1.17418e+02 11.252  1.57497e+01  3.13346e+00  0.00000e+00 0.00000e+00 2.09958e+02 11.252  9.25404e+01 11.252  0.9683 
1 1 1 9  23 13 o 16 4.72825e+01 2.18426e+01 1.91220e+01 122.925 -2.71064e-01 4.18598e-01  0.00000e+00 0.00000e+00 1.60313e+00 302.925 2.07251e+01 302.925 0.2419 
1 1 1 9  23 14 o 8  1.63812e+02 2.85454e+01 1.04103e+02 230.244 -6.16619e+00 -7.41241e+00 0.00000e+00 0.00000e+00 1.35032e+02 230.244 3.09289e+01 230.244 0.9466 
1 1 1 9  23 15 o 8  4.90728e+01 2.29656e+01 5.05301e+01 301.479 9.38500e-01  -1.53275e+00 0.00000e+00 0.00000e+00 1.02616e-01 121.479 5.06327e+01 121.479 0.6615 
1 1 1 9  23 16 o 2  9.56253e+01 3.10378e+01 4.91391e+01 111.252 -1.03103e+00 2.65109e+00  0.00000e+00 0.00000e+00 7.03022e+01 111.252 2.11631e+01 111.252 0.7978 
1 1 1 9  23 17 o 1  6.13214e+01 2.66877e+01 6.90794e+01 57.852  1.78433e+00  2.83915e+00  0.00000e+00 0.00000e+00 1.15678e+01 57.852  5.75116e+01 237.852 0.8331 
1 1 1 9  23 18 o 17 8.05817e+01 2.60004e+01 1.13427e+01 230.183 -5.36715e-01 -6.43797e-01 0.00000e+00 0.00000e+00 3.82142e+01 230.183 2.68715e+01 230.183 0.3861 
1 1 1 9  23 19 o 1  4.78869e+01 2.16729e+01 1.36296e+01 161.970 -6.90582e-01 2.24779e-01  0.00000e+00 0.00000e+00 1.26307e+01 161.970 9.98846e-01 341.970 0.3411 
1 1 1 9  23 20 o 14 6.73956e+01 2.73102e+01 5.18281e+01 358.714 3.27535e+00  -7.35190e-02 0.00000e+00 0.00000e+00 3.88248e+01 358.714 1.30032e+01 178.714 0.8285 
1 1 1 9  23 21 o 17 4.87231e+01 2.34001e+01 3.27184e+01 240.856 -8.94062e-01 -1.60342e+00 0.00000e+00 0.00000e+00 2.07425e+01 240.856 1.19759e+01 60.856  0.6689 
1 1 1 9  23 22 o 19 7.65657e+01 2.74516e+01 1.68672e+01 136.546 -1.02377e+00 9.69972e-01  0.00000e+00 0.00000e+00 5.59061e+01 136.546 3.90389e+01 136.546 0.5732 
1 1 1 9  23 23 o 19 8.42137e+01 2.90519e+01 1.05310e+01 156.572 -7.97841e-01 3.45714e-01  0.00000e+00 0.00000e+00 4.57200e+01 156.572 3.51890e+01 156.572 0.3983 
1 1 1 9  23 24 o 7  5.83498e+01 2.53516e+01 1.57738e+01 3.221   1.17901e+00  6.63402e-02  0.00000e+00 0.00000e+00 3.44171e+01 3.221   1.86433e+01 3.221   0.5068 
1 1 1 9  23 25 o 5  4.23134e+01 2.06452e+01 2.32799e+01 350.916 1.78056e+00  -2.84698e-01 0.00000e+00 0.00000e+00 2.49000e+01 350.916 1.62009e+00 350.916 0.6627 
1 1 1 9  23 26 o 16 5.99522e+01 2.64442e+01 2.19687e+01 139.801 -1.35914e+00 1.14852e+00  0.00000e+00 0.00000e+00 4.66952e+01 139.801 2.47265e+01 139.801 0.6580 
1 1 1 9  24 0  o 16 1.86557e+02 2.19392e+01 1.24858e+02 90.000  3.23941e-16  5.29035e+00  0.00000e+00 0.00000e+00 1.55894e+02 90.000  3.10352e+01 90.000  0.9999 
1 1 1 9  24 1  o 12 3.23118e+02 1.35210e+01 1.95487e+02 111.619 -1.07778e+01 2.71949e+01  0.00000e+00 0.00000e+00 2.82537e+02 111.619 8.70497e+01 111.619 0.9828 
1 1 1 9  24 2  o 14 8.77903e+01 2.26164e+01 1.92211e+01 244.665 -2.99499e-01 -6.32592e-01 0.00000e+00 0.00000e+00 2.44420e+01 244.665 5.22091e+00 244.665 0.3301 
1 1 1 9  24 3  o 15 2.26721e+02 1.68925e+01 1.29106e+02 343.564 1.24923e+01  -3.68512e+00 0.00000e+00 0.00000e+00 1.99479e+02 343.564 7.03723e+01 343.564 0.9608 
1 1 1 9  24 4  o 5  1.83516e+02 1.86114e+01 1.10454e+02 346.907 1.06538e+01  -2.47781e+00 0.00000e+00 0.00000e+00 1.53856e+02 346.907 4.34022e+01 346.907 0.9531 
1 1 1 9  24 5  o 9  1.61559e+02 2.55649e+01 9.59300e+01 173.464 -7.34828e+00 8.41928e-01  0.00000e+00 0.00000e+00 1.31553e+02 173.464 3.56232e+01 173.464 0.9297 
1 1 1 9  24 6  o 11 1.89511e+02 1.82872e+01 1.03158e+02 181.853 -1.07077e+01 -3.46387e-01 0.00000e+00 0.00000e+00 1.70875e+02 181.853 6.77173e+01 181.853 0.9521 
1 1 1 9  24 7  f 0  2.76998e+02 1.71991e+01 9.73540e+01 64.123  6.50729e+00  1.34147e+01  0.00000e+00 0.00000e+00 3.10300e+02 64.123  2.12946e+02 64.123  0.9659 
1 1 1 9  24 8  o 10 1.35116e+02 1.76825e+01 2.58723e+01 346.055 2.08320e+00  -5.17262e-01 0.00000e+00 0.00000e+00 1.23007e+02 346.055 9.71350e+01 346.055 0.7204 
1 1 1 9  24 9  o 2  1.22075e+02 1.93215e+01 7.13389e+01 268.252 -1.64054e-01 -5.37545e+00 0.00000e+00 0.00000e+00 9.76975e+01 268.252 2.63586e+01 268.252 0.9015 
1 1 1 9  24 10 o 6  3.12091e+01 1.51489e+01 3.65021e+01 87.589  2.83193e-02  6.72563e-01  0.00000e+00 0.00000e+00 2.11435e+01 267.589 5.76456e+01 267.589 0.3189 
1 1 1 9  24 11 o 17 6.04043e+01 2.30311e+01 1.16866e+01 344.877 3.68868e-01  -9.96838e-02 0.00000e+00 0.00000e+00 5.90049e+00 344.877 5.78608e+00 164.877 0.1876 
1 1 1 9  24 12 o 19 1.29451e+02 2.42846e+01 1.08055e+02 34.085  7.29118e+00  4.93362e+00  0.00000e+00 0.00000e+00 8.21261e+01 34.085  2.59294e+01 214.084 0.9414 
1 1 1 9  24 13 o 2  8.07273e+01 2.80609e+01 6.01244e+01 257.812 -6.22251e-01 -2.88094e+00 0.00000e+00 0.00000e+00 4.20655e+01 257.812 1.80588e+01 77.812  0.8060 
1 1 1 9  24 14 o 3  1.15280e+02 3.29166e+01 1.11010e+02 205.798 -6.61488e+00 -3.19746e+00 0.00000e+00 0.00000e+00 5.83730e+01 205.798 5.26372e+01 25.798  0.9292 
1 1 1 9  24 15 o 16 6.51458e+01 2.73184e+01 2.72904e+01 138.437 -9.77637e-01 8.66861e-01  0.00000e+00 0.00000e+00 2.92180e+01 138.437 1.92757e+00 138.437 0.5446 
1 1 1 9  24 16 o 10 6.71527e+01 2.74746e+01 1.94696e+01 331.084 9.12376e-01  -5.03998e-01 0.00000e+00 0.00000e+00 3.02482e+01 331.084 1.07786e+01 331.084 0.4612 
1 1 1 9  24 17 o 6  5.65474e+01 2.54264e+01 1.26400e+01 31.356  6.02552e-01  3.67165e-01  0.00000e+00 0.00000e+00 1.77983e+01 31.356  5.15836e+00 31.356  0.3325 
1 1 1 9  24 18 o 4  8.69603e+01 3.11260e+01 6.64499e+01 26.325  3.95401e+00  1.95634e+00  0.00000e+00 0.00000e+00 5.81940e+01 26.325  8.25585e+00 206.325 0.8777 
1 1 1 9  24 19 o 11 5.24849e+01 2.29985e+01 2.46683e+01 176.757 -1.44582e+00 8.19312e-02  0.00000e+00 0.00000e+00 2.57757e+01 176.757 1.10740e+00 176.757 0.5830 
1 1 1 9  24 20 o 8  9.26130e+01 2.99362e+01 2.53888e+01 195.096 -1.95310e+00 -5.26844e-01 0.00000e+00 0.00000e+00 8.27649e+01 195.096 5.73761e+01 195.096 0.7015 
1 1 1 9  24 21 o 11 8.37978e+01 3.19030e+01 3.76950e+01 342.492 2.63176e+00  -8.30217e-01 0.00000e+00 0.00000e+00 7.37277e+01 342.492 3.60326e+01 342.492 0.7905 
1 1 1 9  24 22 o 14 7.45376e+01 3.09151e+01 2.19785e+01 166.984 -1.47241e+00 3.40362e-01  0.00000e+00 0.00000e+00 5.39263e+01 166.984 3.19479e+01 166.984 0.5989 
1 1 1 9  24 23 o 7  5.06632e+01 2.31835e+01 2.69125e+01 183.213 -1.96153e+00 -1.10104e-01 0.00000e+00 0.00000e+00 3.33699e+01 183.213 6.45737e+00 183.213 0.6919 
1 1 1 9  24 24 o 19 5.50497e+01 2.45638e+01 3.12399e+01 46.039  1.69737e+00  1.76007e+00  0.00000e+00 0.00000e+00 4.14638e+01 46.039  1.02239e+01 46.039  0.7589 
1 1 1 9  24 25 o 10 3.45771e+01 1.73190e+01 1.60885e+01 78.145  2.89744e-01  1.38028e+00  0.00000e+00 0.00000e+00 1.88305e+01 78.145  2.74195e+00 78.145  0.5732 
1 1 1 9  25 0  f 0  1.96299e+02 2.15899e+01 7.18604e+01 90.000  2.79170e-16  4.55920e+00  0.00000e+00 0.00000e+00 2.31321e+02 90.000  1.59460e+02 90.000  0.9998 
1 1 1 9  25 1  o 16 1.61130e+02 1.61036e+01 1.15590e+02 284.251 2.92379e+00  -1.15116e+01 0.00000e+00 0.00000e+00 1.22668e+02 284.251 7.07794e+00 284.251 0.9569 
1 1 1 9  25 2  o 9  1.68013e+02 1.62612e+01 8.26355e+01 319.541 6.70858e+00  -5.72139e+00 0.00000e+00 0.00000e+00 1.61968e+02 319.541 7.93324e+01 319.541 0.9415 
1 1 1 9  25 3  o 14 8.49649e+01 2.72099e+01 3.93532e+01 134.651 -1.20666e+00 1.22143e+00  0.00000e+00 0.00000e+00 4.55483e+01 134.651 6.19503e+00 134.651 0.6454 
1 1 1 9  25 4  o 11 1.14207e+02 3.15124e+01 2.19020e+01 154.697 -1.08693e+00 5.13855e-01  0.00000e+00 0.00000e+00 6.90590e+01 154.697 4.71570e+01 154.697 0.5135 
1 1 1 9  25 5  o 19 1.01145e+02 3.09606e+01 4.75379e+01 202.591 -2.15260e+00 -8.95659e-01 0.00000e+00 0.00000e+00 6.96615e+01 202.591 2.21236e+01 202.591 0.7454 
1 1 1 9  25 6  o 15 9.97302e+01 2.60828e+01 7.14564e+01 49.086  2.30905e+00  2.66431e+00  0.00000e+00 0.00000e+00 5.95175e+01 49.086  1.19389e+01 229.086 0.8424 
1 1 1 9  25 7  o 17 1.71282e+02 1.92118e+01 1.12989e+02 63.439  4.83319e+00  9.66815e+00  0.00000e+00 0.00000e+00 1.42191e+02 63.439  2.92018e+01 63.439  0.9526 
1 1 1 9  25 8  o 6  1.48127e+02 1.73616e+01 6.38066e+01 210.263 -4.93210e+00 -2.87776e+00 0.00000e+00 0.00000e+00 1.47261e+02 210.263 8.34543e+01 210.263 0.9076 
1 1 1 9  25 9  o 9  7.76310e+01 2.22163e+01 4.06226e+01 249.937 -7.20895e-01 -1.97391e+00 0.00000e+00 0.00000e+00 4.67411e+01 249.937 6.11846e+00 249.937 0.7137 
1 1 1 9  25 10 o 4  4.87793e+01 2.03874e+01 3.28416e+01 270.272 5.68594e-03  -1.19625e+00 0.00000e+00 0.00000e+00 6.69672e+00 270.272 2.61449e+01 90.272  0.5116 
1 1 1 9  25 11 o 5  6.59299e+01 2.36195e+01 2.89857e+01 58.610  7.13507e-01  1.16935e+00  0.00000e+00 0.00000e+00 3.00563e+01 58.610  1.07052e+00 58.610  0.5623 
1 1 1 9  25 12 o 9  7.08262e+01 2.64166e+01 3.78138e+01 230.613 -1.18387e+00 -1.44196e+00 0.00000e+00 0.00000e+00 3.87082e+01 230.613 8.94451e-01 230.613 0.6744 
1 1 1 9  25 13 f 0  6.55541e+01 2.65473e+01 1.55006e+01 215.200 -6.26443e-01 -4.41901e-01 0.00000e+00 0.00000e+00 2.22961e+01 215.200 6.79556e+00 215.200 0.3577 
1 1 1 9  25 14 o 3  6.27262e+01 2.66134e+01 1.83236e+01 80.862  1.50290e-01  9.34300e-01  0.00000e+00 0.00000e+00 2.51539e+01 80.862  6.83034e+00 80.862  0.4270 
1 1 1 9  25 15 o 14 5.69642e+01 2.52432e+01 5.18921e+01 128.718 -1.73935e+00 2.16965e+00  0.00000e+00 0.00000e+00 2.19077e+01 128.718 2.99844e+01 308.718 0.7924 
1 1 1 9  25 16 o 1  5.65302e+01 2.53068e+01 2.69123e+01 342.040 1.39430e+00  -4.51967e-01 0.00000e+00 0.00000e+00 2.78193e+01 342.040 9.06939e-01 342.040 0.5875 
1 1 1 9  25 17 o 14 7.85088e+01 3.32466e+01 4.05705e+01 302.927 1.26526e+00  -1.95378e+00 0.00000e+00 0.00000e+00 5.66002e+01 302.927 1.60297e+01 302.927 0.7449 
1 1 1 9  25 18 o 18 5.49721e+01 2.52150e+01 3.60245e+01 127.367 -1.23839e+00 1.62167e+00  0.00000e+00 0.00000e+00 2.88789e+01 127.367 7.14566e+00 307.367 0.7043 
1 1 1 9  25 19 o 8  9.80029e+01 2.84701e+01 3.63895e+01 334.868 3.12597e+00  -1.46645e+00 0.00000e+00 0.00000e+00 1.02673e+02 334.868 6.62837e+01 334.868 0.8386 
1 1 1 9  25 20 o 5  7.76134e+01 2.89935e+01 3.80275e+01 268.153 -9.35210e-02 -2.89972e+00 0.00000e+00 0.00000e+00 6.83916e+01 268.153 3.03640e+01 268.153 0.8024 
1 1 1 9  25 21 o 5  6.55571e+01 2.64303e+01 3.62712e+01 91.395  -6.63629e-02 2.72475e+00  0.00000e+00 0.00000e+00 5.28587e+01 91.395  1.65875e+01 91.395  0.7875 
1 1 1 9  25 22 o 4  3.81804e+01 1.92764e+01 2.48669e+01 36.591  1.53871e+00  1.14236e+00  0.00000e+00 0.00000e+00 2.06845e+01 36.591  4.18232e+00 216.591 0.6836 
1 1 1 9  25 23 o 5  5.20030e+01 2.35229e+01 1.06469e+01 276.630 9.79481e-02  -8.42619e-01 0.00000e+00 0.00000e+00 2.51613e+01 276.630 1.45145e+01 276.630 0.3901 
1 1 1 9  25 24 o 10 5.15163e+01 2.35537e+01 1.06399e+01 77.865  1.84534e-01  8.58231e-01  0.00000e+00 0.00000e+00 2.63026e+01 77.865  1.56627e+01 77.865  0.4014 
1 1 1 9  26 0  o 8  4.10085e+01 2.66354e+01 7.80089e+01 90.000  5.83440e-17  9.52829e-01  0.00000e+00 0.00000e+00 2.97680e+01 270.000 1.07777e+02 270.000 0.7411 
1 1 1 9  26 1  o 9  7.91304e+01 2.38031e+01 2.25745e+01 56.998  5.26574e-01  8.10783e-01  0.00000e+00 0.00000e+00 3.20167e+01 56.998  9.44221e+00 56.998  0.4345 
1 1 1 9  26 2  o 4  1.26280e+02 1.98856e+01 1.08248e+02 333.704 7.14844e+00  -3.53234e+00 0.00000e+00 0.00000e+00 7.93719e+01 333.704 2.88757e+01 153.704 0.9350 
1 1 1 9  26 3  o 2  7.61304e+01 2.63480e+01 5.03141e+01 259.548 -3.55228e-01 -1.92562e+00 0.00000e+00 0.00000e+00 3.33556e+01 259.548 1.69585e+01 79.548  0.6908 
1 1 1 9  26 4  o 8  8.65934e+01 3.61679e+01 1.24565e+02 155.715 -4.60138e+00 2.07611e+00  0.00000e+00 0.00000e+00 1.11273e+00 335.715 1.25678e+02 335.715 0.8945 
1 1 1 9  26 5  o 4  9.44080e+01 2.62842e+01 5.78732e+01 56.956  1.80418e+00  2.77358e+00  0.00000e+00 0.00000e+00 6.73689e+01 56.956  9.49569e+00 56.956  0.8305 
1 1 1 9  26 6  o 4  1.51892e+02 2.10642e+01 7.24760e+01 338.243 7.57245e+00  -3.02223e+00 0.00000e+00 0.00000e+00 1.55388e+02 338.243 8.29120e+01 338.243 0.9365 
1 1 1 9  26 7  o 10 1.02313e+02 2.57478e+01 3.74203e+01 216.107 -2.01625e+00 -1.47067e+00 0.00000e+00 0.00000e+00 8.82914e+01 216.107 5.08711e+01 216.107 0.7645 
1 1 1 9  26 8  o 16 9.29278e+01 2.75555e+01 4.41906e+01 13.810  2.56885e+00  6.31449e-01  0.00000e+00 0.00000e+00 7.27308e+01 13.810  2.85402e+01 13.810  0.7799 
1 1 1 9  26 9  f 0  6.23697e+01 2.21330e+01 4.90395e+01 121.843 -1.27983e+00 2.06070e+00  0.00000e+00 0.00000e+00 2.74222e+01 121.843 2.16173e+01 301.843 0.7567 
1 1 1 9  26 10 o 7  1.01884e+02 2.67593e+01 4.24122e+01 200.387 -3.05140e+00 -1.13401e+00 0.00000e+00 0.00000e+00 9.47928e+01 200.387 5.23806e+01 200.387 0.8272 
1 1 1 9  26 11 o 3  4.50941e+01 1.98468e+01 2.95442e+01 291.551 4.89768e-01  -1.24011e+00 0.00000e+00 0.00000e+00 1.12047e+01 291.551 1.83396e+01 111.551 0.5521 
1 1 1 9  26 12 o 14 5.14629e+01 2.17632e+01 1.95453e+01 56.271  5.45643e-01  8.17252e-01  0.00000e+00 0.00000e+00 1.77468e+01 56.271  1.79854e+00 236.271 0.4402 
1 1 1 9  26 13 o 5  6.35063e+01 2.61759e+01 8.05317e+01 196.402 -4.44585e+00 -1.30869e+00 0.00000e+00 0.00000e+00 1.24809e+01 196.402 6.80508e+01 16.402  0.8842 
1 1 1 9  26 14 o 8  8.45580e+01 3.09968e+01 5.05676e+01 37.216  2.60935e+00  1.98172e+00  0.00000e+00 0.00000e+00 6.62781e+01 37.216  1.57105e+01 37.216  0.8285 
1 1 1 9  26 15 o 17 6.82717e+01 2.82329e+01 3.95207e+01 338.450 2.19571e+00  -8.67112e-01 0.00000e+00 0.00000e+00 4.63864e+01 338.450 6.86568e+00 338.450 0.7490 
1 1 1 9  26 16 o 16 5.61843e+01 2.54226e+01 1.30378e+01 230.605 -4.75369e-01 -5.78822e-01 0.00000e+00 0.00000e+00 2.03051e+01 230.605 7.26725e+00 230.605 0.3505 
1 1 1 9  26 17 o 16 7.29645e+01 2.92692e+01 3.09459e+01 56.752  1.15413e+00  1.76046e+00  0.00000e+00 0.00000e+00 5.80413e+01 56.752  2.70954e+01 56.752  0.7143 
1 1 1 9  26 18 o 6  7.32070e+01 2.94955e+01 1.62066e+01 217.765 -9.09827e-01 -7.04850e-01 0.00000e+00 0.00000e+00 4.65060e+01 217.765 3.02994e+01 217.765 0.4973 
1 1 1 9  26 19 f 0  1.40117e+02 2.75829e+01 3.75396e+01 205.302 -4.93936e+00 -2.33501e+00 0.00000e+00 0.00000e+00 1.82482e+02 205.302 1.44942e+02 205.302 0.9031 
1 1 1 9  26 20 o 4  7.89388e+01 2.77929e+01 2.57893e+01 325.322 1.87050e+00  -1.29411e+00 0.00000e+00 0.00000e+00 7.65142e+01 325.322 5.07249e+01 325.322 0.7381 
1 1 1 9  26 21 o 13 6.75768e+01 2.82008e+01 1.77080e+01 347.280 1.33363e+00  -3.01041e-01 0.00000e+00 0.00000e+00 4.96158e+01 347.280 3.19079e+01 347.280 0.5615 
1 1 1 9  26 22 f 0  5.89031e+01 2.74592e+01 1.06846e+01 157.365 -7.03996e-01 2.93551e-01  0.00000e+00 0.00000e+00 2.69325e+01 157.365 1.62479e+01 157.365 0.3561 
1 1 1 9  26 23 o 16 4.54161e+01 2.23968e+01 1.53024e+01 56.505  6.59322e-01  9.96304e-01  0.00000e+00 0.00000e+00 2.68065e+01 56.505  1.15041e+01 56.505  0.5111 
1 1 1 9  27 0  o 3  1.78864e+02 4.19477e+01 1.66820e+02 270.000 -5.55379e-16 -9.07002e+00 0.00000e+00 0.00000e+00 1.25247e+02 270.000 4.15730e+01 90.000  1.0000 
1 1 1 9  27 1  o 4  4.79999e+01 2.08950e+01 5.54722e+01 91.813  -6.56371e-02 2.07337e+00  0.00000e+00 0.00000e+00 1.61601e-01 91.813  5.53106e+01 271.813 0.7096 
1 1 1 9  27 2  o 5  1.19016e+02 2.09956e+01 7.85481e+01 93.220  -4.07473e-01 7.24299e+00  0.00000e+00 0.00000e+00 1.02035e+02 93.220  2.34868e+01 93.220  0.9283 
1 1 1 9  27 3  o 2  4.95720e+01 2.22493e+01 5.45737e+01 287.361 6.04329e-01  -1.93308e+00 0.00000e+00 0.00000e+00 2.37100e+00 287.361 5.22027e+01 107.361 0.7019 
1 1 1 9  27 4  o 17 7.24605e+01 2.90347e+01 2.42433e+01 216.037 -9.20960e-01 -6.70023e-01 0.00000e+00 0.00000e+00 3.43778e+01 216.037 1.01346e+01 216.037 0.4934 
1 1 1 9  27 5  o 7  6.18163e+01 2.51941e+01 4.63574e+01 72.661  6.20430e-01  1.98715e+00  0.00000e+00 0.00000e+00 2.58399e+01 72.661  2.05176e+01 252.661 0.7108 
1 1 1 9  27 6  o 7  7.29669e+01 2.70374e+01 5.72322e+01 40.821  2.36489e+00  2.04281e+00  0.00000e+00 0.00000e+00 4.12181e+01 40.821  1.60141e+01 220.821 0.8188 
1 1 1 9  27 7  o 8  7.40662e+01 2.84049e+01 7.05395e+01 231.811 -2.29840e+00 -2.92189e+00 0.00000e+00 0.00000e+00 3.37493e+01 231.811 3.67902e+01 51.811  0.8517 
1 1 1 9  27 8  o 6  5.40206e+01 2.20975e+01 4.54747e+01 249.268 -8.09254e-01 -2.13798e+00 0.00000e+00 0.00000e+00 2.08249e+01 249.268 2.46498e+01 69.268  0.7396 
1 1 1 9  27 9  o 3  7.43455e+01 2.30613e+01 3.22750e+01 91.662  -6.51265e-02 2.24511e+00  0.00000e+00 0.00000e+00 5.87094e+01 91.662  2.64344e+01 91.662  0.7343 
1 1 1 9  27 10 o 5  1.21491e+02 2.55867e+01 6.66313e+01 103.067 -1.70157e+00 7.33142e+00  0.00000e+00 0.00000e+00 1.22776e+02 103.067 5.61445e+01 103.067 0.9310 
1 1 1 9  27 11 o 18 1.01597e+02 2.18859e+01 2.85685e+01 19.168  3.12730e+00  1.08706e+00  0.00000e+00 0.00000e+00 1.13492e+02 19.168  8.49236e+01 19.168  0.8306 
1 1 1 9  27 12 o 7  3.74397e+01 1.77906e+01 3.02913e+01 241.093 -7.14670e-01 -1.29424e+00 0.00000e+00 0.00000e+00 7.16057e+00 241.093 2.31308e+01 61.093  0.5908 
1 1 1 9  27 13 o 5  5.20670e+01 2.23898e+01 2.87344e+01 276.505 1.95751e-01  -1.71667e+00 0.00000e+00 0.00000e+00 2.87233e+01 276.505 1.11448e-02 96.505  0.6476 
1 1 1 9  27 14 o 14 4.63409e+01 2.19530e+01 2.44202e+01 130.326 -8.72984e-01 1.02846e+00  0.00000e+00 0.00000e+00 1.98265e+01 130.326 4.59371e+00 310.325 0.5565 
1 1 1 9  27 15 o 8  4.22040e+01 2.05042e+01 7.78713e+00 53.003  2.58625e-01  3.43242e-01  0.00000e+00 0.00000e+00 7.53514e+00 53.003  2.51995e-01 233.003 0.2101 
1 1 1 9  27 16 o 4  6.30387e+01 2.70018e+01 3.52113e+01 283.012 5.47823e-01  -2.37056e+00 0.00000e+00 0.00000e+00 4.79639e+01 283.012 1.27527e+01 283.012 0.7575 
1 1 1 9  27 17 o 17 6.31307e+01 2.73480e+01 7.17497e+00 103.717 -1.12679e-01 4.61619e-01  0.00000e+00 0.00000e+00 1.84519e+01 103.717 1.12770e+01 103.717 0.2311 
1 1 1 9  27 18 o 16 5.27787e+01 2.49970e+01 1.93045e+01 3.341   1.24577e+00  7.27277e-02  0.00000e+00 0.00000e+00 3.00143e+01 3.341   1.07098e+01 3.341   0.5274 
1 1 1 9  27 19 f 0  6.59430e+01 3.06213e+01 9.15969e+00 225.876 -3.95803e-01 -4.08101e-01 0.00000e+00 0.00000e+00 2.30805e+01 225.876 1.39208e+01 225.876 0.2734 
1 1 1 9  27 20 o 9  5.47999e+01 2.42728e+01 1.51591e+01 115.877 -5.15081e-01 1.06184e+00  0.00000e+00 0.00000e+00 3.49841e+01 115.877 1.98250e+01 115.877 0.5066 
1 1 1 9  27 21 o 3  4.61969e+01 2.16775e+01 7.62372e+00 124.091 -3.42396e-01 5.05892e-01  0.00000e+00 0.00000e+00 1.69961e+01 124.091 9.37235e+00 124.091 0.2920 
1 1 1 9  28 0  o 15 4.03930e+01 2.64038e+01 2.07703e+01 90.000  2.69399e-17  4.39963e-01  0.00000e+00 0.00000e+00 7.32259e+00 90.000  1.34477e+01 270.000 0.4136 
1 1 1 9  28 1  o 2  5.75368e+01 2.28203e+01 5.85310e+01 259.144 -5.77347e-01 -3.01049e+00 0.00000e+00 0.00000e+00 2.03096e+01 259.144 3.82215e+01 79.144  0.8147 
1 1 1 9  28 2  o 12 6.53403e+01 2.39030e+01 2.04557e+01 220.391 -8.91088e-01 -7.58132e-01 0.00000e+00 0.00000e+00 3.49059e+01 220.391 1.44502e+01 220.391 0.5034 
1 1 1 9  28 3  o 6  5.47231e+01 2.46413e+01 7.67946e+01 122.951 -2.02966e+00 3.13129e+00  0.00000e+00 0.00000e+00 1.81331e+00 122.951 7.49813e+01 302.951 0.8523 
1 1 1 9  28 4  o 13 6.45158e+01 2.76465e+01 4.48433e+01 23.015  2.11062e+00  8.96547e-01  0.00000e+00 0.00000e+00 3.58126e+01 23.015  9.03071e+00 203.015 0.7405 
1 1 1 9  28 5  o 14 5.19501e+01 2.34388e+01 8.98643e+01 314.199 3.00344e+00  -3.08859e+00 0.00000e+00 0.00000e+00 1.29985e+01 134.199 1.02863e+02 134.199 0.8744 
1 1 1 9  28 6  o 18 5.55361e+01 2.42038e+01 4.04839e+01 160.675 -2.08556e+00 7.31364e-01  0.00000e+00 0.00000e+00 2.82538e+01 160.675 1.22301e+01 340.675 0.7294 
1 1 1 9  28 7  o 11 5.24269e+01 2.36003e+01 2.02085e+01 170.878 -1.11328e+00 1.78756e-01  0.00000e+00 0.00000e+00 2.35034e+01 170.878 3.29496e+00 170.878 0.4898 
1 1 1 9  28 8  o 14 4.98749e+01 2.13579e+01 4.89221e+00 342.928 2.71801e-01  -8.34720e-02 0.00000e+00 0.00000e+00 7.10351e+00 342.928 2.21130e+00 342.928 0.1407 
1 1 1 9  28 9  o 17 7.75254e+01 2.35005e+01 4.05117e+00 124.876 -1.85812e-01 2.66598e-01  0.00000e+00 0.00000e+00 1.72863e+01 124.876 1.32351e+01 124.876 0.1604 
1 1 1 9  28 10 o 11 9.45761e+01 2.23626e+01 5.31597e+01 25.993  5.06525e+00  2.46972e+00  0.00000e+00 0.00000e+00 9.46478e+01 25.993  4.14880e+01 25.993  0.9063 
1 1 1 9  28 11 o 1  5.11508e+01 2.14094e+01 3.32971e+01 97.724  -2.74866e-01 2.02656e+00  0.00000e+00 0.00000e+00 2.92226e+01 97.724  4.07448e+00 277.724 0.7050 
1 1 1 9  28 12 o 5  6.10053e+01 2.32115e+01 5.35040e+01 224.237 -2.62380e+00 -2.55485e+00 0.00000e+00 0.00000e+00 3.68228e+01 224.237 1.66812e+01 44.237  0.8491 
1 1 1 9  28 13 o 15 4.56422e+01 2.06889e+01 2.73662e+01 336.935 1.62205e+00  -6.90704e-01 0.00000e+00 0.00000e+00 2.50719e+01 336.935 2.29428e+00 156.935 0.6548 
1 1 1 9  28 14 o 13 4.26843e+01 1.99098e+01 1.08343e+01 12.305  7.23944e-01  1.57908e-01  0.00000e+00 0.00000e+00 1.53468e+01 12.305  4.51249e+00 12.305  0.3472 
1 1 1 9  28 15 o 17 4.70922e+01 2.23822e+01 3.55682e+01 175.205 -2.26095e+00 1.89674e-01  0.00000e+00 0.00000e+00 2.62269e+01 175.205 9.34129e+00 355.205 0.7373 
1 1 1 9  28 16 o 2  4.66284e+01 2.23485e+01 1.14936e+01 341.049 7.16993e-01  -2.46197e-01 0.00000e+00 0.00000e+00 1.81284e+01 341.049 6.63477e+00 341.049 0.3542 
1 1 1 9  28 17 o 13 5.16117e+01 2.42045e+01 2.99162e+01 228.294 -1.36930e+00 -1.53653e+00 0.00000e+00 0.00000e+00 3.60879e+01 228.294 6.17165e+00 228.294 0.7071 
1 1 1 9  28 18 o 12 5.43822e+01 2.64077e+01 6.80507e+00 175.831 -4.58401e-01 3.34140e-02  0.00000e+00 0.00000e+00 1.54168e+01 175.831 8.61172e+00 175.831 0.2239 
1 1 1 9  28 19 o 6  5.58915e+01 2.61338e+01 1.79846e+01 15.042  1.25401e+00  3.36996e-01  0.00000e+00 0.00000e+00 3.78322e+01 15.042  1.98476e+01 15.042  0.5422 
1 1 1 9  28 20 f 0  5.55434e+01 2.59962e+01 2.37343e+01 40.269  1.33792e+00  1.13338e+00  0.00000e+00 0.00000e+00 4.37091e+01 40.269  1.99748e+01 40.269  0.6528 
1 1 1 9  29 0  o 17 3.41829e+01 2.36022e+01 5.85113e+01 90.000  8.70214e-17  1.42117e+00  0.00000e+00 0.00000e+00 5.78645e+00 270.000 6.42977e+01 270.000 0.8898 
1 1 1 9  29 1  o 13 5.30078e+01 2.23740e+01 9.89302e+00 123.641 -3.16808e-01 4.76098e-01  0.00000e+00 0.00000e+00 1.53673e+01 123.641 5.47427e+00 123.641 0.2748 
1 1 1 9  29 2  f 0  5.07802e+01 2.17497e+01 1.23072e+01 309.304 4.42802e-01  -5.40919e-01 0.00000e+00 0.00000e+00 1.67496e+01 309.304 4.44240e+00 309.304 0.3298 
1 1 1 9  29 3  o 19 6.79394e+01 2.81392e+01 3.98266e+01 32.965  1.93633e+00  1.25580e+00  0.00000e+00 0.00000e+00 4.77986e+01 32.965  7.97205e+00 32.965  0.7424 
1 1 1 9  29 4  o 2  5.12296e+01 2.32389e+01 2.13402e+01 147.311 -9.62568e-01 6.17690e-01  0.00000e+00 0.00000e+00 2.27935e+01 147.311 1.45329e+00 147.311 0.4950 
1 1 1 9  29 5  o 14 5.32614e+01 2.38262e+01 4.27350e+01 226.935 -1.63921e+00 -1.75384e+00 0.00000e+00 0.00000e+00 2.72920e+01 226.935 1.54430e+01 46.935  0.7537 
1 1 1 9  29 6  o 13 5.44897e+01 2.42100e+01 4.69331e+01 227.629 -1.78123e+00 -1.95272e+00 0.00000e+00 0.00000e+00 2.73825e+01 227.629 1.95506e+01 47.629  0.7797 
1 1 1 9  29 7  o 17 6.19001e+01 2.63713e+01 2.66734e+01 52.231  9.73552e-01  1.25651e+00  0.00000e+00 0.00000e+00 4.04057e+01 52.231  1.37323e+01 52.231  0.6175 
1 1 1 9  29 8  o 3  9.51450e+01 2.36173e+01 3.02965e+01 91.633  -9.07995e-02 3.18424e+00  0.00000e+00 0.00000e+00 1.07612e+02 91.633  7.73158e+01 91.633  0.8228 
1 1 1 9  29 9  f 0  5.34883e+01 2.21297e+01 2.60951e+01 350.033 1.67284e+00  -2.93970e-01 0.00000e+00 0.00000e+00 3.46100e+01 350.033 8.51481e+00 350.033 0.6415 
1 1 1 9  29 10 o 4  7.58339e+01 2.41276e+01 4.41584e+01 301.284 2.05688e+00  -3.38508e+00 0.00000e+00 0.00000e+00 7.20450e+01 301.284 2.78865e+01 301.284 0.8620 
1 1 1 9  29 11 o 12 6.49163e+01 2.40063e+01 4.25737e+01 236.922 -1.92321e+00 -2.95267e+00 0.00000e+00 0.00000e+00 5.51465e+01 236.922 1.25728e+01 236.922 0.8423 
1 1 1 9  29 12 o 11 5.64380e+01 2.27988e+01 1.60746e+01 48.030  8.08594e-01  8.98972e-01  0.00000e+00 0.00000e+00 3.62309e+01 48.030  2.01563e+01 48.030  0.5156 
1 1 1 9  29 13 o 19 4.18312e+01 1.95739e+01 3.13774e+01 94.081  -1.46902e-01 2.05902e+00  0.00000e+00 0.00000e+00 2.21981e+01 94.081  9.17933e+00 274.081 0.7080 
1 1 1 9  29 14 o 19 5.08562e+01 2.24664e+01 1.18540e+01 149.290 -7.76946e-01 4.61495e-01  0.00000e+00 0.00000e+00 2.62328e+01 149.290 1.43788e+01 149.290 0.4112 
1 1 1 9  29 15 o 17 5.84059e+01 2.60646e+01 2.79310e+01 250.275 -6.54925e-01 -1.82668e+00 0.00000e+00 0.00000e+00 4.57627e+01 250.275 1.78318e+01 250.275 0.6878 
1 1 1 9  29 16 o 1  5.55753e+01 2.53282e+01 2.28128e+01 87.894  6.13254e-02  1.66794e+00  0.00000e+00 0.00000e+00 4.24620e+01 87.894  1.96492e+01 87.894  0.6352 
1 1 1 9  29 17 o 17 4.62254e+01 2.23720e+01 1.16871e+01 110.773 -3.07630e-01 8.10987e-01  0.00000e+00 0.00000e+00 2.25649e+01 110.773 1.08778e+01 110.773 0.3974 
1 1 1 9  29 18 f 0  4.54685e+01 2.26713e+01 1.26408e+01 223.664 -6.86544e-01 -6.55258e-01 0.00000e+00 0.00000e+00 2.39676e+01 223.664 1.13268e+01 223.664 0.4280 
1 1 1 9  30 0  o 7  2.77584e+01 1.99532e+01 2.98365e+01 90.000  4.32442e-17  7.06232e-01  0.00000e+00 0.00000e+00 3.68072e-01 90.000  2.94685e+01 270.000 0.6083 
1 1 1 9  30 1  o 16 4.86556e+01 2.14879e+01 3.66191e+01 331.759 1.91061e+00  -1.02620e+00 0.00000e+00 0.00000e+00 2.63769e+01 331.759 1.02422e+01 151.759 0.7236 
1 1 1 9  30 2  o 11 3.60758e+01 1.75284e+01 1.21038e+01 199.371 -6.02255e-01 -2.11741e-01 0.00000e+00 0.00000e+00 7.53148e+00 199.371 4.57229e+00 19.371  0.3040 
1 1 1 9  30 3  o 11 3.49646e+01 1.72983e+01 2.66883e+01 87.985  4.84107e-02  1.37569e+00  0.00000e+00 0.00000e+00 8.67261e+00 87.985  1.80157e+01 267.985 0.5641 
1 1 1 9  30 4  o 10 5.36097e+01 2.41164e+01 4.47176e+01 348.840 2.59671e+00  -5.12266e-01 0.00000e+00 0.00000e+00 3.03891e+01 348.840 1.43286e+01 168.840 0.7801 
1 1 1 9  30 5  o 5  4.28598e+01 2.05331e+01 3.72729e+01 149.884 -1.80835e+00 1.04894e+00  0.00000e+00 0.00000e+00 1.76665e+01 149.884 1.96064e+01 329.884 0.7121 
1 1 1 9  30 6  o 7  5.27647e+01 2.41342e+01 4.43758e+01 155.352 -2.50524e+00 1.14950e+00  0.00000e+00 0.00000e+00 3.08890e+01 155.352 1.34868e+01 335.352 0.7902 
1 1 1 9  30 7  o 14 5.89833e+01 2.55768e+01 6.62535e+00 324.798 3.48001e-01  -2.45504e-01 0.00000e+00 0.00000e+00 1.56204e+01 324.798 8.99504e+00 324.798 0.2083 
1 1 1 9  30 8  o 7  4.35735e+01 2.05607e+01 1.31380e+01 17.346  8.39695e-01  2.62284e-01  0.00000e+00 0.00000e+00 1.87165e+01 17.346  5.57856e+00 17.346  0.4021 
1 1 1 9  30 9  o 2  6.66626e+01 2.42101e+01 6.32171e+00 68.863  1.86546e-01  4.82511e-01  0.00000e+00 0.00000e+00 2.41501e+01 68.863  1.78284e+01 68.863  0.2504 
1 1 1 9  30 10 o 16 1.07140e+02 2.33024e+01 4.85133e+01 230.699 -4.20365e+00 -5.13564e+00 0.00000e+00 0.00000e+00 1.32550e+02 230.699 8.40364e+01 230.699 0.9212 
1 1 1 9  30 11 o 8  7.93503e+01 2.45474e+01 3.75410e+01 242.723 -1.69091e+00 -3.27935e+00 0.00000e+00 0.00000e+00 8.69082e+01 242.723 4.93672e+01 242.723 0.8504 
1 1 1 9  30 12 o 16 6.37522e+01 2.41724e+01 1.91414e+01 41.660  1.21975e+00  1.08524e+00  0.00000e+00 0.00000e+00 5.50348e+01 41.660  3.58934e+01 41.660  0.6273 
1 1 1 9  30 13 o 2  4.08788e+01 1.91700e+01 4.26598e+00 226.090 -2.40362e-01 -2.49685e-01 0.00000e+00 0.00000e+00 8.76244e+00 226.090 4.49646e+00 226.090 0.1707 
1 1 1 9  30 14 f 0  5.03115e+01 2.24306e+01 1.19934e+01 118.012 -4.44665e-01 8.35875e-01  0.00000e+00 0.00000e+00 2.84025e+01 118.012 1.64092e+01 118.012 0.4272 
1 1 1 9  30 15 o 12 4.80406e+01 2.19709e+01 9.20133e+00 19.886  6.80159e-01  2.46029e-01  0.00000e+00 0.00000e+00 2.17116e+01 19.886  1.25102e+01 19.886  0.3399 
1 1 1 9  30 16 o 7  4.09324e+01 2.01537e+01 1.04633e+01 346.414 8.19528e-01  -1.98051e-01 0.00000e+00 0.00000e+00 1.98445e+01 346.414 9.38118e+00 346.414 0.3881 
1 1 1 9  31 0  o 17 4.64510e+01 2.97413e+01 4.65066e+01 270.000 -9.68148e-17 -1.58110e+00 0.00000e+00 0.00000e+00 3.23581e+01 270.000 1.41485e+01 90.000  0.9188 
1 1 1 9  31 1  o 15 3.51874e+01 1.72687e+01 1.89085e+01 305.994 7.10687e-01  -9.78375e-01 0.00000e+00 0.00000e+00 1.46282e+01 305.994 4.28033e+00 125.994 0.5156 
1 1 1 9  31 2  o 10 4.39168e+01 2.08223e+01 1.23311e+01 145.005 -6.56379e-01 4.59520e-01  0.00000e+00 0.00000e+00 1.78537e+01 145.005 5.52256e+00 145.005 0.3716 
1 1 1 9  31 3  o 18 5.73518e+01 2.50533e+01 2.15451e+01 222.665 -1.06074e+00 -9.77637e-01 0.00000e+00 0.00000e+00 4.02339e+01 222.665 1.86889e+01 222.665 0.5816 
1 1 1 9  31 4  o 13 5.06197e+01 2.31451e+01 3.51121e+00 85.608  1.76108e-02  2.29284e-01  0.00000e+00 0.00000e+00 7.21674e+00 85.608  3.70553e+00 85.608  0.1142 
1 1 1 9  31 5  o 5  3.47480e+01 1.73091e+01 3.72380e+01 345.085 2.23641e+00  -5.95670e-01 0.00000e+00 0.00000e+00 1.07857e+01 345.085 2.64523e+01 165.085 0.7432 
1 1 1 9  31 6  o 11 5.91273e+01 2.58788e+01 2.36908e+01 44.513  1.10262e+00  1.08404e+00  0.00000e+00 0.00000e+00 4.32756e+01 44.513  1.95848e+01 44.513  0.6074 
1 1 1 9  31 7  o 8  5.16129e+01 2.34092e+01 2.24763e+01 167.518 -1.48930e+00 3.29669e-01  0.00000e+00 0.00000e+00 3.56863e+01 167.518 1.32100e+01 167.518 0.6023 
1 1 1 9  31 8  o 18 5.64808e+01 2.45446e+01 2.33148e+00 285.033 4.44978e-02  -1.65682e-01 0.00000e+00 0.00000e+00 6.73346e+00 285.033 4.40198e+00 285.033 0.0855 
1 1 1 9  31 9  o 17 5.22455e+01 2.21961e+01 1.21981e+01 10.734  9.26948e-01  1.75716e-01  0.00000e+00 0.00000e+00 2.97782e+01 10.734  1.75800e+01 10.734  0.4260 
1 1 1 9  31 10 o 6  5.75017e+01 2.30791e+01 2.41635e+01 205.485 -1.89294e+00 -9.02282e-01 0.00000e+00 0.00000e+00 5.35410e+01 205.485 2.93775e+01 205.485 0.7131 
1 1 1 9  31 11 o 9  5.88054e+01 2.35021e+01 2.84725e+01 119.419 -1.19531e+00 2.11964e+00  0.00000e+00 0.00000e+00 5.63994e+01 119.419 2.79269e+01 119.419 0.7576 
1 1 1 9  31 12 o 4  4.83852e+01 2.12843e+01 1.98797e+01 112.519 -6.29124e-01 1.51741e+00  0.00000e+00 0.00000e+00 3.84833e+01 112.519 1.86036e+01 112.519 0.6295 
1 1 1 9  31 13 o 15 4.00941e+01 1.89277e+01 2.52980e+01 267.579 -8.83571e-02 -2.08981e+00 0.00000e+00 0.00000e+00 2.97716e+01 267.579 4.47365e+00 267.579 0.7123 
1 1 1 9  31 14 o 17 3.84688e+01 1.83936e+01 9.52509e+00 255.877 -2.00200e-01 -7.95684e-01 0.00000e+00 0.00000e+00 1.87962e+01 255.877 9.27107e+00 255.877 0.3792 
1 1 1 9  32 0  o 4  2.78932e+01 2.01311e+01 3.25631e+01 270.000 -7.07634e-17 -1.15565e+00 0.00000e+00 0.00000e+00 1.11264e+01 270.000 2.14367e+01 90.000  0.8196 
1 1 1 9  32 1  o 16 5.70044e+01 2.38494e+01 1.26118e+01 251.170 -3.12287e-01 -9.15762e-01 0.00000e+00 0.00000e+00 3.47627e+01 251.170 2.21509e+01 251.170 0.4348 
1 1 1 9  32 2  o 7  4.40139e+01 2.11343e+01 3.39396e+01 101.147 -4.60734e-01 2.33823e+00  0.00000e+00 0.00000e+00 2.93485e+01 101.147 4.59110e+00 281.147 0.7517 
1 1 1 9  32 3  o 2  6.46438e+01 2.57931e+01 2.73545e+01 89.325  2.46559e-02  2.09285e+00  0.00000e+00 0.00000e+00 6.08610e+01 89.325  3.35065e+01 89.325  0.7125 
1 1 1 9  32 4  o 6  5.67856e+01 2.50725e+01 2.02492e+01 177.523 -1.41608e+00 6.12541e-02  0.00000e+00 0.00000e+00 4.24057e+01 177.523 2.21565e+01 177.523 0.5750 
1 1 1 9  32 5  o 17 5.43861e+01 2.43999e+01 1.73523e+01 285.607 3.48834e-01  -1.24877e+00 0.00000e+00 0.00000e+00 3.93024e+01 285.607 2.19502e+01 285.607 0.5417 
1 1 1 9  32 6  o 1  5.38448e+01 2.47859e+01 2.73194e+01 281.479 3.91234e-01  -1.92667e+00 0.00000e+00 0.00000e+00 4.45473e+01 281.479 1.72280e+01 281.479 0.6921 
1 1 1 9  32 7  o 5  5.72460e+01 2.49682e+01 1.61729e+01 295.111 5.15245e-01  -1.09938e+00 0.00000e+00 0.00000e+00 4.11046e+01 295.111 2.49317e+01 295.111 0.5171 
1 1 1 9  32 8  o 5  6.21496e+01 2.60658e+01 1.19235e+01 135.396 -6.52420e-01 6.43462e-01  0.00000e+00 0.00000e+00 3.82842e+01 135.396 2.63607e+01 135.396 0.4160 
1 1 1 9  32 9  f 0  4.32248e+01 1.99197e+01 1.53851e+01 172.799 -1.22964e+00 1.55365e-01  0.00000e+00 0.00000e+00 2.88616e+01 172.799 1.34765e+01 172.799 0.5248 
1 1 1 9  32 10 o 3  3.97568e+01 1.86894e+01 1.63607e+01 15.375  1.30719e+00  3.59457e-01  0.00000e+00 0.00000e+00 2.71471e+01 15.375  1.07864e+01 15.375  0.5584 
1 1 1 9  32 11 o 18 4.43687e+01 2.02441e+01 2.52347e+01 63.681  9.53058e-01  1.92678e+00  0.00000e+00 0.00000e+00 3.77817e+01 63.681  1.25470e+01 63.681  0.7209 
1 1 1 9  33 0  o 5  4.63497e+01 3.00542e+01 6.10630e+00 90.000  1.45935e-17  2.38330e-01  0.00000e+00 0.00000e+00 1.53436e+01 90.000  9.23732e+00 90.000  0.2339 
1 1 1 9  33 1  o 5  4.35920e+01 2.04583e+01 1.23141e+01 98.369  -1.39215e-01 9.46359e-01  0.00000e+00 0.00000e+00 2.48470e+01 98.369  1.25330e+01 98.369  0.4308 
1 1 1 9  33 2  o 17 5.26805e+01 2.40410e+01 3.97314e+00 192.222 -2.84321e-01 -6.15868e-02 0.00000e+00 0.00000e+00 1.10440e+01 192.222 7.07083e+00 192.222 0.1439 
1 1 1 9  33 3  o 12 6.61394e+01 2.59728e+01 2.50721e+01 351.982 2.04331e+00  -2.87839e-01 0.00000e+00 0.00000e+00 6.77715e+01 351.982 4.26994e+01 351.982 0.7079 
1 1 1 9  33 4  f 0  3.89209e+01 1.91190e+01 1.69343e+01 301.217 6.85800e-01  -1.13165e+00 0.00000e+00 0.00000e+00 2.55340e+01 301.217 8.59972e+00 301.217 0.5493 
1 1 1 9  33 5  o 8  5.18734e+01 2.41589e+01 2.50016e+01 145.402 -1.49027e+00 1.02800e+00  0.00000e+00 0.00000e+00 4.35794e+01 145.402 1.85779e+01 145.402 0.6641 
1 1 1 9  33 6  o 15 4.77111e+01 2.26050e+01 3.23016e+01 165.655 -2.38859e+00 6.10842e-01  0.00000e+00 0.00000e+00 4.02037e+01 165.655 7.90209e+00 165.655 0.7612 
1 1 1 9  33 7  o 13 6.75205e+01 2.74641e+01 1.31155e+01 21.279  9.48528e-01  3.69420e-01  0.00000e+00 0.00000e+00 4.81105e+01 21.279  3.49950e+01 21.279  0.4527 
1 1 1 9  33 8  o 5  5.85221e+01 2.55176e+01 9.63540e+00 48.666  4.83930e-01  5.50187e-01  0.00000e+00 0.00000e+00 3.08168e+01 48.666  2.11814e+01 48.666  0.3438 
1 1 1 10 0  2  o 9  6.95121e+02 3.35751e+01 4.42257e+02 180.000 -1.49650e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.90342e+02 180.000 1.51915e+02 0.000   1.0000 
1 1 1 10 0  3  o 16 3.03200e+01 1.91477e+01 1.39627e+02 90.000  1.27301e-17  2.07899e-01  0.00000e+00 0.00000e+00 1.33069e+02 270.000 2.72696e+02 270.000 0.2050 
1 1 1 10 0  4  o 12 3.67721e+02 2.36297e+01 1.60514e+02 0.000   2.84146e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.25570e+02 0.000   6.50553e+01 0.000   0.9932 
1 1 1 10 0  5  o 8  2.50636e+02 1.51152e+01 1.64016e+02 270.000 -1.45315e-16 -2.37317e+00 0.00000e+00 0.00000e+00 9.69630e+01 270.000 6.70534e+01 90.000  0.9828 
1 1 1 10 0  6  o 8  2.10841e+01 1.42709e+01 4.89769e+01 180.000 -5.83330e-02 0.00000e+00  0.00000e+00 0.00000e+00 4.76716e+01 0.000   9.66485e+01 0.000   0.0583 
1 1 1 10 0  7  o 8  3.78210e+02 1.69420e+01 1.82843e+02 90.000  2.64351e-16  4.31717e+00  0.00000e+00 0.00000e+00 2.20164e+02 90.000  3.73212e+01 90.000  0.9996 
1 1 1 10 0  8  o 8  1.90142e+02 1.53559e+01 4.42036e+01 0.000   4.23459e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.71434e+01 0.000   7.06027e+00 180.000 0.3998 
1 1 1 10 0  9  o 18 2.08509e+02 2.35376e+01 9.36389e+01 270.000 -7.41225e-17 -1.21051e+00 0.00000e+00 0.00000e+00 9.38614e+01 270.000 2.22489e-01 270.000 0.8368 
1 1 1 10 0  10 o 5  7.83370e+02 3.72219e+01 4.64869e+02 180.000 -2.69252e+01 0.00000e+00  0.00000e+00 0.00000e+00 3.80968e+02 180.000 8.39005e+01 0.000   1.0000 
1 1 1 10 0  11 o 18 2.58683e+02 1.63074e+01 2.26614e+02 270.000 -2.61231e-16 -4.26623e+00 0.00000e+00 0.00000e+00 5.40694e+01 270.000 1.72545e+02 90.000  0.9996 
1 1 1 10 0  12 o 8  1.05984e+02 2.53931e+01 1.90918e+01 0.000   1.56186e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.16469e+00 180.000 2.02565e+01 180.000 0.1549 
1 1 1 10 0  13 o 9  6.30457e+01 2.96143e+01 1.32941e+02 90.000  3.89160e-17  6.35546e-01  0.00000e+00 0.00000e+00 9.40220e+01 270.000 2.26963e+02 270.000 0.5619 
1 1 1 10 0  14 o 2  6.39786e+01 3.06865e+01 3.07095e+01 0.000   1.52826e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.99769e+01 180.000 5.06864e+01 180.000 0.1516 
1 1 1 10 0  15 o 16 1.33629e+02 3.29094e+01 7.56579e+01 90.000  5.20021e-17  8.49259e-01  0.00000e+00 0.00000e+00 2.71880e+01 90.000  4.84699e+01 270.000 0.6907 
1 1 1 10 0  16 o 3  1.47389e+02 2.50197e+01 1.05979e+02 180.000 -1.38278e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.99446e+01 180.000 6.60348e+01 0.000   0.8816 
1 1 1 10 0  17 o 6  2.32539e+02 2.02178e+01 6.62767e+01 90.000  6.15981e-17  1.00597e+00  0.00000e+00 0.00000e+00 1.34938e+02 90.000  6.86610e+01 90.000  0.7641 
1 1 1 10 0  18 o 15 1.11698e+02 3.53414e+01 9.07980e+01 180.000 -8.42914e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.08301e+00 0.000   9.38810e+01 0.000   0.6873 
1 1 1 10 0  19 o 14 1.30567e+02 3.25124e+01 4.11609e+01 270.000 -2.60081e-17 -4.24744e-01 0.00000e+00 0.00000e+00 1.92052e+01 270.000 2.19558e+01 90.000  0.4009 
1 1 1 10 0  20 o 16 3.88871e+02 2.19145e+01 9.05263e+01 180.000 -3.40475e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.61352e+02 180.000 2.70826e+02 180.000 0.9978 
1 1 1 10 0  21 o 10 7.00583e+01 3.91038e+01 4.64721e+01 90.000  2.26641e-17  3.70132e-01  0.00000e+00 0.00000e+00 1.72804e+01 270.000 6.37525e+01 270.000 0.3541 
1 1 1 10 0  22 o 16 1.89531e+02 3.10522e+01 7.61867e+01 0.000   1.78502e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.36918e+02 0.000   6.07309e+01 0.000   0.9452 
1 1 1 10 0  23 o 9  7.33685e+01 4.13502e+01 6.49396e+01 270.000 -4.86510e-17 -7.94531e-01 0.00000e+00 0.00000e+00 6.59603e+00 90.000  7.15356e+01 90.000  0.6610 
1 1 1 10 0  24 o 9  1.22042e+02 4.71055e+01 2.85929e+01 0.000   5.69169e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.78881e+01 0.000   1.92952e+01 0.000   0.5147 
1 1 1 10 0  25 o 8  1.11450e+02 4.60981e+01 6.48706e+01 270.000 -8.40735e-17 -1.37302e+00 0.00000e+00 0.00000e+00 5.59314e+01 270.000 8.93918e+00 90.000  0.8794 
1 1 1 10 0  26 o 8  8.35924e+01 4.34519e+01 1.61583e+01 0.000   3.02711e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.45043e+01 0.000   1.65398e+00 180.000 0.2938 
1 1 1 10 0  27 o 7  1.72680e+02 6.24242e+01 1.61631e+02 90.000  3.26667e-16  5.33488e+00  0.00000e+00 0.00000e+00 5.68568e+01 90.000  1.04774e+02 270.000 1.0000 
1 1 1 10 0  28 o 6  6.66640e+01 3.80160e+01 1.36520e+01 180.000 -2.93541e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.07577e+01 180.000 2.89427e+00 0.000   0.2854 
1 1 1 10 0  29 o 3  9.44917e+01 4.47657e+01 8.56024e+01 270.000 -1.71114e-16 -2.79451e+00 0.00000e+00 0.00000e+00 3.64704e+01 270.000 4.91319e+01 90.000  0.9926 
1 1 1 10 0  30 o 16 9.02307e+01 4.71546e+01 9.01098e+00 180.000 -2.97072e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.53948e+01 180.000 1.63838e+01 180.000 0.2886 
1 1 1 10 0  31 o 8  4.40374e+01 3.04702e+01 2.84869e+00 90.000  4.49775e-18  7.34538e-02  0.00000e+00 0.00000e+00 1.48313e+00 90.000  1.36556e+00 270.000 0.0733 
1 1 1 10 0  32 o 18 5.92582e+01 3.77835e+01 5.63823e+00 0.000   1.98751e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.02072e+01 0.000   4.56900e+00 0.000   0.1962 
1 1 1 10 0  33 o 13 4.08141e+01 2.88101e+01 8.64172e+00 270.000 -1.73375e-17 -2.83143e-01 0.00000e+00 0.00000e+00 6.95583e+00 270.000 1.68589e+00 90.000  0.2758 
1 1 1 10 0  34 o 17 4.14684e+01 2.89771e+01 2.90232e+01 180.000 -1.16969e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.91390e+01 180.000 9.88422e+00 0.000   0.8242 
1 1 1 10 0  35 o 3  5.86180e+01 3.82057e+01 1.09175e+01 90.000  2.86546e-17  4.67965e-01  0.00000e+00 0.00000e+00 2.57766e+01 90.000  1.48590e+01 90.000  0.4366 
1 1 1 10 1  2  o 11 4.64719e+02 1.83158e+01 2.70328e+02 229.475 -8.02303e+00 -9.38562e+00 0.00000e+00 0.00000e+00 1.99425e+02 229.475 7.09032e+01 49.475  0.9586 
1 1 1 10 1  3  o 1  9.24356e+01 1.63620e+01 2.17946e+01 329.641 1.69609e-01  -9.93473e-02 0.00000e+00 0.00000e+00 1.22489e+01 149.641 3.40436e+01 149.641 0.0978 
1 1 1 10 1  4  o 10 1.02706e+02 1.60760e+01 3.32624e+01 73.246  9.47070e-02  3.14597e-01  0.00000e+00 0.00000e+00 1.56542e+01 253.246 4.89166e+01 253.246 0.1621 
1 1 1 10 1  5  o 4  2.34712e+02 1.04582e+01 1.67377e+02 3.961   4.51667e+00  3.12784e-01  0.00000e+00 0.00000e+00 5.18596e+01 3.961   1.15518e+02 183.961 0.8811 
1 1 1 10 1  6  o 11 4.72291e+01 1.54321e+01 2.70731e+01 147.379 -1.20435e-01 7.70849e-02  0.00000e+00 0.00000e+00 2.34927e+01 327.379 5.05658e+01 327.379 0.0713 
1 1 1 10 1  7  o 11 5.56710e+02 1.65922e+01 3.34046e+02 246.626 -9.11401e+00 -2.10871e+01 0.00000e+00 0.00000e+00 2.46622e+02 246.626 8.74237e+01 66.626  0.9780 
1 1 1 10 1  8  o 4  1.17100e+02 1.19473e+01 8.26518e+01 31.893  8.25343e-01  5.13595e-01  0.00000e+00 0.00000e+00 2.79422e+01 211.893 1.10594e+02 211.893 0.4364 
1 1 1 10 1  9  o 4  1.02327e+03 2.61564e+01 5.70084e+02 86.392  4.42429e+00  7.01619e+01  0.00000e+00 0.00000e+00 5.22239e+02 86.392  4.78449e+01 266.392 0.9929 
1 1 1 10 1  10 o 2  2.00911e+02 1.67214e+01 1.84841e+02 258.849 -1.09645e+00 -5.56222e+00 0.00000e+00 0.00000e+00 1.19978e+01 258.849 1.72843e+02 78.849  0.9069 
1 1 1 10 1  11 o 4  3.07225e+02 1.36465e+01 5.13710e+01 282.454 4.92540e-01  -2.23016e+00 0.00000e+00 0.00000e+00 1.95306e+02 282.454 1.43935e+02 282.454 0.7393 
1 1 1 10 1  12 f 0  1.99730e+02 1.21214e+01 1.44909e+02 116.117 -1.99340e+00 4.06603e+00  0.00000e+00 0.00000e+00 4.73411e+01 116.117 9.75682e+01 296.117 0.8812 
1 1 1 10 1  13 o 8  6.76650e+02 1.66688e+01 3.31751e+02 305.301 1.99121e+01  -2.81221e+01 0.00000e+00 0.00000e+00 4.01202e+02 305.301 6.94515e+01 305.301 0.9854 
1 1 1 10 1  14 o 5  1.87417e+02 1.41785e+01 3.14316e+01 24.539  1.01715e+00  4.64371e-01  0.00000e+00 0.00000e+00 6.95224e+01 24.539  3.80908e+01 24.539  0.4867 
1 1 1 10 1  15 o 1  5.22699e+02 2.02930e+01 1.29051e+02 111.875 -4.26906e+00 1.06332e+01  0.00000e+00 0.00000e+00 4.27671e+02 111.875 2.98620e+02 111.875 0.9553 
1 1 1 10 1  16 o 14 1.65300e+02 1.50958e+01 1.47425e+02 292.528 1.66531e+00  -4.01491e+00 0.00000e+00 0.00000e+00 1.52177e+01 292.528 1.32208e+02 112.528 0.8756 
1 1 1 10 1  17 o 15 3.18553e+02 1.37832e+01 1.96410e+02 81.295  1.23619e+00  8.07391e+00  0.00000e+00 0.00000e+00 1.41651e+02 81.295  5.47594e+01 261.295 0.9366 
1 1 1 10 1  18 o 17 1.46873e+02 1.87805e+01 1.05176e+02 105.430 -7.00611e-01 2.53838e+00  0.00000e+00 0.00000e+00 2.55684e+01 105.430 7.96081e+01 285.430 0.7788 
1 1 1 10 1  19 o 14 3.32277e+02 1.48004e+01 1.52696e+02 273.168 4.55674e-01  -8.23282e+00 0.00000e+00 0.00000e+00 2.06628e+02 273.168 5.39326e+01 273.168 0.9372 
1 1 1 10 1  21 o 18 2.51913e+02 5.04650e+01 1.23960e+02 13.149  5.57923e+00  1.30340e+00  0.00000e+00 0.00000e+00 1.45320e+02 13.149  2.13596e+01 13.149  0.9079 
1 1 1 10 1  23 o 14 1.94142e+02 2.08448e+01 1.26380e+02 126.377 -5.29738e+00 7.19119e+00  0.00000e+00 0.00000e+00 9.38190e+01 126.377 3.25605e+01 306.377 0.9422 
1 1 1 10 1  24 o 2  8.80849e+01 3.12847e+01 9.59601e+01 86.706  1.62571e-01  2.82470e+00  0.00000e+00 0.00000e+00 1.04953e+01 266.706 1.06455e+02 266.706 0.7965 
1 1 1 10 1  25 o 5  1.51664e+02 2.47053e+01 9.14274e+01 277.502 7.85302e-01  -5.96304e+00 0.00000e+00 0.00000e+00 7.92604e+01 277.502 1.21670e+01 97.502  0.9126 
1 1 1 10 1  26 o 19 1.35933e+02 2.71064e+01 8.74922e+01 315.105 4.00949e+00  -3.99478e+00 0.00000e+00 0.00000e+00 6.64776e+01 315.105 2.10146e+01 135.105 0.9067 
1 1 1 10 1  27 o 9  1.30997e+02 3.17731e+01 7.09126e+01 59.380  2.33919e+00  3.95220e+00  0.00000e+00 0.00000e+00 7.55262e+01 59.380  4.61363e+00 59.380  0.8830 
1 1 1 10 1  28 o 2  7.40935e+01 3.03586e+01 4.41259e+01 95.074  -1.72277e-01 1.94016e+00  0.00000e+00 0.00000e+00 2.14084e+01 95.074  2.27175e+01 275.074 0.6890 
1 1 1 10 1  29 o 15 1.33311e+02 2.75458e+01 8.50081e+01 262.465 -1.15248e+00 -8.71281e+00 0.00000e+00 0.00000e+00 7.84030e+01 262.465 6.60517e+00 82.465  0.9413 
1 1 1 10 1  30 o 8  9.58179e+01 3.19155e+01 5.57086e+01 225.419 -2.86575e+00 -2.90800e+00 0.00000e+00 0.00000e+00 5.40521e+01 225.419 1.65646e+00 45.419  0.8666 
1 1 1 10 1  31 o 12 6.95792e+01 2.94152e+01 4.40879e+01 103.818 -6.52209e-01 2.65173e+00  0.00000e+00 0.00000e+00 2.95010e+01 103.818 1.45869e+01 283.818 0.7879 
1 1 1 10 1  32 o 10 4.54412e+01 2.21578e+01 1.99889e+01 3.142   1.31654e+00  7.22650e-02  0.00000e+00 0.00000e+00 1.39697e+01 3.142   6.01916e+00 183.142 0.5480 
1 1 1 10 1  33 o 19 5.96059e+01 2.70863e+01 3.51901e+01 63.612  1.10467e+00  2.22654e+00  0.00000e+00 0.00000e+00 2.78929e+01 63.612  7.29724e+00 243.612 0.7634 
1 1 1 10 1  34 o 6  5.67094e+01 2.62498e+01 1.73774e+01 156.044 -1.27843e+00 5.68020e-01  0.00000e+00 0.00000e+00 2.82093e+01 156.044 1.08319e+01 156.044 0.5701 
1 1 1 10 1  35 o 1  5.33706e+01 2.53087e+01 2.46142e+01 245.310 -8.85079e-01 -1.92514e+00 0.00000e+00 0.00000e+00 3.02377e+01 245.310 5.62346e+00 245.310 0.7164 
1 1 1 10 2  1  o 11 3.83801e+02 2.39733e+01 1.93754e+02 317.799 5.34652e+00  -4.84802e+00 0.00000e+00 0.00000e+00 1.82085e+02 317.799 1.16692e+01 137.799 0.9279 
1 1 1 10 2  2  o 15 1.66028e+02 2.08037e+01 8.09386e+01 69.579  4.55444e-01  1.22327e+00  0.00000e+00 0.00000e+00 1.44869e+01 69.579  6.64517e+01 249.579 0.5442 
1 1 1 10 2  3  o 17 2.64337e+02 1.50021e+01 1.43380e+02 159.932 -3.45783e+00 1.26320e+00  0.00000e+00 0.00000e+00 9.42374e+01 159.932 4.91429e+01 339.932 0.8500 
1 1 1 10 2  4  o 18 7.69117e+02 2.54552e+01 2.31247e+02 141.092 -1.29676e+01 1.04665e+01  0.00000e+00 0.00000e+00 5.58692e+02 141.092 3.27445e+02 141.092 0.9695 
1 1 1 10 2  5  o 16 1.75110e+02 1.21371e+01 8.88032e+01 86.225  1.16964e-01  1.77274e+00  0.00000e+00 0.00000e+00 3.34361e+01 86.225  5.53671e+01 266.225 0.6575 
1 1 1 10 2  6  f 0  4.28407e+02 1.44386e+01 1.23656e+02 295.528 2.88768e+00  -6.04646e+00 0.00000e+00 0.00000e+00 2.96914e+02 295.528 1.73258e+02 295.528 0.9220 
1 1 1 10 2  7  f 0  8.12298e+02 1.87042e+01 4.18304e+02 284.381 1.03135e+01  -4.02241e+01 0.00000e+00 0.00000e+00 4.38895e+02 284.381 2.05912e+01 284.381 0.9879 
1 1 1 10 2  8  o 18 1.18639e+02 1.19173e+01 4.80738e+01 109.890 -1.93797e-01 5.35663e-01  0.00000e+00 0.00000e+00 1.32354e+01 289.889 6.13092e+01 289.889 0.2739 
1 1 1 10 2  9  o 16 3.78038e+02 1.39430e+01 1.73398e+02 120.231 -4.08581e+00 7.01145e+00  0.00000e+00 0.00000e+00 2.07725e+02 120.231 3.43270e+01 120.231 0.9362 
1 1 1 10 2  10 o 19 2.08530e+02 1.64879e+01 5.57681e+01 287.077 5.19048e-01  -1.68964e+00 0.00000e+00 0.00000e+00 9.21755e+01 287.077 3.64074e+01 287.077 0.6557 
1 1 1 10 2  11 o 18 4.08413e+02 1.47665e+01 1.44050e+02 172.252 -8.37509e+00 1.13951e+00  0.00000e+00 0.00000e+00 2.73044e+02 172.252 1.28994e+02 172.252 0.9388 
1 1 1 10 2  12 o 14 5.04817e+02 1.40213e+01 3.20566e+02 195.428 -2.41959e+01 -6.67737e+00 0.00000e+00 0.00000e+00 2.20647e+02 195.428 9.99187e+01 15.428  0.9799 
1 1 1 10 2  13 o 2  5.21060e+02 1.43958e+01 2.16692e+02 325.024 1.42273e+01  -9.95319e+00 0.00000e+00 0.00000e+00 3.40241e+02 325.024 1.23550e+02 325.024 0.9708 
1 1 1 10 2  14 o 16 3.68567e+02 1.46466e+01 1.31447e+02 70.533  3.04850e+00  8.62437e+00  0.00000e+00 0.00000e+00 2.54106e+02 70.533  1.22658e+02 70.533  0.9436 
1 1 1 10 2  15 o 5  2.14777e+02 1.49226e+01 1.41172e+02 88.034  1.79261e-01  5.22234e+00  0.00000e+00 0.00000e+00 7.42915e+01 88.034  6.68800e+01 268.034 0.8984 
1 1 1 10 2  16 o 1  9.74485e+01 2.18880e+01 1.04210e+02 213.725 -1.46465e+00 -9.77708e-01 0.00000e+00 0.00000e+00 3.24446e+01 33.725  1.36655e+02 33.725  0.6544 
1 1 1 10 2  17 o 6  6.17866e+01 2.26199e+01 4.30567e+01 151.095 -2.96060e-01 1.63467e-01  0.00000e+00 0.00000e+00 3.13662e+01 331.095 7.44230e+01 331.095 0.1667 
1 1 1 10 2  18 o 5  2.37563e+02 2.66662e+01 4.57745e+01 210.422 -1.54027e+00 -9.04460e-01 0.00000e+00 0.00000e+00 1.33563e+02 210.422 8.77886e+01 210.422 0.6593 
1 1 1 10 2  19 o 8  2.10441e+02 1.62221e+01 7.29216e+01 239.858 -1.24387e+00 -2.14219e+00 0.00000e+00 0.00000e+00 1.12513e+02 239.858 3.95916e+01 239.858 0.7625 
1 1 1 10 2  20 o 4  2.20167e+02 1.67942e+01 5.36908e+01 351.858 2.24579e+00  -3.21322e-01 0.00000e+00 0.00000e+00 1.35764e+02 351.858 8.20730e+01 351.858 0.7373 
1 1 1 10 2  21 o 13 1.35095e+02 2.38427e+01 6.65227e+01 189.835 -2.06170e+00 -3.57407e-01 0.00000e+00 0.00000e+00 4.69643e+01 189.835 1.95584e+01 9.835   0.7124 
1 1 1 10 2  22 o 16 1.29188e+02 2.63437e+01 2.52999e+01 357.441 7.80875e-01  -3.48942e-02 0.00000e+00 0.00000e+00 3.07146e+01 357.441 5.41470e+00 357.441 0.3637 
1 1 1 10 2  23 o 2  1.88558e+02 2.14988e+01 7.84534e+01 36.866  4.27486e+00  3.20568e+00  0.00000e+00 0.00000e+00 1.26329e+02 36.866  4.78752e+01 36.866  0.9008 
1 1 1 10 2  24 o 12 1.55336e+02 2.56778e+01 5.92512e+01 310.117 2.12002e+00  -2.51612e+00 0.00000e+00 0.00000e+00 9.79236e+01 310.117 3.86724e+01 310.117 0.8293 
1 1 1 10 2  25 f 0  1.51081e+02 2.47853e+01 4.11001e+01 116.976 -1.21872e+00 2.39435e+00  0.00000e+00 0.00000e+00 1.05183e+02 116.976 6.40827e+01 116.976 0.7839 
1 1 1 10 2  26 o 18 7.78081e+01 2.96815e+01 7.10869e+01 135.913 -1.80953e+00 1.75279e+00  0.00000e+00 0.00000e+00 3.59080e+00 135.913 6.74961e+01 315.913 0.7671 
1 1 1 10 2  27 o 15 9.92799e+01 3.20147e+01 5.84919e+01 274.305 2.14198e-01  -2.84557e+00 0.00000e+00 0.00000e+00 4.20385e+01 274.305 1.64535e+01 94.305  0.7986 
1 1 1 10 2  28 f 0  1.43622e+02 3.22475e+01 3.28061e+01 249.097 -9.57032e-01 -2.50585e+00 0.00000e+00 0.00000e+00 1.11869e+02 249.097 7.90627e+01 249.097 0.7835 
1 1 1 10 2  29 o 15 6.11461e+01 2.60654e+01 1.57543e+01 58.879  4.01818e-01  6.65539e-01  0.00000e+00 0.00000e+00 1.31198e+01 58.879  2.63450e+00 238.879 0.3620 
1 1 1 10 2  30 o 11 7.44954e+01 3.02702e+01 2.92999e+01 100.024 -3.06098e-01 1.73172e+00  0.00000e+00 0.00000e+00 3.51881e+01 100.024 5.88821e+00 100.024 0.6539 
1 1 1 10 2  31 o 1  6.54287e+01 2.85029e+01 2.15169e+01 101.933 -2.67300e-01 1.26477e+00  0.00000e+00 0.00000e+00 2.60335e+01 101.933 4.51652e+00 101.933 0.5406 
1 1 1 10 2  32 o 1  6.55802e+01 2.85571e+01 2.63878e+01 237.204 -1.02864e+00 -1.59639e+00 0.00000e+00 0.00000e+00 3.45706e+01 237.204 8.18276e+00 237.204 0.6805 
1 1 1 10 2  33 o 18 5.88939e+01 2.68291e+01 1.08750e+01 142.395 -6.07524e-01 4.67938e-01  0.00000e+00 0.00000e+00 1.83804e+01 142.395 7.50547e+00 142.395 0.3577 
1 1 1 10 2  34 o 16 7.09137e+01 3.01902e+01 3.81111e+01 2.795   3.13048e+00  1.52844e-01  0.00000e+00 0.00000e+00 4.39510e+01 2.795   5.83992e+00 2.795   0.8194 
1 1 1 10 2  35 o 4  4.94573e+01 2.38575e+01 2.25354e+01 264.660 -1.82142e-01 -1.94862e+00 0.00000e+00 0.00000e+00 2.65456e+01 264.660 4.01017e+00 264.660 0.6906 
1 1 1 10 3  1  o 1  2.78864e+02 2.17812e+01 1.21102e+02 264.338 -3.21403e-01 -3.24200e+00 0.00000e+00 0.00000e+00 1.23049e+02 264.338 1.94687e+00 264.338 0.8274 
1 1 1 10 3  2  o 17 4.30351e+02 2.51490e+01 2.47459e+02 79.741  1.80367e+00  9.96537e+00  0.00000e+00 0.00000e+00 1.85154e+02 79.741  6.23047e+01 259.741 0.9493 
1 1 1 10 3  3  o 6  5.26873e+02 1.96156e+01 2.27527e+02 60.469  5.63063e+00  9.93945e+00  0.00000e+00 0.00000e+00 3.06085e+02 60.469  7.85573e+01 60.469  0.9552 
1 1 1 10 3  4  o 1  3.33746e+02 1.30435e+01 2.49542e+02 287.564 2.88990e+00  -9.13011e+00 0.00000e+00 0.00000e+00 8.59080e+01 287.564 1.63634e+02 107.564 0.9463 
1 1 1 10 3  5  o 10 2.25429e+02 1.20636e+01 1.13112e+02 302.223 1.53730e+00  -2.43906e+00 0.00000e+00 0.00000e+00 7.91125e+01 302.223 3.39994e+01 122.223 0.8010 
1 1 1 10 3  6  o 17 4.23462e+02 1.24335e+01 2.32320e+02 174.642 -1.23095e+01 1.15441e+00  0.00000e+00 0.00000e+00 2.01066e+02 174.642 3.12535e+01 354.642 0.9587 
1 1 1 10 3  7  o 15 1.63053e+02 1.22766e+01 5.64877e+01 45.527  7.91239e-01  8.05936e-01  0.00000e+00 0.00000e+00 2.91512e+01 45.527  2.73364e+01 225.527 0.4904 
1 1 1 10 3  8  f 0  2.25165e+02 1.25433e+01 1.47262e+01 191.044 -3.21776e-01 -6.28016e-02 0.00000e+00 0.00000e+00 2.44328e+01 191.044 9.70660e+00 191.044 0.1618 
1 1 1 10 3  9  o 15 6.94649e+01 1.80648e+01 8.82974e+01 264.030 -7.76027e-02 -7.42107e-01 0.00000e+00 0.00000e+00 6.20974e+01 84.030  1.50395e+02 84.030  0.3493 
1 1 1 10 3  10 f 0  2.25565e+02 1.30827e+01 8.48384e+01 12.382  2.84098e+00  6.23716e-01  0.00000e+00 0.00000e+00 1.11674e+02 12.382  2.68352e+01 12.382  0.8030 
1 1 1 10 3  11 o 4  1.25299e+02 1.63137e+01 1.84260e+02 107.173 -9.68130e-01 3.13273e+00  0.00000e+00 0.00000e+00 7.10126e+01 287.173 2.55273e+02 287.173 0.8287 
1 1 1 10 3  12 f 0  2.77141e+02 1.18775e+01 1.16968e+02 277.173 6.26181e-01  -4.97555e+00 0.00000e+00 0.00000e+00 1.54755e+02 277.173 3.77872e+01 277.173 0.8937 
1 1 1 10 3  13 o 17 4.77324e+02 1.62296e+01 2.54503e+02 72.943  5.78481e+00  1.88539e+01  0.00000e+00 0.00000e+00 2.58913e+02 72.943  4.41022e+00 72.943  0.9743 
1 1 1 10 3  14 o 6  1.62329e+02 1.52225e+01 8.13832e+01 349.484 2.43251e+00  -4.51523e-01 0.00000e+00 0.00000e+00 5.61317e+01 349.484 2.52515e+01 169.484 0.7621 
1 1 1 10 3  15 o 8  2.53193e+02 1.29713e+01 1.12958e+02 332.168 4.35574e+00  -2.29961e+00 0.00000e+00 0.00000e+00 1.39813e+02 332.168 2.68554e+01 332.168 0.8916 
1 1 1 10 3  16 o 19 3.14883e+02 1.48840e+01 1.83667e+02 121.460 -5.33951e+00 8.72698e+00  0.00000e+00 0.00000e+00 1.53828e+02 121.460 2.98395e+01 301.460 0.9498 
1 1 1 10 3  17 o 18 1.38609e+02 1.72534e+01 6.28438e+01 110.655 -4.36746e-01 1.15854e+00  0.00000e+00 0.00000e+00 1.98709e+01 110.655 4.29729e+01 290.655 0.5244 
1 1 1 10 3  18 o 13 5.50804e+02 1.79571e+01 1.80260e+02 311.075 1.02178e+01  -1.17233e+01 0.00000e+00 0.00000e+00 4.31373e+02 311.075 2.51113e+02 311.075 0.9673 
1 1 1 10 3  19 o 4  4.56834e+02 1.52683e+01 2.01982e+02 340.048 1.39799e+01  -5.07503e+00 0.00000e+00 0.00000e+00 3.09253e+02 340.048 1.07271e+02 340.048 0.9658 
1 1 1 10 3  20 o 14 1.00285e+02 2.61932e+01 5.13142e+01 203.248 -8.64811e-01 -3.71524e-01 0.00000e+00 0.00000e+00 1.41786e+00 23.248  5.27321e+01 23.248  0.4252 
1 1 1 10 3  21 o 3  2.48727e+02 4.98264e+01 2.10207e+02 161.432 -1.02076e+01 3.42896e+00  0.00000e+00 0.00000e+00 6.98698e+01 161.432 1.40337e+02 341.432 0.9524 
1 1 1 10 3  22 o 6  2.80627e+02 5.18583e+01 1.58581e+02 114.088 -3.72059e+00 8.32214e+00  0.00000e+00 0.00000e+00 1.57868e+02 114.088 7.13072e-01 294.088 0.9434 
1 1 1 10 3  23 o 19 7.39183e+01 2.93822e+01 6.27113e+01 320.085 1.17770e+00  -9.85226e-01 0.00000e+00 0.00000e+00 8.66884e+00 140.085 7.13801e+01 140.085 0.6048 
1 1 1 10 3  24 o 14 2.11319e+02 2.69045e+01 1.15555e+02 303.717 4.76586e+00  -7.14162e+00 0.00000e+00 0.00000e+00 1.27396e+02 303.717 1.18407e+01 303.717 0.9398 
1 1 1 10 3  25 o 15 1.65415e+02 2.35735e+01 8.89500e+01 359.111 6.45148e+00  -1.00144e-01 0.00000e+00 0.00000e+00 9.92952e+01 359.111 1.03452e+01 359.111 0.9189 
1 1 1 10 3  26 o 6  6.56612e+01 2.86855e+01 5.06408e+01 63.791  6.19705e-01  1.25890e+00  0.00000e+00 0.00000e+00 3.58281e+00 243.791 5.42236e+01 243.791 0.5713 
1 1 1 10 3  27 o 8  7.34253e+01 2.74836e+01 4.79644e+01 129.268 -1.19345e+00 1.45977e+00  0.00000e+00 0.00000e+00 1.53350e+01 129.268 3.26294e+01 309.268 0.6781 
1 1 1 10 3  28 o 18 9.86696e+01 3.42109e+01 6.68997e+01 250.402 -1.20064e+00 -3.37219e+00 0.00000e+00 0.00000e+00 4.06063e+01 250.402 2.62934e+01 70.402  0.8452 
1 1 1 10 3  29 o 17 9.80478e+01 3.14997e+01 4.35416e+01 140.010 -2.26218e+00 1.89752e+00  0.00000e+00 0.00000e+00 5.98668e+01 140.010 1.63252e+01 140.010 0.8064 
1 1 1 10 3  30 o 3  7.54363e+01 2.92877e+01 3.68914e+01 72.307  7.02082e-01  2.20090e+00  0.00000e+00 0.00000e+00 3.74781e+01 72.307  5.86670e-01 72.307  0.7427 
1 1 1 10 3  31 o 3  7.21649e+01 3.01710e+01 2.01103e+01 343.241 1.20110e+00  -3.61692e-01 0.00000e+00 0.00000e+00 3.13803e+01 343.241 1.12700e+01 343.241 0.5293 
1 1 1 10 3  32 o 6  6.34727e+01 2.77001e+01 9.63604e+00 212.035 -5.89225e-01 -3.68691e-01 0.00000e+00 0.00000e+00 1.88873e+01 212.035 9.25124e+00 212.035 0.3281 
1 1 1 10 3  33 o 19 8.21039e+01 3.15474e+01 2.02482e+01 270.480 1.44404e-02  -1.72279e+00 0.00000e+00 0.00000e+00 5.36635e+01 270.480 3.34152e+01 270.480 0.6466 
1 1 1 10 3  34 o 18 5.47920e+01 2.56736e+01 1.43645e+01 166.863 -1.11819e+00 2.60969e-01  0.00000e+00 0.00000e+00 2.41524e+01 166.863 9.78788e+00 166.863 0.4965 
1 1 1 10 3  35 o 17 5.21946e+01 2.49113e+01 8.38510e+00 145.196 -5.92541e-01 4.11889e-01  0.00000e+00 0.00000e+00 1.71239e+01 145.196 8.73884e+00 145.196 0.3392 
1 1 1 10 4  0  o 12 3.45838e+01 2.10293e+01 1.63910e+02 0.000   2.73332e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.54115e+02 180.000 3.18026e+02 180.000 0.2667 
1 1 1 10 4  1  o 10 5.10952e+02 2.75810e+01 2.33725e+02 208.528 -9.82614e+00 -5.34135e+00 0.00000e+00 0.00000e+00 2.84116e+02 208.528 5.03919e+01 208.528 0.9542 
1 1 1 10 4  2  o 18 3.57756e+02 2.32824e+01 1.79211e+02 163.032 -6.96113e+00 2.12398e+00  0.00000e+00 0.00000e+00 1.73878e+02 163.032 5.33291e+00 343.032 0.9285 
1 1 1 10 4  3  o 1  1.83378e+02 1.45598e+01 1.76104e+02 26.678  3.30784e+00  1.66205e+00  0.00000e+00 0.00000e+00 1.00185e+01 206.678 1.86123e+02 206.678 0.8510 
1 1 1 10 4  4  o 11 3.81957e+02 1.37148e+01 2.53950e+02 284.604 2.76800e+00  -1.06235e+01 0.00000e+00 0.00000e+00 1.34263e+02 284.604 1.19687e+02 104.604 0.9533 
1 1 1 10 4  5  o 6  4.21416e+02 1.42933e+01 1.85872e+02 263.980 -1.03648e+00 -9.82914e+00 0.00000e+00 0.00000e+00 2.41021e+02 263.980 5.51486e+01 263.980 0.9480 
1 1 1 10 4  6  o 13 3.44140e+02 1.33028e+01 1.61825e+02 129.133 -4.34991e+00 5.34630e+00  0.00000e+00 0.00000e+00 1.79029e+02 129.133 1.72040e+01 129.133 0.9243 
1 1 1 10 4  7  o 19 2.93559e+02 1.10762e+01 4.87574e+01 53.347  8.58600e-01  1.15386e+00  0.00000e+00 0.00000e+00 1.34446e+02 53.347  8.56883e+01 53.347  0.5805 
1 1 1 10 4  8  o 4  2.08040e+02 1.24226e+01 1.13493e+02 311.466 1.95716e+00  -2.21478e+00 0.00000e+00 0.00000e+00 6.76050e+01 311.466 4.58878e+01 131.467 0.8067 
1 1 1 10 4  9  o 10 3.87277e+02 1.40940e+01 2.95064e+02 183.438 -1.76429e+01 -1.05991e+00 0.00000e+00 0.00000e+00 1.12609e+02 183.438 1.82455e+02 3.438   0.9713 
1 1 1 10 4  10 o 15 5.32514e+02 1.63336e+01 3.28884e+02 172.688 -2.59010e+01 3.32344e+00  0.00000e+00 0.00000e+00 2.39804e+02 172.688 8.90800e+01 352.688 0.9807 
1 1 1 10 4  11 o 1  4.25575e+02 1.50891e+01 2.69111e+02 10.473  1.77127e+01  3.27436e+00  0.00000e+00 0.00000e+00 1.83674e+02 10.473  8.54365e+01 190.473 0.9718 
1 1 1 10 4  12 o 17 3.74510e+02 1.47003e+01 2.74396e+02 3.004   1.60664e+01  8.43092e-01  0.00000e+00 0.00000e+00 1.24963e+02 3.004   1.49432e+02 183.004 0.9684 
1 1 1 10 4  13 o 5  2.23333e+02 1.39437e+01 1.00977e+02 214.178 -3.01901e+00 -2.04999e+00 0.00000e+00 0.00000e+00 1.09015e+02 214.178 8.03782e+00 214.178 0.8485 
1 1 1 10 4  14 o 6  3.23796e+02 1.42406e+01 1.84352e+02 266.686 -6.42549e-01 -1.10961e+01 0.00000e+00 0.00000e+00 1.60244e+02 266.686 2.41070e+01 86.686  0.9539 
1 1 1 10 4  15 o 11 4.63187e+02 1.40133e+01 1.34161e+02 304.511 5.95213e+00  -8.65697e+00 0.00000e+00 0.00000e+00 3.60967e+02 304.511 2.26806e+02 304.511 0.9511 
1 1 1 10 4  16 o 13 2.12614e+02 1.98183e+01 1.40437e+02 76.092  1.23889e+00  5.00328e+00  0.00000e+00 0.00000e+00 7.55446e+01 76.092  6.48927e+01 256.092 0.8968 
1 1 1 10 4  17 o 16 2.86484e+02 1.53995e+01 6.46064e+01 135.980 -1.88781e+00 1.82431e+00  0.00000e+00 0.00000e+00 1.89948e+02 135.980 1.25342e+02 135.980 0.7780 
1 1 1 10 4  18 f 0  1.87618e+02 1.61010e+01 6.32729e+01 324.744 1.51715e+00  -1.07247e+00 0.00000e+00 0.00000e+00 8.22232e+01 324.744 1.89503e+01 324.744 0.6730 
1 1 1 10 4  19 o 5  2.14904e+02 1.59323e+01 8.39706e+01 96.090  -3.11732e-01 2.92195e+00  0.00000e+00 0.00000e+00 1.17323e+02 96.090  3.33527e+01 96.090  0.8053 
1 1 1 10 4  21 o 11 2.45724e+02 1.74892e+01 1.22937e+02 337.512 7.78345e+00  -3.22206e+00 0.00000e+00 0.00000e+00 1.50785e+02 337.512 2.78478e+01 337.512 0.9386 
1 1 1 10 4  22 o 3  2.44926e+02 5.30494e+01 9.27927e+01 301.250 2.36881e+00  -3.90363e+00 0.00000e+00 0.00000e+00 1.66447e+02 301.250 7.36547e+01 301.250 0.8822 
1 1 1 10 4  23 o 8  1.58919e+02 2.41228e+01 2.08462e+01 153.465 -1.03626e+00 5.17439e-01  0.00000e+00 0.00000e+00 7.55055e+01 153.465 5.46593e+01 153.465 0.4997 
1 1 1 10 4  24 o 18 1.11727e+02 3.03325e+01 1.80541e+01 176.703 -6.61646e-01 3.81194e-02  0.00000e+00 0.00000e+00 2.50797e+01 176.703 7.02562e+00 176.703 0.3144 
1 1 1 10 4  25 o 7  1.44742e+02 2.59058e+01 6.88349e+01 193.715 -4.10210e+00 -1.00111e+00 0.00000e+00 0.00000e+00 8.79896e+01 193.715 1.91548e+01 193.715 0.8716 
1 1 1 10 4  26 o 6  9.32739e+01 3.27270e+01 4.18203e+01 285.967 4.23609e-01  -1.48047e+00 0.00000e+00 0.00000e+00 2.93378e+01 285.967 1.24825e+01 105.967 0.6058 
1 1 1 10 4  27 f 0  5.01198e+01 2.28872e+01 1.92618e+01 292.339 2.31400e-01  -5.63124e-01 0.00000e+00 0.00000e+00 6.41117e-01 112.339 1.99029e+01 112.339 0.2911 
1 1 1 10 4  28 o 11 1.14274e+02 2.85056e+01 6.71444e+01 50.800  3.32537e+00  4.07727e+00  0.00000e+00 0.00000e+00 6.58074e+01 50.800  1.33698e+00 230.800 0.8991 
1 1 1 10 4  29 o 9  1.12235e+02 3.62847e+01 3.32272e+01 109.689 -7.55712e-01 2.11184e+00  0.00000e+00 0.00000e+00 7.49020e+01 109.689 4.16748e+01 109.689 0.7339 
1 1 1 10 4  30 o 4  5.72011e+01 2.55186e+01 2.25359e+01 212.446 -1.01658e+00 -6.46277e-01 0.00000e+00 0.00000e+00 1.66550e+01 212.446 5.88083e+00 32.446  0.5142 
1 1 1 10 4  31 o 18 6.35127e+01 2.72133e+01 2.02899e+01 306.899 7.66806e-01  -1.02131e+00 0.00000e+00 0.00000e+00 2.57744e+01 306.899 5.48444e+00 306.899 0.5360 
1 1 1 10 4  32 o 4  6.66815e+01 2.89612e+01 4.42756e+00 151.690 -2.74551e-01 1.47895e-01  0.00000e+00 0.00000e+00 9.69508e+00 151.690 5.26752e+00 151.690 0.1541 
1 1 1 10 4  33 o 8  5.60851e+01 2.60750e+01 9.82822e+00 356.662 7.36270e-01  -4.29415e-02 0.00000e+00 0.00000e+00 1.72717e+01 356.662 7.44346e+00 356.662 0.3458 
1 1 1 10 4  34 o 13 6.12644e+01 2.78262e+01 1.54669e+01 273.294 7.22315e-02  -1.25490e+00 0.00000e+00 0.00000e+00 3.06885e+01 273.294 1.52216e+01 273.294 0.5301 
1 1 1 10 4  35 o 2  5.41286e+01 2.56377e+01 1.30073e+01 129.925 -7.11876e-01 8.50649e-01  0.00000e+00 0.00000e+00 2.48617e+01 129.925 1.18543e+01 129.925 0.4838 
1 1 1 10 5  0  o 8  2.63709e+01 1.74782e+01 2.86644e+01 180.000 -4.34543e-02 0.00000e+00  0.00000e+00 0.00000e+00 2.74424e+01 0.000   5.61068e+01 0.000   0.0434 
1 1 1 10 5  1  o 4  1.95423e+02 2.11715e+01 6.06264e+01 47.318  9.05185e-01  9.81570e-01  0.00000e+00 0.00000e+00 5.46440e+01 47.318  5.98239e+00 227.318 0.5527 
1 1 1 10 5  2  o 16 4.66526e+01 1.91167e+01 8.47979e+01 318.041 3.31197e-01  -2.97777e-01 0.00000e+00 0.00000e+00 7.39682e+01 138.041 1.58766e+02 138.041 0.2173 
1 1 1 10 5  3  o 10 8.40372e+01 1.82235e+01 3.97509e+01 119.529 -1.83895e-01 3.24643e-01  0.00000e+00 0.00000e+00 2.32704e+01 299.529 6.30213e+01 299.529 0.1834 
1 1 1 10 5  4  o 6  2.53178e+02 1.23371e+01 2.26912e+02 146.267 -6.04651e+00 4.03750e+00  0.00000e+00 0.00000e+00 2.49054e+01 146.267 2.02007e+02 326.267 0.9284 
1 1 1 10 5  5  o 10 3.11442e+02 1.28928e+01 2.29528e+02 197.967 -8.44977e+00 -2.74020e+00 0.00000e+00 0.00000e+00 8.54495e+01 197.967 1.44078e+02 17.967  0.9419 
1 1 1 10 5  6  o 10 8.72805e+01 1.56400e+01 1.58969e+02 287.967 4.30254e-01  -1.32675e+00 0.00000e+00 0.00000e+00 1.05494e+02 107.967 2.64463e+02 107.967 0.5690 
1 1 1 10 5  7  o 5  4.59040e+02 1.29540e+01 1.81050e+02 41.044  6.17959e+00  5.38010e+00  0.00000e+00 0.00000e+00 2.83499e+02 41.044  1.02449e+02 41.044  0.9368 
1 1 1 10 5  8  o 4  2.23267e+02 1.25453e+01 1.15286e+02 179.586 -3.17052e+00 2.29048e-02  0.00000e+00 0.00000e+00 8.36807e+01 179.586 3.16054e+01 359.586 0.8218 
1 1 1 10 5  9  o 4  1.45955e+02 1.36115e+01 1.08647e+02 336.837 2.22378e+00  -9.51430e-01 0.00000e+00 0.00000e+00 1.14942e+01 336.837 9.71523e+01 156.837 0.7559 
1 1 1 10 5  10 f 0  1.51234e+02 1.21071e+01 3.37948e+01 325.464 6.08251e-01  -4.18599e-01 0.00000e+00 0.00000e+00 2.34823e+01 325.464 1.03125e+01 145.464 0.3461 
1 1 1 10 5  11 o 16 2.74154e+02 1.37690e+01 2.10766e+02 124.147 -5.04971e+00 7.44518e+00  0.00000e+00 0.00000e+00 7.35222e+01 124.147 1.37244e+02 304.147 0.9427 
1 1 1 10 5  12 o 16 1.88651e+02 1.49934e+01 4.22287e+01 5.471   1.22506e+00  1.17337e-01  0.00000e+00 0.00000e+00 6.67658e+01 5.471   2.45371e+01 5.471   0.5222 
1 1 1 10 5  13 o 16 1.80373e+02 1.44425e+01 1.48306e+02 291.903 1.90155e+00  -4.72945e+00 0.00000e+00 0.00000e+00 3.15596e+01 291.903 1.16746e+02 111.903 0.8956 
1 1 1 10 5  14 o 17 2.40817e+02 1.28556e+01 9.00769e+01 108.658 -1.21589e+00 3.60079e+00  0.00000e+00 0.00000e+00 1.40849e+02 108.658 5.07716e+01 108.658 0.8554 
1 1 1 10 5  15 o 9  1.54362e+02 1.50392e+01 7.97233e+01 67.080  7.99693e-01  1.89127e+00  0.00000e+00 0.00000e+00 4.34053e+01 67.080  3.63180e+01 247.080 0.7064 
1 1 1 10 5  16 o 14 3.87102e+02 1.55234e+01 1.90648e+02 277.124 1.20424e+00  -9.63481e+00 0.00000e+00 0.00000e+00 2.26581e+02 277.124 3.59326e+01 277.124 0.9470 
1 1 1 10 5  17 o 8  6.63444e+02 1.96656e+01 2.66681e+02 338.015 2.82359e+01  -1.13994e+01 0.00000e+00 0.00000e+00 4.82107e+02 338.015 2.15427e+02 338.015 0.9834 
1 1 1 10 5  18 o 2  2.74087e+02 1.44187e+01 1.27899e+02 353.590 5.75090e+00  -6.46066e-01 0.00000e+00 0.00000e+00 1.60539e+02 353.590 3.26397e+01 353.590 0.9089 
1 1 1 10 5  19 o 7  2.93298e+02 1.80862e+01 1.40052e+02 178.545 -6.59161e+00 1.67444e-01  0.00000e+00 0.00000e+00 1.75533e+02 178.545 3.54813e+01 178.545 0.9207 
1 1 1 10 5  20 o 6  3.61685e+02 1.57037e+01 2.12291e+02 139.903 -1.30565e+01 1.09933e+01  0.00000e+00 0.00000e+00 2.01877e+02 139.903 1.04133e+01 319.903 0.9702 
1 1 1 10 5  22 o 19 2.65053e+02 5.10813e+01 2.19551e+02 304.051 6.88257e+00  -1.01844e+01 0.00000e+00 0.00000e+00 8.66811e+01 304.051 1.32870e+02 124.051 0.9584 
1 1 1 10 5  23 o 16 1.76718e+02 2.29374e+01 5.34457e+01 222.195 -2.66208e+00 -2.41340e+00 0.00000e+00 0.00000e+00 1.28798e+02 222.195 7.53527e+01 222.195 0.8458 
1 1 1 10 5  24 o 18 1.71294e+02 4.62182e+01 1.05255e+02 81.534  6.97130e-01  4.68346e+00  0.00000e+00 0.00000e+00 8.21720e+01 81.534  2.30832e+01 261.534 0.8869 
1 1 1 10 5  25 o 2  9.58182e+01 3.05999e+01 1.00272e+02 129.249 -2.66488e+00 3.26178e+00  0.00000e+00 0.00000e+00 4.00103e+00 129.249 9.62713e+01 309.249 0.8712 
1 1 1 10 5  26 o 14 6.85892e+01 2.92404e+01 4.22780e+01 218.388 -9.93191e-01 -7.86867e-01 0.00000e+00 0.00000e+00 3.98549e+00 218.388 3.82925e+01 38.388  0.5331 
1 1 1 10 5  27 o 7  8.11850e+01 2.86701e+01 4.81227e+01 328.222 1.86342e+00  -1.15437e+00 0.00000e+00 0.00000e+00 2.75527e+01 328.222 2.05700e+01 148.222 0.7269 
1 1 1 10 5  28 o 13 7.92795e+01 2.89315e+01 3.98001e+01 148.880 -1.82613e+00 1.10245e+00  0.00000e+00 0.00000e+00 3.42602e+01 148.880 5.53984e+00 328.880 0.7185 
1 1 1 10 5  29 o 19 8.44347e+01 3.45255e+01 3.85801e+01 308.151 1.38221e+00  -1.75960e+00 0.00000e+00 0.00000e+00 4.30760e+01 308.151 4.49582e+00 308.151 0.7332 
1 1 1 10 5  30 o 9  7.42973e+01 2.89485e+01 1.78017e+01 327.599 9.68382e-01  -6.14587e-01 0.00000e+00 0.00000e+00 3.15397e+01 327.599 1.37380e+01 327.599 0.4960 
1 1 1 10 5  31 o 9  9.86810e+01 3.15150e+01 1.73684e+01 179.115 -1.44748e+00 2.23540e-02  0.00000e+00 0.00000e+00 6.08392e+01 179.115 4.34708e+01 179.115 0.5829 
1 1 1 10 5  32 f 0  5.05129e+01 2.41193e+01 7.19877e+00 322.358 3.72776e-01  -2.87515e-01 0.00000e+00 0.00000e+00 8.78673e+00 322.358 1.58796e+00 322.358 0.2291 
1 1 1 10 5  33 o 16 4.51517e+01 2.20814e+01 1.87210e+01 114.426 -5.58742e-01 1.23025e+00  0.00000e+00 0.00000e+00 1.66019e+01 114.426 2.11907e+00 294.426 0.5571 
1 1 1 10 5  34 o 8  4.45010e+01 2.19532e+01 1.70857e+01 180.464 -1.38781e+00 -1.12392e-02 0.00000e+00 0.00000e+00 1.89586e+01 180.464 1.87285e+00 180.464 0.5672 
1 1 1 10 6  0  o 8  5.57524e+02 2.91135e+01 3.20946e+01 180.000 -1.12179e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.51499e+02 180.000 4.19404e+02 180.000 0.8082 
1 1 1 10 6  2  f 0  2.09475e+02 2.13332e+01 1.22360e+02 71.505  1.00956e+00  3.01807e+00  0.00000e+00 0.00000e+00 6.27673e+01 71.505  5.95930e+01 251.505 0.8226 
1 1 1 10 6  3  o 17 2.60398e+02 1.52756e+01 1.02374e+02 230.805 -2.10280e+00 -2.57874e+00 0.00000e+00 0.00000e+00 1.30552e+02 230.805 2.81780e+01 230.805 0.8316 
1 1 1 10 6  4  o 13 3.39107e+02 1.32000e+01 1.04155e+02 95.946  -4.52457e-01 4.34412e+00  0.00000e+00 0.00000e+00 2.16065e+02 95.946  1.11910e+02 95.946  0.8763 
1 1 1 10 6  5  o 10 1.81231e+02 1.23305e+01 1.55214e+02 82.229  3.84118e-01  2.81455e+00  0.00000e+00 0.00000e+00 8.82040e-01 82.229  1.54332e+02 262.228 0.7975 
1 1 1 10 6  6  o 17 4.81636e+02 1.53582e+01 3.07648e+02 255.362 -3.69003e+00 -1.41278e+01 0.00000e+00 0.00000e+00 1.95793e+02 255.362 1.11856e+02 75.362  0.9651 
1 1 1 10 6  7  o 14 1.78952e+02 1.55933e+01 1.61081e+02 193.340 -3.45793e+00 -8.19996e-01 0.00000e+00 0.00000e+00 3.00743e+00 193.340 1.58074e+02 13.340  0.8439 
1 1 1 10 6  8  o 7  3.20133e+02 1.33125e+01 1.97966e+02 137.264 -7.17420e+00 6.62846e+00  0.00000e+00 0.00000e+00 1.32820e+02 137.264 6.51460e+01 317.264 0.9473 
1 1 1 10 6  9  o 1  2.71405e+02 1.12111e+01 1.34836e+02 351.577 5.30493e+00  -7.85583e-01 0.00000e+00 0.00000e+00 1.33080e+02 351.577 1.75608e+00 171.577 0.9012 
1 1 1 10 6  10 o 7  4.04366e+02 1.25814e+01 2.60898e+02 339.858 1.56971e+01  -5.75726e+00 0.00000e+00 0.00000e+00 1.70651e+02 339.858 9.02472e+01 159.858 0.9696 
1 1 1 10 6  11 o 9  1.49558e+02 1.52661e+01 1.35949e+02 209.684 -2.77415e+00 -1.58132e+00 0.00000e+00 0.00000e+00 2.99088e-01 209.684 1.35650e+02 29.684  0.8233 
1 1 1 10 6  12 o 12 3.01863e+02 1.45994e+01 1.68956e+02 215.180 -6.78375e+00 -4.78189e+00 0.00000e+00 0.00000e+00 1.46061e+02 215.180 2.28949e+01 35.180  0.9377 
1 1 1 10 6  13 o 2  3.30708e+02 1.40957e+01 2.15637e+02 319.345 1.01765e+01  -8.73941e+00 0.00000e+00 0.00000e+00 1.40666e+02 319.345 7.49712e+01 139.345 0.9620 
1 1 1 10 6  14 o 4  1.13024e+02 1.70770e+01 6.85442e+01 186.583 -1.30473e+00 -1.50566e-01 0.00000e+00 0.00000e+00 1.10811e+00 186.583 6.74361e+01 6.583   0.5465 
1 1 1 10 6  15 o 6  4.65159e+02 1.42207e+01 1.87237e+02 79.185  2.91453e+00  1.52565e+01  0.00000e+00 0.00000e+00 3.23840e+02 79.185  1.36602e+02 79.185  0.9673 
1 1 1 10 6  16 o 19 9.13532e+01 2.26539e+01 6.72634e+01 85.775  6.37542e-02  8.63017e-01  0.00000e+00 0.00000e+00 2.57792e+01 265.775 9.30425e+01 265.775 0.3967 
1 1 1 10 6  17 o 11 3.50201e+02 1.57839e+01 1.55266e+02 259.023 -1.78766e+00 -9.21659e+00 0.00000e+00 0.00000e+00 2.26826e+02 259.023 7.15605e+01 259.023 0.9451 
1 1 1 10 6  18 o 8  2.21174e+02 1.65032e+01 9.49857e+01 236.022 -1.90789e+00 -2.83090e+00 0.00000e+00 0.00000e+00 1.20477e+02 236.022 2.54911e+01 236.022 0.8365 
1 1 1 10 6  19 o 19 5.80423e+01 2.38642e+01 5.95488e+01 49.615  4.19999e-01  4.93756e-01  0.00000e+00 0.00000e+00 3.85199e+01 229.615 9.80687e+01 229.615 0.3082 
1 1 1 10 6  20 o 8  5.24917e+02 1.84675e+01 2.26845e+02 322.395 2.29084e+01  -1.76451e+01 0.00000e+00 0.00000e+00 3.85446e+02 322.395 1.58601e+02 322.395 0.9826 
1 1 1 10 6  21 o 9  2.42935e+02 3.59605e+01 6.55349e+01 234.839 -2.03908e+00 -2.89471e+00 0.00000e+00 0.00000e+00 1.80176e+02 234.839 1.14641e+02 234.839 0.8432 
1 1 1 10 6  23 o 18 1.08728e+02 2.92331e+01 3.71741e+01 244.033 -6.13523e-01 -1.25974e+00 0.00000e+00 0.00000e+00 3.89319e+01 244.033 1.75785e+00 244.033 0.5707 
1 1 1 10 6  24 o 6  1.62955e+02 2.97688e+01 1.13010e+02 189.547 -7.25977e+00 -1.22093e+00 0.00000e+00 0.00000e+00 7.49390e+01 189.547 3.80709e+01 9.547   0.9294 
1 1 1 10 6  25 o 9  5.46338e+01 2.56351e+01 2.74652e+01 302.625 3.98244e-01  -6.22127e-01 0.00000e+00 0.00000e+00 3.69727e+00 122.625 3.11625e+01 122.625 0.3462 
1 1 1 10 6  26 o 6  1.70406e+02 3.82323e+01 1.36559e+02 350.959 8.55892e+00  -1.36181e+00 0.00000e+00 0.00000e+00 6.73975e+01 350.959 6.91614e+01 170.959 0.9404 
1 1 1 10 6  27 o 6  7.21082e+01 2.80204e+01 6.28067e+01 62.006  1.26526e+00  2.38022e+00  0.00000e+00 0.00000e+00 1.01777e+01 62.006  5.26289e+01 242.006 0.7847 
1 1 1 10 6  28 o 5  1.33980e+02 3.46988e+01 6.70949e+01 181.460 -5.50662e+00 -1.40376e-01 0.00000e+00 0.00000e+00 9.13071e+01 181.460 2.42122e+01 181.460 0.9040 
1 1 1 10 6  29 o 13 6.19003e+01 2.82474e+01 4.07440e+00 165.389 -2.16578e-01 5.64607e-02  0.00000e+00 0.00000e+00 5.05956e+00 165.389 9.85156e-01 165.389 0.1112 
1 1 1 10 6  30 o 19 9.91687e+01 3.10176e+01 1.72138e+01 95.871  -1.45016e-01 1.41034e+00  0.00000e+00 0.00000e+00 5.95963e+01 95.871  4.23825e+01 95.871  0.5751 
1 1 1 10 6  31 o 13 5.02854e+01 2.36172e+01 3.55875e+01 184.175 -2.20690e+00 -1.61098e-01 0.00000e+00 0.00000e+00 1.45998e+01 184.175 2.09877e+01 4.175   0.7298 
1 1 1 10 6  32 o 10 5.56600e+01 2.55897e+01 2.29705e+01 284.345 3.81133e-01  -1.49035e+00 0.00000e+00 0.00000e+00 2.38547e+01 284.345 8.84252e-01 284.345 0.6055 
1 1 1 10 6  33 o 14 4.99639e+01 2.41535e+01 1.95472e+01 37.926  1.10763e+00  8.63065e-01  0.00000e+00 0.00000e+00 2.07867e+01 37.926  1.23958e+00 37.926  0.5715 
1 1 1 10 6  34 o 13 4.88631e+01 2.37134e+01 1.73868e+01 141.055 -1.11926e+00 9.04573e-01  0.00000e+00 0.00000e+00 2.33745e+01 141.055 5.98771e+00 141.055 0.5807 
1 1 1 10 7  0  o 8  4.87798e+02 2.70257e+01 3.87012e+02 0.000   1.15826e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.40162e+02 0.000   2.46850e+02 180.000 1.0000 
1 1 1 10 7  1  o 11 1.32156e+02 1.56199e+01 1.16746e+02 297.349 8.75155e-01  -1.69204e+00 0.00000e+00 0.00000e+00 1.93820e+01 117.349 1.36128e+02 117.349 0.6815 
1 1 1 10 7  2  f 0  6.01110e+02 3.06319e+01 4.23551e+02 195.619 -2.40691e+01 -6.72876e+00 0.00000e+00 0.00000e+00 2.13590e+02 195.619 2.09961e+02 15.619  0.9798 
1 1 1 10 7  3  o 15 1.80434e+02 1.52121e+01 1.89876e+02 75.193  8.84768e-01  3.34697e+00  0.00000e+00 0.00000e+00 2.58823e+01 255.193 2.15758e+02 255.193 0.8391 
1 1 1 10 7  4  o 19 1.07190e+02 1.37689e+01 1.39378e+02 29.199  1.30406e+00  7.28780e-01  0.00000e+00 0.00000e+00 7.02174e+01 209.199 2.09595e+02 209.199 0.5946 
1 1 1 10 7  5  o 5  2.57564e+02 1.24737e+01 1.17870e+02 272.281 1.52698e-01  -3.83354e+00 0.00000e+00 0.00000e+00 1.22170e+02 272.281 4.29979e+00 272.281 0.8569 
1 1 1 10 7  6  o 14 3.73694e+02 1.37250e+01 1.77316e+02 118.483 -3.90899e+00 7.20446e+00  0.00000e+00 0.00000e+00 2.04490e+02 118.483 2.71742e+01 118.483 0.9369 
1 1 1 10 7  7  o 5  4.54092e+02 1.84393e+01 1.66193e+02 81.519  1.69732e+00  1.13830e+01  0.00000e+00 0.00000e+00 3.08552e+02 81.519  1.42359e+02 81.519  0.9555 
1 1 1 10 7  8  o 6  2.67287e+02 1.30273e+01 1.53309e+02 234.031 -3.53679e+00 -4.87346e+00 0.00000e+00 0.00000e+00 1.14622e+02 234.031 3.86869e+01 54.031  0.9127 
1 1 1 10 7  9  o 16 3.75475e+02 1.22356e+01 2.01221e+02 155.292 -9.83738e+00 4.52632e+00  0.00000e+00 0.00000e+00 1.93323e+02 155.292 7.89783e+00 335.292 0.9526 
1 1 1 10 7  10 o 18 4.99112e+02 1.38333e+01 2.29088e+02 308.766 1.10985e+01  -1.38205e+01 0.00000e+00 0.00000e+00 3.08250e+02 308.766 7.91618e+01 308.766 0.9714 
1 1 1 10 7  11 o 9  9.99312e+01 1.95697e+01 4.20453e+01 320.335 5.25607e-01  -4.35827e-01 0.00000e+00 0.00000e+00 6.08868e+00 140.335 4.81340e+01 140.335 0.3229 
1 1 1 10 7  12 o 2  2.59153e+02 1.71552e+01 6.24831e+01 226.342 -2.11514e+00 -2.21665e+00 0.00000e+00 0.00000e+00 1.74100e+02 226.342 1.11617e+02 226.342 0.8146 
1 1 1 10 7  13 o 5  1.75554e+02 1.92419e+01 5.05195e+01 118.826 -7.37799e-01 1.34063e+00  0.00000e+00 0.00000e+00 6.89687e+01 118.826 1.84492e+01 118.826 0.6035 
1 1 1 10 7  14 o 13 2.52554e+02 1.28796e+01 1.30103e+02 239.871 -2.78787e+00 -4.80366e+00 0.00000e+00 0.00000e+00 1.29373e+02 239.871 7.30148e-01 59.871  0.9048 
1 1 1 10 7  15 o 12 3.85936e+02 1.51679e+01 1.48132e+02 333.966 6.82775e+00  -3.33507e+00 0.00000e+00 0.00000e+00 2.63140e+02 333.966 1.15007e+02 333.966 0.9317 
1 1 1 10 7  16 o 18 4.45798e+01 1.95544e+01 7.59691e+01 70.224  1.61002e-01  4.47781e-01  0.00000e+00 0.00000e+00 6.40755e+01 250.224 1.40045e+02 250.224 0.2314 
1 1 1 10 7  17 o 9  1.64668e+02 1.80450e+01 4.15418e+01 105.097 -2.78452e-01 1.03221e+00  0.00000e+00 0.00000e+00 4.84887e+01 105.097 6.94686e+00 105.097 0.4703 
1 1 1 10 7  18 o 19 6.86722e+01 2.52402e+01 7.10415e+01 139.038 -5.82470e-01 5.05651e-01  0.00000e+00 0.00000e+00 4.20844e+01 319.038 1.13126e+02 319.038 0.3596 
1 1 1 10 7  19 o 15 2.59334e+02 1.71962e+01 7.25626e+01 101.530 -8.43282e-01 4.13395e+00  0.00000e+00 0.00000e+00 1.94954e+02 101.530 1.22391e+02 101.530 0.8714 
1 1 1 10 7  20 o 5  2.14154e+02 5.33233e+01 2.18322e+02 298.304 4.37373e+00  -8.12147e+00 0.00000e+00 0.00000e+00 2.33789e+01 298.304 1.94944e+02 118.304 0.9441 
1 1 1 10 7  21 o 14 1.77983e+02 5.62992e+01 1.36981e+02 285.743 1.28079e+00  -4.54334e+00 0.00000e+00 0.00000e+00 5.35885e+01 285.743 8.33922e+01 105.743 0.8865 
1 1 1 10 7  22 o 10 1.23824e+02 5.07192e+01 1.31383e+02 143.855 -3.24740e+00 2.37198e+00  0.00000e+00 0.00000e+00 7.02432e-01 323.855 1.32085e+02 323.855 0.8643 
1 1 1 10 7  23 o 5  2.16159e+02 1.97545e+01 1.58894e+02 117.662 -6.09149e+00 1.16212e+01  0.00000e+00 0.00000e+00 9.76670e+01 117.662 6.12274e+01 297.662 0.9611 
1 1 1 10 7  24 o 12 9.25461e+01 3.00379e+01 2.00190e+01 334.936 6.77269e-01  -3.16742e-01 0.00000e+00 0.00000e+00 2.04518e+01 334.936 4.32801e-01 334.936 0.3499 
1 1 1 10 7  25 o 3  8.25971e+01 3.15362e+01 3.82410e+01 234.574 -8.11401e-01 -1.14065e+00 0.00000e+00 0.00000e+00 2.13642e+01 234.574 1.68768e+01 54.574  0.5704 
1 1 1 10 7  26 o 15 8.82013e+01 2.85310e+01 2.73437e+01 232.747 -7.72072e-01 -1.01523e+00 0.00000e+00 0.00000e+00 3.31915e+01 232.747 5.84780e+00 232.747 0.5355 
1 1 1 10 7  27 o 17 5.93294e+01 2.53660e+01 2.45813e+01 291.886 3.64263e-01  -9.06785e-01 0.00000e+00 0.00000e+00 9.19024e+00 291.886 1.53911e+01 111.886 0.4383 
1 1 1 10 7  28 o 12 9.54390e+01 3.07858e+01 3.41031e+01 317.185 1.62235e+00  -1.50308e+00 0.00000e+00 0.00000e+00 5.76053e+01 317.185 2.35021e+01 317.185 0.7296 
1 1 1 10 7  29 o 7  6.98281e+01 2.78146e+01 2.24860e+01 94.593  -1.12644e-01 1.40230e+00  0.00000e+00 0.00000e+00 3.09000e+01 94.593  8.41399e+00 94.593  0.5722 
1 1 1 10 7  30 o 19 6.61548e+01 2.97040e+01 2.60144e+01 56.194  8.28414e-01  1.23720e+00  0.00000e+00 0.00000e+00 2.72183e+01 56.194  1.20389e+00 56.194  0.5934 
1 1 1 10 7  31 o 12 5.47977e+01 2.52253e+01 2.57697e+01 346.261 1.74245e+00  -4.26017e-01 0.00000e+00 0.00000e+00 2.40973e+01 346.261 1.67241e+00 166.261 0.6608 
1 1 1 10 7  32 o 2  6.55900e+01 2.83058e+01 2.10204e+01 111.122 -5.57608e-01 1.44343e+00  0.00000e+00 0.00000e+00 3.47415e+01 111.122 1.37212e+01 111.122 0.6076 
1 1 1 10 7  33 o 7  4.93915e+01 2.38838e+01 2.85077e+01 186.727 -2.26640e+00 -2.67316e-01 0.00000e+00 0.00000e+00 2.34100e+01 186.727 5.09764e+00 6.727   0.7391 
1 1 1 10 7  34 o 10 4.33748e+01 2.14356e+01 7.99302e-01 28.825  6.19328e-02  3.40825e-02  0.00000e+00 0.00000e+00 1.41696e+00 28.825  6.17654e-01 28.825  0.0353 
1 1 1 10 8  0  o 8  2.29860e+02 2.18142e+01 3.16865e+02 180.000 -3.63646e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.68032e+01 0.000   3.83668e+02 0.000   0.9986 
1 1 1 10 8  1  o 4  3.23055e+01 1.44950e+01 1.42612e+02 174.730 -4.57970e-01 4.22426e-02  0.00000e+00 0.00000e+00 1.34723e+02 354.730 2.77335e+02 354.730 0.2241 
1 1 1 10 8  2  o 18 2.56079e+02 1.24770e+01 1.79929e+02 329.362 3.94794e+00  -2.33838e+00 0.00000e+00 0.00000e+00 6.66166e+01 329.362 1.13313e+02 149.362 0.8829 
1 1 1 10 8  3  f 0  6.27566e+01 1.96990e+01 2.91375e+01 283.632 5.36722e-02  -2.21312e-01 0.00000e+00 0.00000e+00 2.13855e+01 103.632 5.05231e+01 103.632 0.1131 
1 1 1 10 8  4  o 4  1.12986e+02 1.38400e+01 9.15950e+01 146.282 -1.07338e+00 7.16348e-01  0.00000e+00 0.00000e+00 2.48705e+01 326.282 1.16466e+02 326.282 0.5399 
1 1 1 10 8  5  o 4  2.62635e+02 1.26542e+01 1.33331e+02 47.491  2.91167e+00  3.17649e+00  0.00000e+00 0.00000e+00 1.18441e+02 47.491  1.48900e+01 227.491 0.8744 
1 1 1 10 8  6  o 7  1.24242e+02 1.38263e+01 6.31707e+01 178.504 -1.20729e+00 3.15297e-02  0.00000e+00 0.00000e+00 7.19157e+00 178.504 5.59791e+01 358.504 0.5152 
1 1 1 10 8  7  o 6  3.36622e+02 1.67043e+01 1.79278e+02 44.083  6.31384e+00  6.11491e+00  0.00000e+00 0.00000e+00 1.70191e+02 44.083  9.08702e+00 224.083 0.9413 
1 1 1 10 8  8  o 14 4.90430e+02 1.94672e+01 1.71682e+02 307.824 7.29058e+00  -9.39068e+00 0.00000e+00 0.00000e+00 3.47922e+02 307.824 1.76240e+02 307.824 0.9570 
1 1 1 10 8  9  o 12 5.54993e+02 1.46119e+01 3.77332e+02 220.760 -2.46913e+01 -2.12832e+01 0.00000e+00 0.00000e+00 2.30212e+02 220.760 1.47120e+02 40.760  0.9845 
1 1 1 10 8  10 f 0  2.65999e+02 1.17141e+01 1.64492e+02 93.798  -4.54636e-01 6.84937e+00  0.00000e+00 0.00000e+00 1.10097e+02 93.798  5.43953e+01 273.797 0.9240 
1 1 1 10 8  11 o 14 1.32163e+02 1.38094e+01 7.63456e+01 276.861 1.95388e-01  -1.62384e+00 0.00000e+00 0.00000e+00 1.68593e+01 276.861 5.94863e+01 96.861  0.6279 
1 1 1 10 8  12 o 4  1.42406e+02 2.01127e+01 6.60348e+01 244.769 -6.98300e-01 -1.48190e+00 0.00000e+00 0.00000e+00 3.50716e+01 244.769 3.09632e+01 64.769  0.6285 
1 1 1 10 8  13 o 1  5.62496e+02 2.14769e+01 2.56105e+02 124.075 -1.34639e+01 1.99050e+01  0.00000e+00 0.00000e+00 3.69908e+02 124.075 1.13803e+02 124.075 0.9790 
1 1 1 10 8  14 o 15 2.09878e+02 1.32566e+01 9.25149e+01 262.708 -4.41952e-01 -3.45366e+00 0.00000e+00 0.00000e+00 1.09310e+02 262.708 1.67951e+01 262.708 0.8401 
1 1 1 10 8  15 o 5  3.74385e+02 1.54030e+01 2.75287e+02 340.472 1.40633e+01  -4.98778e+00 0.00000e+00 0.00000e+00 1.41652e+02 340.472 1.33635e+02 160.472 0.9659 
1 1 1 10 8  16 o 5  2.88318e+02 1.37769e+01 1.37884e+02 211.272 -5.94490e+00 -3.61053e+00 0.00000e+00 0.00000e+00 1.72037e+02 211.272 3.41533e+01 211.272 0.9250 
1 1 1 10 8  17 o 17 3.59834e+02 1.57470e+01 1.69196e+02 202.887 -9.21888e+00 -3.89169e+00 0.00000e+00 0.00000e+00 2.30784e+02 202.887 6.15876e+01 202.887 0.9486 
1 1 1 10 8  18 o 1  4.34377e+02 1.68120e+01 1.23723e+02 333.801 9.43807e+00  -4.64393e+00 0.00000e+00 0.00000e+00 3.64719e+02 333.801 2.40996e+02 333.801 0.9512 
1 1 1 10 8  19 o 1  4.55543e+02 1.76434e+01 1.72913e+02 303.837 1.08232e+01  -1.61448e+01 0.00000e+00 0.00000e+00 3.56480e+02 303.837 1.83567e+02 303.837 0.9739 
1 1 1 10 8  20 o 6  2.15703e+02 1.82217e+01 2.40679e+01 281.869 2.75902e-01  -1.31273e+00 0.00000e+00 0.00000e+00 1.20039e+02 281.869 9.59709e+01 281.869 0.5544 
1 1 1 10 8  21 o 6  2.61005e+02 3.50712e+01 1.61335e+02 91.500  -2.83755e-01 1.08353e+01  0.00000e+00 0.00000e+00 1.41415e+02 91.500  1.99198e+01 271.500 0.9527 
1 1 1 10 8  22 o 9  1.35918e+02 5.27522e+01 8.95058e+01 53.707  1.80091e+00  2.45227e+00  0.00000e+00 0.00000e+00 4.65142e+01 53.707  4.29916e+01 233.707 0.8131 
1 1 1 10 8  23 o 8  1.31587e+02 5.41058e+01 1.26073e+02 202.510 -3.57631e+00 -1.48208e+00 0.00000e+00 0.00000e+00 1.45364e+01 202.510 1.11537e+02 22.510  0.8584 
1 1 1 10 8  24 o 15 9.16996e+01 3.23390e+01 4.16543e+01 18.043  1.55542e+00  5.06677e-01  0.00000e+00 0.00000e+00 3.08851e+01 18.043  1.07691e+01 198.043 0.6280 
1 1 1 10 8  25 o 17 9.90652e+01 4.45461e+01 1.29968e+02 0.155   4.14394e+00  1.11885e-02  0.00000e+00 0.00000e+00 2.01952e+01 180.155 1.50163e+02 180.155 0.8688 
1 1 1 10 8  26 o 13 5.89865e+01 2.51847e+01 4.50385e+01 142.110 -1.27213e+00 9.89977e-01  0.00000e+00 0.00000e+00 2.40654e+00 142.110 4.26319e+01 322.110 0.6226 
1 1 1 10 8  27 o 19 1.87843e+02 2.04471e+01 1.08013e+02 189.027 -1.67597e+01 -2.66266e+00 0.00000e+00 0.00000e+00 1.30562e+02 189.027 2.25486e+01 189.027 0.9701 
1 1 1 10 8  28 o 1  6.59199e+01 2.88690e+01 3.05678e+01 297.923 7.03211e-01  -1.32686e+00 0.00000e+00 0.00000e+00 2.16373e+01 297.923 8.93050e+00 117.923 0.5965 
1 1 1 10 8  29 o 13 8.94479e+01 3.05663e+01 3.35962e+01 28.309  2.10456e+00  1.13360e+00  0.00000e+00 0.00000e+00 5.70580e+01 28.309  2.34618e+01 28.309  0.7525 
1 1 1 10 8  30 o 14 8.22962e+01 3.36569e+01 5.74564e+01 217.183 -2.87376e+00 -2.17994e+00 0.00000e+00 0.00000e+00 3.77709e+01 217.183 1.96855e+01 37.183  0.8465 
1 1 1 10 8  31 o 5  7.10327e+01 2.87995e+01 4.05071e+01 300.626 1.58377e+00  -2.67524e+00 0.00000e+00 0.00000e+00 4.01233e+01 300.626 3.83713e-01 120.626 0.8177 
1 1 1 10 8  32 o 14 6.28731e+01 2.77868e+01 3.92312e+01 53.997  1.78371e+00  2.45479e+00  0.00000e+00 0.00000e+00 3.28164e+01 53.997  6.41485e+00 233.997 0.8125 
1 1 1 10 8  33 o 4  3.86059e+01 1.94308e+01 1.77382e+01 126.404 -8.35680e-01 1.13331e+00  0.00000e+00 0.00000e+00 1.39533e+01 126.404 3.78488e+00 306.404 0.5726 
1 1 1 10 8  34 f 0  6.10796e+01 2.79230e+01 1.34761e+01 15.329  1.09245e+00  2.99454e-01  0.00000e+00 0.00000e+00 3.02930e+01 15.329  1.68169e+01 15.329  0.4915 
1 1 1 10 9  0  o 18 3.58535e+02 2.37131e+01 2.35248e+02 180.000 -5.21546e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.58872e+02 180.000 7.63760e+01 0.000   0.9999 
1 1 1 10 9  1  o 4  6.47382e+02 2.25028e+01 3.28297e+02 154.287 -2.32853e+01 1.12129e+01  0.00000e+00 0.00000e+00 3.69649e+02 154.287 4.13517e+01 154.287 0.9805 
1 1 1 10 9  2  o 16 1.20622e+02 1.37058e+01 1.00709e+02 86.800  8.38209e-02  1.49930e+00  0.00000e+00 0.00000e+00 2.15272e+01 266.800 1.22236e+02 266.800 0.5965 
1 1 1 10 9  3  o 15 5.86957e+02 2.11990e+01 2.67085e+02 353.312 2.38208e+01  -2.79336e+00 0.00000e+00 0.00000e+00 3.66003e+02 353.312 9.89178e+01 353.312 0.9789 
1 1 1 10 9  4  o 10 5.22569e+02 1.98527e+01 2.91812e+02 275.872 2.37095e+00  -2.30520e+01 0.00000e+00 0.00000e+00 2.72393e+02 275.872 1.94189e+01 95.872  0.9782 
1 1 1 10 9  5  o 4  4.42752e+02 1.48382e+01 3.17508e+02 154.649 -1.93089e+01 9.14830e+00  0.00000e+00 0.00000e+00 1.60692e+02 154.649 1.56816e+02 334.649 0.9763 
1 1 1 10 9  6  o 1  1.70234e+02 1.61098e+01 9.93552e+01 342.215 2.33452e+00  -7.48854e-01 0.00000e+00 0.00000e+00 4.41001e+01 342.215 5.52551e+01 162.215 0.7596 
1 1 1 10 9  7  o 16 3.59996e+02 1.72328e+01 1.79998e+02 252.506 -3.07798e+00 -9.76582e+00 0.00000e+00 0.00000e+00 2.00573e+02 252.506 2.05749e+01 252.506 0.9498 
1 1 1 10 9  8  o 12 5.18826e+02 1.63228e+01 1.96270e+02 167.659 -1.54168e+01 3.37289e+00  0.00000e+00 0.00000e+00 3.64687e+02 167.659 1.68418e+02 167.659 0.9678 
1 1 1 10 9  9  o 12 4.89052e+02 1.37104e+01 2.72308e+02 51.085  1.31074e+01  1.62357e+01  0.00000e+00 0.00000e+00 2.63095e+02 51.085  9.21221e+00 231.085 0.9757 
1 1 1 10 9  10 o 14 1.75652e+02 1.22797e+01 3.91961e+01 239.642 -5.69441e-01 -9.72233e-01 0.00000e+00 0.00000e+00 5.77375e+01 239.642 1.85415e+01 239.642 0.4895 
1 1 1 10 9  11 o 2  1.52611e+02 1.35771e+01 8.37748e+01 266.129 -1.63489e-01 -2.41642e+00 0.00000e+00 0.00000e+00 4.70278e+01 266.129 3.67470e+01 86.129  0.7562 
1 1 1 10 9  12 f 0  8.14217e+01 2.53435e+01 5.21776e+01 212.855 -5.91175e-01 -3.81783e-01 0.00000e+00 0.00000e+00 2.13858e+01 32.855  7.35635e+01 32.855  0.3317 
1 1 1 10 9  13 o 5  8.03827e+01 2.48674e+01 5.18271e+01 52.590  4.39321e-01  5.74397e-01  0.00000e+00 0.00000e+00 2.04906e+01 232.590 7.23177e+01 232.590 0.3398 
1 1 1 10 9  14 o 14 4.19022e+02 1.53178e+01 1.37868e+02 338.847 7.14957e+00  -2.76638e+00 0.00000e+00 0.00000e+00 3.13340e+02 338.847 1.75472e+02 338.847 0.9323 
1 1 1 10 9  15 f 0  5.33451e+02 1.52038e+01 3.18969e+02 145.293 -2.47552e+01 1.71458e+01  0.00000e+00 0.00000e+00 2.91303e+02 145.293 2.76664e+01 325.293 0.9833 
1 1 1 10 9  16 o 10 5.65374e+02 1.56743e+01 2.56326e+02 199.976 -2.15198e+01 -7.82245e+00 0.00000e+00 0.00000e+00 3.92003e+02 199.976 1.35678e+02 199.976 0.9779 
1 1 1 10 9  17 o 8  2.69286e+02 1.60975e+01 1.30815e+02 344.129 5.58327e+00  -1.58733e+00 0.00000e+00 0.00000e+00 1.58687e+02 344.129 2.78719e+01 344.129 0.9092 
1 1 1 10 9  18 o 9  1.85801e+02 1.87181e+01 3.23461e+01 207.055 -1.19992e+00 -6.12843e-01 0.00000e+00 0.00000e+00 9.09038e+01 207.055 5.85577e+01 207.055 0.5561 
1 1 1 10 9  20 o 16 1.79869e+02 5.54049e+01 7.89258e+01 354.567 2.78109e+00  -2.64500e-01 0.00000e+00 0.00000e+00 9.46260e+01 354.567 1.57002e+01 354.567 0.7935 
1 1 1 10 9  22 o 12 1.01098e+02 2.87959e+01 2.90143e+01 174.436 -1.02058e+00 9.94162e-02  0.00000e+00 0.00000e+00 2.81589e+01 174.436 8.55393e-01 354.436 0.4553 
1 1 1 10 9  23 o 7  1.82830e+02 4.27609e+01 7.15651e+01 324.960 3.47280e+00  -2.43529e+00 0.00000e+00 0.00000e+00 1.28755e+02 324.960 5.71900e+01 324.960 0.8722 
1 1 1 10 9  24 o 15 5.02007e+01 2.38627e+01 1.62457e+01 303.471 2.28839e-01  -3.46120e-01 0.00000e+00 0.00000e+00 3.28352e+00 123.471 1.95292e+01 123.471 0.2031 
1 1 1 10 9  25 o 11 6.85533e+01 2.76142e+01 1.41319e+01 267.139 -2.17120e-02 -4.34415e-01 0.00000e+00 0.00000e+00 4.61569e+00 267.139 9.51616e+00 87.139  0.2125 
1 1 1 10 9  26 o 8  4.99629e+01 2.30236e+01 2.93691e+01 7.207   9.66751e-01  1.22252e-01  0.00000e+00 0.00000e+00 8.88586e-01 187.207 3.02577e+01 187.207 0.4373 
1 1 1 10 9  27 o 14 7.39615e+01 2.83976e+01 5.97189e+01 139.929 -2.47271e+00 2.08007e+00  0.00000e+00 0.00000e+00 2.09681e+01 139.929 3.87508e+01 319.929 0.8257 
1 1 1 10 9  28 o 16 7.29799e+01 2.85554e+01 5.33327e+01 144.703 -2.62780e+00 1.86037e+00  0.00000e+00 0.00000e+00 2.73243e+01 144.703 2.60084e+01 324.703 0.8250 
1 1 1 10 9  29 o 17 8.25797e+01 2.97789e+01 2.05233e+01 319.072 1.07784e+00  -9.34566e-01 0.00000e+00 0.00000e+00 4.42831e+01 319.072 2.37598e+01 319.072 0.5775 
1 1 1 10 9  30 o 11 5.59946e+01 2.66208e+01 1.77103e+01 299.736 4.96197e-01  -8.68656e-01 0.00000e+00 0.00000e+00 1.67790e+01 299.736 9.31302e-01 119.736 0.4465 
1 1 1 10 9  31 o 1  6.36181e+01 2.94757e+01 3.05963e+01 144.840 -1.63332e+00 1.15045e+00  0.00000e+00 0.00000e+00 3.15538e+01 144.840 9.57501e-01 144.840 0.6974 
1 1 1 10 9  32 o 14 5.96473e+01 2.69962e+01 1.38373e+01 207.066 -9.20998e-01 -4.70618e-01 0.00000e+00 0.00000e+00 2.50768e+01 207.066 1.12395e+01 207.066 0.4584 
1 1 1 10 9  33 o 11 6.96929e+01 2.98502e+01 2.95206e+01 341.051 2.30178e+00  -7.90264e-01 0.00000e+00 0.00000e+00 4.68644e+01 341.051 1.73438e+01 341.051 0.7576 
1 1 1 10 9  34 o 17 5.55771e+01 2.63705e+01 7.97216e+00 321.956 5.21755e-01  -4.08278e-01 0.00000e+00 0.00000e+00 1.77312e+01 321.956 9.75900e+00 321.956 0.3143 
1 1 1 10 10 0  o 5  1.26167e+02 2.64016e+01 8.58287e+01 0.000   8.21745e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.88807e+00 0.000   7.69406e+01 180.000 0.6760 
1 1 1 10 10 1  o 2  2.44439e+02 1.54127e+01 1.57024e+02 29.262  5.12181e+00  2.86971e+00  0.00000e+00 0.00000e+00 9.01421e+01 29.262  6.68822e+01 209.262 0.9103 
1 1 1 10 10 2  o 19 3.24863e+02 1.32901e+01 1.34371e+02 320.998 5.05247e+00  -4.09168e+00 0.00000e+00 0.00000e+00 1.97688e+02 320.998 6.33174e+01 320.998 0.9195 
1 1 1 10 10 3  f 0  4.86649e+02 1.55938e+01 2.59425e+02 146.705 -1.55078e+01 1.01847e+01  0.00000e+00 0.00000e+00 2.67425e+02 146.705 7.99989e+00 146.705 0.9727 
1 1 1 10 10 4  o 15 2.20933e+02 1.58794e+01 9.09888e+01 76.163  6.98375e-01  2.83527e+00  0.00000e+00 0.00000e+00 1.07042e+02 76.163  1.60532e+01 76.163  0.8039 
1 1 1 10 10 5  f 0  4.16626e+02 1.45708e+01 3.40047e+02 257.758 -4.81924e+00 -2.22106e+01 0.00000e+00 0.00000e+00 1.15184e+02 257.758 2.24863e+02 77.758  0.9777 
1 1 1 10 10 6  o 7  2.74986e+02 1.62563e+01 1.48888e+02 187.733 -6.37297e+00 -8.65359e-01 0.00000e+00 0.00000e+00 1.34180e+02 187.733 1.47079e+01 7.733   0.9186 
1 1 1 10 10 7  o 18 2.66420e+02 1.63915e+01 2.07738e+02 95.363  -8.19961e-01 8.73431e+00  0.00000e+00 0.00000e+00 7.41736e+01 95.363  1.33565e+02 275.363 0.9412 
1 1 1 10 10 8  f 0  1.64722e+02 1.44799e+01 1.13363e+02 152.527 -2.76128e+00 1.43575e+00  0.00000e+00 0.00000e+00 3.86956e+01 152.527 7.46675e+01 332.527 0.8180 
1 1 1 10 10 9  o 14 1.17983e+02 1.66244e+01 1.05890e+02 227.709 -1.36072e+00 -1.49590e+00 0.00000e+00 0.00000e+00 1.20969e+01 47.709  1.17987e+02 47.709  0.7014 
1 1 1 10 10 10 o 15 4.91876e+02 1.38908e+01 2.48514e+02 317.853 1.72092e+01  -1.55754e+01 0.00000e+00 0.00000e+00 2.99465e+02 317.853 5.09505e+01 317.853 0.9782 
1 1 1 10 10 11 o 9  1.94676e+02 1.38975e+01 3.99760e+01 87.469  5.97896e-02  1.35273e+00  0.00000e+00 0.00000e+00 8.43792e+01 87.469  4.44032e+01 87.469  0.5579 
1 1 1 10 10 12 o 12 2.20183e+02 1.80353e+01 4.42903e+01 128.153 -1.08571e+00 1.38201e+00  0.00000e+00 0.00000e+00 1.21447e+02 128.153 7.71568e+01 128.153 0.6536 
1 1 1 10 10 13 o 3  1.60389e+02 1.82502e+01 4.93391e+01 297.968 4.93724e-01  -9.29799e-01 0.00000e+00 0.00000e+00 3.70470e+01 297.968 1.22921e+01 117.968 0.4648 
1 1 1 10 10 14 o 2  2.17752e+02 1.72989e+01 9.79302e+01 75.621  7.58949e-01  2.96046e+00  0.00000e+00 0.00000e+00 1.08895e+02 75.621  1.09645e+01 75.621  0.8141 
1 1 1 10 10 15 o 8  5.37314e+02 1.53357e+01 2.37971e+02 162.753 -1.95743e+01 6.07679e+00  0.00000e+00 0.00000e+00 3.77952e+02 162.753 1.39981e+02 162.753 0.9753 
1 1 1 10 10 16 o 2  4.05254e+02 1.43699e+01 1.39543e+02 275.749 9.35033e-01  -9.28802e+00 0.00000e+00 0.00000e+00 3.14015e+02 275.749 1.74472e+02 275.749 0.9448 
1 1 1 10 10 17 o 2  2.59515e+02 1.46243e+01 1.57178e+02 310.822 5.27422e+00  -6.10552e+00 0.00000e+00 0.00000e+00 1.32903e+02 310.822 2.42753e+01 130.822 0.9358 
1 1 1 10 10 18 o 2  8.40963e+01 2.67422e+01 1.50334e+01 320.720 2.28717e-01  -1.87072e-01 0.00000e+00 0.00000e+00 2.22548e-01 140.720 1.52560e+01 140.720 0.1461 
1 1 1 10 10 19 o 19 2.67337e+02 5.15048e+01 1.18408e+02 119.868 -2.99771e+00 5.21998e+00  0.00000e+00 0.00000e+00 1.78366e+02 119.868 5.99577e+01 119.868 0.9127 
1 1 1 10 10 20 o 16 2.33250e+02 5.32518e+01 1.60895e+02 124.835 -4.41841e+00 6.34906e+00  0.00000e+00 0.00000e+00 1.06403e+02 124.835 5.44919e+01 304.835 0.9329 
1 1 1 10 10 21 o 8  1.45373e+02 2.35292e+01 5.07240e+01 267.429 -1.26855e-01 -2.82542e+00 0.00000e+00 0.00000e+00 9.29763e+01 267.429 4.22523e+01 267.429 0.7964 
1 1 1 10 10 22 o 3  2.30019e+02 1.85580e+01 1.26403e+02 261.964 -1.53252e+00 -1.08546e+01 0.00000e+00 0.00000e+00 1.48699e+02 261.964 2.22966e+01 261.964 0.9532 
1 1 1 10 10 23 o 1  6.43050e+01 2.65824e+01 2.28529e+01 342.753 5.96602e-01  -1.85210e-01 0.00000e+00 0.00000e+00 1.46760e+00 342.753 2.13853e+01 162.753 0.2980 
1 1 1 10 10 24 o 12 1.67546e+02 2.68700e+01 7.47428e+01 354.049 5.45911e+00  -5.69045e-01 0.00000e+00 0.00000e+00 1.19667e+02 354.049 4.49241e+01 354.049 0.9036 
1 1 1 10 10 25 o 19 1.19056e+02 2.60856e+01 5.81468e+01 211.803 -3.26815e+00 -2.02660e+00 0.00000e+00 0.00000e+00 7.45499e+01 211.803 1.64031e+01 211.803 0.8573 
1 1 1 10 10 26 o 9  1.10068e+02 2.81627e+01 5.22457e+01 98.836  -5.56775e-01 3.58167e+00  0.00000e+00 0.00000e+00 7.05793e+01 98.836  1.83336e+01 98.836  0.8474 
1 1 1 10 10 27 o 5  8.04392e+01 2.97776e+01 8.14995e+01 26.118  4.30002e+00  2.10822e+00  0.00000e+00 0.00000e+00 1.38598e+01 26.118  6.76397e+01 206.118 0.8882 
1 1 1 10 10 28 o 15 4.84564e+01 2.27458e+01 7.26590e+00 110.808 -1.32717e-01 3.49227e-01  0.00000e+00 0.00000e+00 4.77444e+00 110.808 2.49146e+00 290.808 0.1836 
1 1 1 10 10 29 o 9  9.62863e+01 3.03531e+01 5.92223e+01 194.193 -4.67266e+00 -1.18176e+00 0.00000e+00 0.00000e+00 5.82964e+01 194.193 9.25915e-01 14.193  0.8890 
1 1 1 10 10 30 o 15 7.85682e+01 3.07206e+01 2.00899e+01 86.824  8.09723e-02  1.45910e+00  0.00000e+00 0.00000e+00 4.41127e+01 86.824  2.40228e+01 86.824  0.5864 
1 1 1 10 10 31 o 16 6.38231e+01 2.95429e+01 2.49260e+01 41.622  1.26042e+00  1.11993e+00  0.00000e+00 0.00000e+00 3.27732e+01 41.622  7.84722e+00 41.622  0.6389 
1 1 1 10 10 32 o 8  4.68094e+01 2.27044e+01 2.29542e+01 245.024 -7.83658e-01 -1.68240e+00 0.00000e+00 0.00000e+00 2.23132e+01 245.024 6.41015e-01 65.024  0.6726 
1 1 1 10 10 33 o 6  5.79489e+01 2.67823e+01 6.43908e+00 262.571 -6.81386e-02 -5.22567e-01 0.00000e+00 0.00000e+00 1.51359e+01 262.571 8.69683e+00 262.571 0.2548 
1 1 1 10 11 0  o 18 6.46071e+02 3.22370e+01 1.61919e+02 180.000 -8.21379e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.63626e+02 180.000 4.01707e+02 180.000 1.0000 
1 1 1 10 11 1  o 4  2.57609e+02 1.28786e+01 1.21263e+02 345.020 4.88394e+00  -1.30683e+00 0.00000e+00 0.00000e+00 1.37626e+02 345.020 1.63628e+01 345.020 0.8947 
1 1 1 10 11 2  o 18 5.29991e+02 1.63741e+01 2.47672e+02 333.069 1.86816e+01  -9.49053e+00 0.00000e+00 0.00000e+00 3.33720e+02 333.069 8.60481e+01 333.069 0.9758 
1 1 1 10 11 3  o 4  1.56577e+02 1.38658e+01 9.63521e+01 188.564 -2.37992e+00 -3.58406e-01 0.00000e+00 0.00000e+00 3.66122e+01 188.564 5.97400e+01 8.564   0.7545 
1 1 1 10 11 4  o 1  6.44087e+02 2.27326e+01 3.13948e+02 151.214 -2.71963e+01 1.49425e+01  0.00000e+00 0.00000e+00 4.00495e+02 151.214 8.65470e+01 151.214 0.9838 
1 1 1 10 11 5  o 16 2.54396e+02 1.31411e+01 9.88062e+01 78.344  8.15722e-01  3.95412e+00  0.00000e+00 0.00000e+00 1.49862e+02 78.344  5.10561e+01 78.344  0.8649 
1 1 1 10 11 7  o 9  5.35635e+02 2.05293e+01 2.52692e+02 131.638 -1.45828e+01 1.64033e+01  0.00000e+00 0.00000e+00 3.42272e+02 131.638 8.95805e+01 131.638 0.9769 
1 1 1 10 11 8  o 14 2.08703e+02 1.63396e+01 1.26892e+02 37.709  4.02628e+00  3.11291e+00  0.00000e+00 0.00000e+00 8.63864e+01 37.709  4.05058e+01 217.709 0.8954 
1 1 1 10 11 9  o 2  1.75562e+02 1.47276e+01 1.19747e+02 320.131 2.89207e+00  -2.41550e+00 0.00000e+00 0.00000e+00 5.20962e+01 320.131 6.76504e+01 140.131 0.8540 
1 1 1 10 11 10 o 9  1.93719e+02 1.23165e+01 1.72577e+02 241.909 -2.75308e+00 -5.15808e+00 0.00000e+00 0.00000e+00 3.04276e+01 241.909 1.42150e+02 61.909  0.9099 
1 1 1 10 11 11 o 19 1.71608e+02 1.44349e+01 9.54281e+01 108.462 -9.49387e-01 2.84362e+00  0.00000e+00 0.00000e+00 6.54761e+01 108.462 2.99520e+01 288.462 0.8098 
1 1 1 10 11 12 o 9  3.81464e+02 1.30035e+01 1.74232e+02 19.282  8.50241e+00  2.97449e+00  0.00000e+00 0.00000e+00 2.44563e+02 19.282  7.03308e+01 19.282  0.9427 
1 1 1 10 11 13 o 2  5.53241e+01 2.32882e+01 3.12525e+01 111.310 -8.89301e-02 2.27975e-01  0.00000e+00 0.00000e+00 2.33786e+01 291.310 5.46310e+01 291.310 0.1214 
1 1 1 10 11 14 o 16 8.30007e+02 2.29515e+01 3.06905e+02 177.208 -4.00653e+01 1.95360e+00  0.00000e+00 0.00000e+00 6.60145e+02 177.208 3.53240e+02 177.208 0.9875 
1 1 1 10 11 15 o 7  5.57896e+02 1.55417e+01 2.38222e+02 252.156 -6.77586e+00 -2.10485e+01 0.00000e+00 0.00000e+00 4.09707e+02 252.156 1.71485e+02 252.156 0.9771 
1 1 1 10 11 16 o 14 2.32221e+02 1.47844e+01 7.61329e+01 344.002 3.40254e+00  -9.75511e-01 0.00000e+00 0.00000e+00 1.58412e+02 344.002 8.22788e+01 344.002 0.8431 
1 1 1 10 11 17 f 0  2.22218e+02 1.62186e+01 1.31977e+02 53.706  3.93638e+00  5.35982e+00  0.00000e+00 0.00000e+00 1.15346e+02 53.706  1.66304e+01 233.706 0.9214 
1 1 1 10 11 18 o 14 1.59388e+02 2.12803e+01 9.95100e+01 254.354 -1.18641e+00 -4.23601e+00 0.00000e+00 0.00000e+00 7.08886e+01 254.354 2.86214e+01 74.354  0.8773 
1 1 1 10 11 19 o 7  2.82164e+02 1.80817e+01 7.29677e+01 121.920 -3.19931e+00 5.13594e+00  0.00000e+00 0.00000e+00 2.43961e+02 121.920 1.70993e+02 121.920 0.9131 
1 1 1 10 11 20 o 6  1.60769e+02 5.54421e+01 1.64650e+02 103.763 -1.45122e+00 5.92494e+00  0.00000e+00 0.00000e+00 1.78592e+01 103.763 1.46791e+02 283.763 0.9139 
1 1 1 10 11 21 o 6  7.89072e+01 2.84060e+01 1.43213e+01 144.269 -3.23677e-01 2.32849e-01  0.00000e+00 0.00000e+00 5.04098e+00 144.269 9.28033e+00 324.269 0.1955 
1 1 1 10 11 22 o 11 1.68596e+02 3.11463e+01 1.10899e+02 261.513 -1.08883e+00 -7.29689e+00 0.00000e+00 0.00000e+00 8.79378e+01 261.513 2.29615e+01 81.513  0.9295 
1 1 1 10 11 23 o 9  9.09263e+01 3.18797e+01 2.39497e+01 137.391 -7.15716e-01 6.58332e-01  0.00000e+00 0.00000e+00 2.69875e+01 137.391 3.03780e+00 137.391 0.4365 
1 1 1 10 11 24 o 10 5.40486e+01 2.40057e+01 1.24986e+01 88.223  1.00191e-02  3.22860e-01  0.00000e+00 0.00000e+00 1.30833e+00 268.223 1.38069e+01 268.223 0.1594 
1 1 1 10 11 25 o 18 6.29503e+01 2.63391e+01 3.94128e+01 192.362 -1.51247e+00 -3.31481e-01 0.00000e+00 0.00000e+00 1.08953e+01 192.362 2.85175e+01 12.362  0.6079 
1 1 1 10 11 26 o 7  1.05524e+02 3.01329e+01 2.65171e+01 145.983 -1.52666e+00 1.03041e+00  0.00000e+00 0.00000e+00 6.76405e+01 145.983 4.11234e+01 145.983 0.6700 
1 1 1 10 11 27 o 2  9.00239e+01 3.09717e+01 6.63560e+01 336.568 4.21235e+00  -1.82560e+00 0.00000e+00 0.00000e+00 4.09229e+01 336.568 2.54332e+01 156.568 0.8829 
1 1 1 10 11 28 o 6  8.34579e+01 2.99180e+01 5.43550e+01 317.805 2.82469e+00  -2.56078e+00 0.00000e+00 0.00000e+00 4.34010e+01 317.805 1.09539e+01 137.805 0.8559 
1 1 1 10 11 29 o 6  4.45680e+01 2.14173e+01 3.80783e+01 92.630  -9.56766e-02 2.08313e+00  0.00000e+00 0.00000e+00 5.93309e+00 92.630  3.21453e+01 272.630 0.7113 
1 1 1 10 11 30 o 18 9.57739e+01 3.13456e+01 4.07832e+01 107.067 -1.08888e+00 3.54673e+00  0.00000e+00 0.00000e+00 7.41159e+01 107.067 3.33327e+01 107.067 0.8514 
1 1 1 10 11 31 o 11 6.62167e+01 3.09359e+01 3.00241e+01 292.852 8.12995e-01  -1.92917e+00 0.00000e+00 0.00000e+00 3.74925e+01 292.852 7.46840e+00 292.852 0.7125 
1 1 1 10 11 32 o 13 4.59613e+01 2.29854e+01 1.26044e+01 314.138 6.75956e-01  -6.96616e-01 0.00000e+00 0.00000e+00 1.65235e+01 314.138 3.91910e+00 314.138 0.4359 
1 1 1 10 11 33 o 10 5.94552e+01 2.74479e+01 2.64955e+01 148.787 -1.89034e+00 1.14540e+00  0.00000e+00 0.00000e+00 3.76014e+01 148.787 1.11059e+01 148.787 0.7295 
1 1 1 10 12 0  o 8  4.68197e+02 2.68540e+01 2.69217e+02 0.000   9.98420e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.63061e+02 0.000   6.15601e+00 180.000 1.0000 
1 1 1 10 12 1  f 0  2.28980e+02 1.57399e+01 4.80362e+01 179.450 -1.75784e+00 1.68887e-02  0.00000e+00 0.00000e+00 1.22187e+02 179.450 7.41510e+01 179.450 0.6537 
1 1 1 10 12 2  o 14 1.00043e+02 1.68045e+01 1.17099e+02 129.686 -1.18682e+00 1.43026e+00  0.00000e+00 0.00000e+00 4.04641e+01 309.686 1.57563e+02 309.686 0.6731 
1 1 1 10 12 3  f 0  7.31791e+01 1.94459e+01 3.16209e+01 199.587 -3.40532e-01 -1.21168e-01 0.00000e+00 0.00000e+00 1.67923e+01 19.587  4.84132e+01 19.587  0.1778 
1 1 1 10 12 4  o 17 3.78490e+02 1.42240e+01 2.05137e+02 249.324 -4.60225e+00 -1.21949e+01 0.00000e+00 0.00000e+00 2.09978e+02 249.324 4.84098e+00 249.324 0.9608 
1 1 1 10 12 5  o 16 4.67863e+02 2.78058e+01 2.71574e+02 88.410  5.54514e-01  1.99803e+01  0.00000e+00 0.00000e+00 2.50123e+02 88.410  2.14512e+01 268.410 0.9747 
1 1 1 10 12 6  o 12 5.15325e+02 2.02230e+01 3.27219e+02 82.747  4.05700e+00  3.18760e+01  0.00000e+00 0.00000e+00 2.54707e+02 82.747  7.25124e+01 262.747 0.9843 
1 1 1 10 12 7  o 2  3.09011e+02 1.39219e+01 1.91138e+02 270.847 1.67580e-01  -1.13327e+01 0.00000e+00 0.00000e+00 1.48462e+02 270.847 4.26767e+01 90.847  0.9548 
1 1 1 10 12 8  o 4  7.56063e+02 2.08280e+01 3.30566e+02 339.969 4.09002e+01  -1.49114e+01 0.00000e+00 0.00000e+00 5.32870e+02 339.969 2.02304e+02 339.969 0.9884 
1 1 1 10 12 9  f 0  2.03264e+02 1.42932e+01 6.47292e+01 339.004 2.12904e+00  -8.17094e-01 0.00000e+00 0.00000e+00 1.09531e+02 339.004 4.48023e+01 339.004 0.7389 
1 1 1 10 12 10 o 12 2.25898e+02 1.70395e+01 1.44104e+02 149.003 -5.05876e+00 3.03927e+00  0.00000e+00 0.00000e+00 9.57777e+01 149.003 4.83265e+01 329.003 0.9108 
1 1 1 10 12 11 o 9  1.71404e+02 1.47252e+01 1.73259e+02 225.360 -2.82165e+00 -2.85736e+00 0.00000e+00 0.00000e+00 3.45163e-01 225.360 1.72914e+02 45.360  0.8641 
1 1 1 10 12 12 o 19 5.62800e+02 1.51290e+01 2.46518e+02 313.065 1.38177e+01  -1.47841e+01 0.00000e+00 0.00000e+00 4.00366e+02 313.065 1.53849e+02 313.065 0.9750 
1 1 1 10 12 13 o 14 6.44283e+02 1.93648e+01 2.86304e+02 115.303 -1.26644e+01 2.67876e+01  0.00000e+00 0.00000e+00 4.65041e+02 115.303 1.78737e+02 115.303 0.9830 
1 1 1 10 12 14 o 19 7.69145e+02 2.18271e+01 2.90880e+02 180.538 -3.66480e+01 -3.44414e-01 0.00000e+00 0.00000e+00 6.15219e+02 180.538 3.24340e+02 180.538 0.9863 
1 1 1 10 12 15 o 2  2.99495e+02 1.60158e+01 1.62251e+02 286.538 2.29513e+00  -7.72918e+00 0.00000e+00 0.00000e+00 1.74964e+02 286.538 1.27124e+01 286.538 0.9358 
1 1 1 10 12 16 o 7  2.48360e+02 1.51453e+01 8.98410e+01 30.627  4.42104e+00  2.61742e+00  0.00000e+00 0.00000e+00 1.80163e+02 30.627  9.03225e+01 30.627  0.8965 
1 1 1 10 12 17 o 8  3.66943e+02 1.49367e+01 1.75359e+02 98.263  -2.70034e+00 1.85949e+01  0.00000e+00 0.00000e+00 2.61236e+02 98.263  8.58773e+01 98.263  0.9730 
1 1 1 10 12 18 o 3  5.13959e+01 2.25167e+01 3.42626e+01 116.347 -2.25162e-01 4.54650e-01  0.00000e+00 0.00000e+00 1.86746e+01 296.347 5.29372e+01 296.347 0.2458 
1 1 1 10 12 19 o 1  1.99144e+02 5.48980e+01 9.53094e+01 227.715 -2.56434e+00 -2.81968e+00 0.00000e+00 0.00000e+00 1.16924e+02 227.715 2.16149e+01 227.715 0.8559 
1 1 1 10 12 20 o 12 1.54255e+02 4.54980e+01 1.25444e+02 302.243 2.90304e+00  -4.60225e+00 0.00000e+00 0.00000e+00 4.96623e+01 302.243 7.57813e+01 122.243 0.9027 
1 1 1 10 12 21 o 12 9.33493e+01 2.78429e+01 3.44108e+01 50.196  8.63659e-01  1.03643e+00  0.00000e+00 0.00000e+00 3.16023e+01 50.196  2.80858e+00 230.196 0.5566 
1 1 1 10 12 22 o 19 1.58560e+02 2.22624e+01 1.02320e+02 111.622 -3.04618e+00 7.68529e+00  0.00000e+00 0.00000e+00 8.85956e+01 111.622 1.37241e+01 291.622 0.9374 
1 1 1 10 12 23 o 7  5.67963e+01 2.58072e+01 1.49494e+01 351.881 3.76088e-01  -5.36505e-02 0.00000e+00 0.00000e+00 1.18106e+00 171.881 1.61304e+01 171.881 0.1866 
1 1 1 10 12 24 o 1  9.92508e+01 3.00469e+01 2.28822e+01 275.091 1.03995e-01  -1.16721e+00 0.00000e+00 0.00000e+00 4.28732e+01 275.091 1.99910e+01 275.091 0.5040 
1 1 1 10 12 25 o 17 6.23850e+01 2.62517e+01 2.82123e+01 96.540  -1.32624e-01 1.15691e+00  0.00000e+00 0.00000e+00 1.34397e+01 96.540  1.47725e+01 276.540 0.5016 
1 1 1 10 12 26 o 4  5.53048e+01 2.52079e+01 9.16045e+00 47.066  2.88412e-01  3.09997e-01  0.00000e+00 0.00000e+00 6.28098e+00 47.066  2.87946e+00 227.066 0.2071 
1 1 1 10 12 27 o 14 1.10049e+02 2.96480e+01 4.38523e+01 217.116 -3.24603e+00 -2.45642e+00 0.00000e+00 0.00000e+00 8.63885e+01 217.116 4.25361e+01 217.116 0.8662 
1 1 1 10 12 28 o 16 5.43896e+01 2.48048e+01 1.22023e+01 234.020 -4.02074e-01 -5.53815e-01 0.00000e+00 0.00000e+00 1.21814e+01 234.020 2.09361e-02 54.020  0.3236 
1 1 1 10 12 29 o 10 5.61728e+01 2.54485e+01 7.88934e+00 46.453  3.50133e-01  3.68354e-01  0.00000e+00 0.00000e+00 1.15508e+01 46.453  3.66144e+00 46.453  0.2462 
1 1 1 10 12 30 o 16 4.89342e+01 2.39226e+01 3.42709e+01 293.731 8.71183e-01  -1.98169e+00 0.00000e+00 0.00000e+00 1.62021e+01 293.731 1.80687e+01 113.731 0.7231 
1 1 1 10 12 31 o 12 4.91657e+01 2.43741e+01 2.61687e+01 322.414 1.44366e+00  -1.11119e+00 0.00000e+00 0.00000e+00 2.12819e+01 322.414 4.88680e+00 142.415 0.6662 
1 1 1 10 12 32 o 2  7.19210e+01 3.25943e+01 2.56928e+01 111.666 -6.96128e-01 1.75235e+00  0.00000e+00 0.00000e+00 4.60829e+01 111.666 2.03901e+01 111.666 0.6781 
1 1 1 10 13 0  o 9  5.90674e+01 3.07328e+01 1.00171e+02 0.000   4.78602e-01  0.00000e+00  0.00000e+00 0.00000e+00 6.98790e+01 180.000 1.70050e+02 180.000 0.4451 
1 1 1 10 13 1  o 8  1.20169e+02 1.53550e+01 5.59115e+01 83.633  1.23099e-01  1.10311e+00  0.00000e+00 0.00000e+00 1.11145e+01 83.633  4.47970e+01 263.633 0.4840 
1 1 1 10 13 2  o 2  2.39114e+02 1.32423e+01 1.59783e+02 101.173 -1.46240e+00 7.40381e+00  0.00000e+00 0.00000e+00 9.70028e+01 101.173 6.27806e+01 281.173 0.9312 
1 1 1 10 13 3  o 17 2.04321e+02 1.34192e+01 1.20543e+02 208.381 -4.24993e+00 -2.29612e+00 0.00000e+00 0.00000e+00 8.92752e+01 208.381 3.12683e+01 28.381  0.8893 
1 1 1 10 13 4  o 5  4.23613e+02 1.48788e+01 2.22669e+02 273.555 1.13155e+00  -1.82125e+01 0.00000e+00 0.00000e+00 2.53735e+02 273.555 3.10662e+01 273.555 0.9722 
1 1 1 10 13 5  o 16 2.50531e+02 2.53577e+01 1.00366e+02 17.573  4.16200e+00  1.31809e+00  0.00000e+00 0.00000e+00 1.54155e+02 17.573  5.37893e+01 17.573  0.8762 
1 1 1 10 13 6  o 2  4.27983e+02 1.86433e+01 1.74560e+02 79.965  2.29794e+00  1.29865e+01  0.00000e+00 0.00000e+00 3.03772e+02 79.965  1.29213e+02 79.965  0.9613 
1 1 1 10 13 7  o 5  1.14190e+02 1.77678e+01 4.78005e+01 63.378  4.23242e-01  8.44369e-01  0.00000e+00 0.00000e+00 8.99191e+00 63.378  3.88086e+01 243.378 0.4264 
1 1 1 10 13 8  o 1  5.64463e+02 1.72848e+01 1.72290e+02 247.307 -6.89136e+00 -1.64802e+01 0.00000e+00 0.00000e+00 4.69848e+02 247.307 2.97558e+02 247.307 0.9716 
1 1 1 10 13 9  o 5  3.80145e+02 1.48292e+01 1.69735e+02 242.001 -4.17118e+00 -7.84523e+00 0.00000e+00 0.00000e+00 2.51316e+02 242.001 8.15819e+01 242.001 0.9419 
1 1 1 10 13 10 o 3  2.64343e+02 1.71206e+01 4.05176e+01 68.895  5.71881e-01  1.48169e+00  0.00000e+00 0.00000e+00 1.52253e+02 68.895  1.11736e+02 68.895  0.6172 
1 1 1 10 13 11 o 2  1.85854e+02 1.44980e+01 8.29716e+01 87.786  1.08125e-01  2.79689e+00  0.00000e+00 0.00000e+00 9.23018e+01 87.786  9.33023e+00 87.786  0.7940 
1 1 1 10 13 12 o 14 9.20201e+02 2.10033e+01 3.39895e+02 144.266 -4.06002e+01 2.92109e+01  0.00000e+00 0.00000e+00 7.48449e+02 144.266 4.08554e+02 144.266 0.9900 
1 1 1 10 13 13 o 13 5.22725e+02 1.76033e+01 2.88359e+02 194.655 -2.43811e+01 -6.37567e+00 0.00000e+00 0.00000e+00 3.27507e+02 194.655 3.91485e+01 194.655 0.9800 
1 1 1 10 13 14 o 3  5.54476e+02 1.83786e+01 3.14648e+02 321.602 2.26358e+01  -1.79397e+01 0.00000e+00 0.00000e+00 3.44821e+02 321.602 3.01732e+01 321.602 0.9825 
1 1 1 10 13 15 o 17 7.09619e+02 1.79617e+01 3.13563e+02 29.621  4.42926e+01  2.51837e+01  0.00000e+00 0.00000e+00 5.43200e+02 29.621  2.29637e+02 29.621  0.9901 
1 1 1 10 13 16 o 12 1.35343e+02 2.03629e+01 8.95656e+01 103.093 -7.81957e-01 3.36215e+00  0.00000e+00 0.00000e+00 4.99103e+01 103.093 3.96553e+01 283.093 0.8386 
1 1 1 10 13 17 o 10 3.86699e+02 1.52373e+01 2.02112e+02 231.974 -1.28390e+01 -1.64181e+01 0.00000e+00 0.00000e+00 2.65453e+02 231.974 6.33404e+01 231.974 0.9757 
1 1 1 10 13 18 o 2  4.60972e+02 1.79794e+01 1.08256e+02 113.690 -6.13470e+00 1.39819e+01  0.00000e+00 0.00000e+00 4.48851e+02 113.690 3.40595e+02 113.690 0.9667 
1 1 1 10 13 19 o 6  2.21291e+02 1.89687e+01 1.38120e+02 56.832  6.81873e+00  1.04330e+01  0.00000e+00 0.00000e+00 1.29684e+02 56.832  8.43605e+00 236.832 0.9590 
1 1 1 10 13 20 o 7  2.68339e+02 1.81702e+01 1.39551e+02 212.133 -1.22002e+01 -7.66309e+00 0.00000e+00 0.00000e+00 1.90331e+02 212.133 5.07798e+01 212.133 0.9646 
1 1 1 10 13 21 o 18 1.16041e+02 2.73696e+01 3.31429e+01 160.992 -1.55050e+00 5.34128e-01  0.00000e+00 0.00000e+00 6.08222e+01 160.992 2.76793e+01 160.992 0.6289 
1 1 1 10 13 22 o 6  1.33867e+02 2.56276e+01 1.09651e+02 7.902   7.24935e+00  1.00613e+00  0.00000e+00 0.00000e+00 5.22175e+01 7.902   5.74334e+01 187.902 0.9289 
1 1 1 10 13 23 o 2  6.69926e+01 2.77201e+01 2.70132e+01 189.595 -9.75226e-01 -1.64863e-01 0.00000e+00 0.00000e+00 1.20147e+01 189.595 1.49985e+01 9.595   0.4425 
1 1 1 10 13 24 o 1  9.45604e+01 2.89344e+01 4.31998e+01 200.740 -2.25484e+00 -8.53843e-01 0.00000e+00 0.00000e+00 5.19087e+01 200.740 8.70882e+00 200.740 0.7550 
1 1 1 10 13 25 o 12 6.93707e+01 2.75651e+01 4.08640e+01 3.580   1.99490e+00  1.24802e-01  0.00000e+00 0.00000e+00 2.44063e+01 3.580   1.64577e+01 183.580 0.6976 
1 1 1 10 13 26 o 12 5.86633e+01 2.62903e+01 3.72350e+01 343.675 1.87320e+00  -5.48663e-01 0.00000e+00 0.00000e+00 1.80451e+01 343.675 1.91899e+01 163.675 0.6897 
1 1 1 10 13 27 o 12 6.84524e+01 3.02724e+01 3.90630e+01 215.209 -1.81281e+00 -1.27924e+00 0.00000e+00 0.00000e+00 3.01861e+01 215.209 8.87695e+00 35.209  0.7306 
1 1 1 10 13 28 o 16 5.22464e+01 2.42758e+01 4.50839e+01 95.063  -2.30190e-01 2.59814e+00  0.00000e+00 0.00000e+00 1.18587e+01 95.063  3.32252e+01 275.063 0.7763 
1 1 1 10 13 29 o 15 6.53239e+01 2.77451e+01 2.55592e+01 88.145  6.07662e-02  1.87635e+00  0.00000e+00 0.00000e+00 3.73892e+01 88.145  1.18300e+01 88.145  0.6766 
1 1 1 10 13 30 o 18 5.59409e+01 2.56742e+01 4.17453e+01 255.586 -7.87828e-01 -3.06527e+00 0.00000e+00 0.00000e+00 2.46883e+01 255.586 1.70571e+01 75.586  0.8215 
1 1 1 10 13 31 o 19 6.19463e+01 2.76306e+01 9.61963e+00 294.262 3.17896e-01  -7.05317e-01 0.00000e+00 0.00000e+00 2.31648e+01 294.262 1.35452e+01 294.262 0.3605 
1 1 1 10 13 32 o 12 5.28665e+01 2.59698e+01 2.34260e+01 139.669 -1.43740e+00 1.22036e+00  0.00000e+00 0.00000e+00 3.00420e+01 139.669 6.61610e+00 139.669 0.6781 
1 1 1 10 14 0  o 2  1.14676e+02 3.26093e+01 2.44031e+01 0.000   2.45293e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.83123e+00 0.000   1.65719e+01 180.000 0.2405 
1 1 1 10 14 1  o 5  3.85088e+02 1.43874e+01 1.12158e+02 132.930 -5.32785e+00 5.72741e+00  0.00000e+00 0.00000e+00 3.08209e+02 132.930 1.96051e+02 132.930 0.9337 
1 1 1 10 14 2  o 16 3.59060e+02 1.40626e+01 1.98270e+02 292.781 4.97885e+00  -1.18551e+01 0.00000e+00 0.00000e+00 2.05150e+02 292.781 6.87975e+00 292.781 0.9603 
1 1 1 10 14 3  o 6  3.87105e+02 1.44448e+01 1.64737e+02 235.173 -6.52991e+00 -9.38602e+00 0.00000e+00 0.00000e+00 2.68441e+02 235.173 1.03704e+02 235.173 0.9552 
1 1 1 10 14 4  o 6  1.24983e+02 1.65999e+01 6.98324e+01 78.402  3.07462e-01  1.49807e+00  0.00000e+00 0.00000e+00 1.86554e+01 78.402  5.11770e+01 258.402 0.6033 
1 1 1 10 14 5  o 17 2.08571e+02 1.75178e+01 1.43951e+02 52.255  3.17589e+00  4.10240e+00  0.00000e+00 0.00000e+00 7.62443e+01 52.255  6.77072e+01 232.255 0.8976 
1 1 1 10 14 6  o 4  2.66247e+02 1.75857e+01 9.16665e+01 218.120 -3.53170e+00 -2.77120e+00 0.00000e+00 0.00000e+00 1.84688e+02 218.120 9.30216e+01 218.120 0.8800 
1 1 1 10 14 7  o 13 2.23001e+02 1.41466e+01 1.81049e+02 338.389 5.21537e+00  -2.06605e+00 0.00000e+00 0.00000e+00 5.79920e+01 338.389 1.23057e+02 158.389 0.9058 
1 1 1 10 14 8  o 15 2.19038e+02 1.43875e+01 5.52837e+01 320.981 1.28465e+00  -1.04100e+00 0.00000e+00 0.00000e+00 1.09113e+02 320.981 5.38289e+01 320.981 0.6318 
1 1 1 10 14 9  o 14 3.64649e+02 1.48340e+01 2.11043e+02 145.160 -9.36293e+00 6.51707e+00  0.00000e+00 0.00000e+00 2.04437e+02 145.160 6.60641e+00 325.160 0.9551 
1 1 1 10 14 10 o 2  2.29245e+02 1.73307e+01 3.28934e+01 72.051  4.15960e-01  1.28410e+00  0.00000e+00 0.00000e+00 1.20095e+02 72.051  8.72019e+01 72.051  0.5567 
1 1 1 10 14 11 o 16 1.97057e+02 2.69662e+01 1.42583e+02 66.901  1.71225e+00  4.01446e+00  0.00000e+00 0.00000e+00 6.54818e+01 66.901  7.71013e+01 246.901 0.8762 
1 1 1 10 14 12 o 19 5.04836e+02 1.46015e+01 2.87210e+02 80.015  4.24659e+00  2.41198e+01  0.00000e+00 0.00000e+00 3.12051e+02 80.015  2.48409e+01 80.015  0.9794 
1 1 1 10 14 13 o 3  3.75747e+02 1.36986e+01 1.52969e+02 197.561 -1.12110e+01 -3.54786e+00 0.00000e+00 0.00000e+00 2.85392e+02 197.561 1.32423e+02 197.561 0.9565 
1 1 1 10 14 14 o 10 4.92865e+02 1.78828e+01 2.21598e+02 257.828 -5.29750e+00 -2.45591e+01 0.00000e+00 0.00000e+00 3.71494e+02 257.828 1.49895e+02 257.828 0.9799 
1 1 1 10 14 15 o 16 2.68101e+02 1.87537e+01 1.48738e+02 322.525 9.16376e+00  -7.02529e+00 0.00000e+00 0.00000e+00 1.68215e+02 322.525 1.94774e+01 322.525 0.9557 
1 1 1 10 14 16 o 8  3.64170e+02 1.64357e+01 1.37889e+02 20.772  1.25350e+01  4.75451e+00  0.00000e+00 0.00000e+00 2.98872e+02 20.772  1.60983e+02 20.772  0.9619 
1 1 1 10 14 17 o 15 3.17883e+02 1.53938e+01 8.25297e+01 68.581  3.00671e+00  7.66459e+00  0.00000e+00 0.00000e+00 2.91990e+02 68.581  2.09461e+02 68.581  0.9371 
1 1 1 10 14 18 f 0  1.46845e+02 2.13139e+01 8.90004e+01 234.697 -3.03344e+00 -4.28387e+00 0.00000e+00 0.00000e+00 7.84105e+01 234.697 1.05899e+01 54.697  0.8989 
1 1 1 10 14 20 o 7  1.28147e+02 2.59254e+01 7.53037e+01 133.771 -2.87553e+00 3.00157e+00  0.00000e+00 0.00000e+00 6.87187e+01 133.771 6.58498e+00 313.771 0.8693 
1 1 1 10 14 21 o 10 1.35078e+02 2.44770e+01 7.42843e+01 238.910 -2.65923e+00 -4.40993e+00 0.00000e+00 0.00000e+00 8.39496e+01 238.910 9.66529e+00 238.910 0.8967 
1 1 1 10 14 22 o 19 8.16131e+01 2.96380e+01 8.42700e+01 316.185 2.19478e+00  -2.10584e+00 0.00000e+00 0.00000e+00 3.35284e+00 316.185 8.09171e+01 136.185 0.8130 
1 1 1 10 14 23 o 3  9.62000e+01 2.81030e+01 4.84294e+01 68.657  9.80208e-01  2.50849e+00  0.00000e+00 0.00000e+00 5.23656e+01 68.657  3.93617e+00 68.657  0.7845 
1 1 1 10 14 24 o 13 5.62015e+01 2.62327e+01 2.35001e+01 170.143 -9.58553e-01 1.66547e-01  0.00000e+00 0.00000e+00 9.67206e+00 170.143 1.38280e+01 350.143 0.4367 
1 1 1 10 14 25 o 2  7.96749e+01 3.03129e+01 3.54183e+01 260.465 -3.36255e-01 -2.00189e+00 0.00000e+00 0.00000e+00 4.11849e+01 260.465 5.76662e+00 260.465 0.7026 
1 1 1 10 14 26 o 5  5.09152e+01 2.36684e+01 3.36172e+01 108.772 -5.54512e-01 1.63151e+00  0.00000e+00 0.00000e+00 1.20188e+01 108.772 2.15984e+01 288.772 0.6467 
1 1 1 10 14 27 o 7  4.91058e+01 2.31826e+01 2.05432e+01 264.911 -9.77731e-02 -1.09792e+00 0.00000e+00 0.00000e+00 1.26674e+01 264.911 7.87578e+00 84.911  0.4815 
1 1 1 10 14 28 o 9  5.02858e+01 2.35889e+01 8.85221e+00 0.970   5.50585e-01  9.32537e-03  0.00000e+00 0.00000e+00 1.01566e+01 0.970   1.30436e+00 0.970   0.2654 
1 1 1 10 14 29 o 6  5.88935e+01 2.63523e+01 2.33325e+01 275.320 1.47514e-01  -1.58406e+00 0.00000e+00 0.00000e+00 2.92429e+01 275.320 5.91036e+00 275.320 0.6178 
1 1 1 10 14 30 o 19 6.60481e+01 2.84189e+01 1.74192e+01 340.237 1.25227e+00  -4.49931e-01 0.00000e+00 0.00000e+00 3.59931e+01 340.237 1.85740e+01 340.237 0.5514 
1 1 1 10 14 31 o 5  6.45357e+01 2.81374e+01 2.79143e+01 103.699 -5.43381e-01 2.22928e+00  0.00000e+00 0.00000e+00 4.32767e+01 103.699 1.53624e+01 103.699 0.7407 
1 1 1 10 14 32 o 17 5.45273e+01 2.67006e+01 1.93859e+01 230.487 -9.71546e-01 -1.17802e+00 0.00000e+00 0.00000e+00 3.03459e+01 230.487 1.09599e+01 230.487 0.6027 
1 1 1 10 15 0  o 16 4.10899e+02 1.83000e+01 1.32892e+02 0.000   5.15064e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.54829e+02 0.000   2.21938e+02 0.000   0.9999 
1 1 1 10 15 1  o 1  1.64151e+02 1.46628e+01 9.13091e+01 336.821 2.58258e+00  -1.10575e+00 0.00000e+00 0.00000e+00 6.36073e+01 336.821 2.77019e+01 156.821 0.7948 
1 1 1 10 15 2  o 5  2.53750e+02 1.36461e+01 1.49340e+02 208.385 -6.24708e+00 -3.37562e+00 0.00000e+00 0.00000e+00 1.30056e+02 208.385 1.92839e+01 28.385  0.9266 
1 1 1 10 15 3  o 8  3.03512e+02 1.37613e+01 9.85240e+01 221.589 -4.16524e+00 -3.69663e+00 0.00000e+00 0.00000e+00 2.28306e+02 221.589 1.29782e+02 221.589 0.9051 
1 1 1 10 15 4  o 11 5.84124e+02 2.16753e+01 3.23158e+02 90.345  -1.55237e-01 2.58137e+01  0.00000e+00 0.00000e+00 3.59403e+02 90.345  3.62454e+01 90.345  0.9804 
1 1 1 10 15 5  o 9  6.19733e+02 2.26513e+01 2.96726e+02 117.491 -1.14531e+01 2.20098e+01  0.00000e+00 0.00000e+00 4.28498e+02 117.491 1.31771e+02 117.491 0.9796 
1 1 1 10 15 6  o 6  9.02398e+02 2.39300e+01 4.23889e+02 266.259 -3.65466e+00 -5.58981e+01 0.00000e+00 0.00000e+00 6.47369e+02 266.259 2.23479e+02 266.259 0.9910 
1 1 1 10 15 7  o 12 6.36093e+02 1.86627e+01 3.36175e+02 295.146 1.33867e+01  -2.85184e+01 0.00000e+00 0.00000e+00 4.16048e+02 295.146 7.98729e+01 295.146 0.9840 
1 1 1 10 15 8  o 5  6.46170e+02 1.88683e+01 2.71935e+02 73.376  9.02720e+00  3.02345e+01  0.00000e+00 0.00000e+00 4.95121e+02 73.376  2.23186e+02 73.376  0.9840 
1 1 1 10 15 9  f 0  3.09406e+02 1.73368e+01 2.02352e+02 102.015 -2.13657e+00 1.00386e+01  0.00000e+00 0.00000e+00 1.53745e+02 102.015 4.86070e+01 282.015 0.9500 
1 1 1 10 15 10 o 8  1.15911e+02 2.32313e+01 7.40273e+01 28.041  1.25798e+00  6.70026e-01  0.00000e+00 0.00000e+00 7.40632e+00 28.041  6.66210e+01 208.041 0.5771 
1 1 1 10 15 11 o 7  2.20962e+02 1.60819e+01 1.03486e+02 149.963 -3.37839e+00 1.95346e+00  0.00000e+00 0.00000e+00 1.28982e+02 149.963 2.54956e+01 149.963 0.8597 
1 1 1 10 15 12 o 2  1.75329e+02 1.50222e+01 1.56122e+02 278.175 7.91897e-01  -5.51221e+00 0.00000e+00 0.00000e+00 3.92141e+01 278.175 1.16907e+02 98.175  0.9051 
1 1 1 10 15 13 o 17 8.93876e+02 2.08979e+01 2.43877e+02 305.397 2.85991e+01  -4.02480e+01 0.00000e+00 0.00000e+00 8.52115e+02 305.397 6.08238e+02 305.397 0.9898 
1 1 1 10 15 14 o 16 4.05400e+02 1.73427e+01 1.85984e+02 88.129  7.21345e-01  2.20826e+01  0.00000e+00 0.00000e+00 3.08047e+02 88.129  1.22063e+02 88.129  0.9771 
1 1 1 10 15 15 o 10 1.68463e+02 2.43386e+01 9.86178e+01 163.574 -4.05384e+00 1.19510e+00  0.00000e+00 0.00000e+00 8.58737e+01 163.574 1.27441e+01 343.574 0.8717 
1 1 1 10 15 16 o 15 5.28634e+02 1.84176e+01 2.37750e+02 218.607 -3.03895e+01 -2.42654e+01 0.00000e+00 0.00000e+00 4.22942e+02 218.607 1.85192e+02 218.607 0.9871 
1 1 1 10 15 17 o 6  1.90107e+02 1.90245e+01 8.25555e+01 76.147  1.55604e+00  6.30998e+00  0.00000e+00 0.00000e+00 1.40623e+02 76.147  5.80679e+01 76.147  0.9195 
1 1 1 10 15 18 o 7  5.74592e+02 2.29727e+01 2.24532e+02 21.105  4.60465e+01  1.77725e+01  0.00000e+00 0.00000e+00 5.08062e+02 21.105  2.83530e+02 21.105  0.9898 
1 1 1 10 15 19 o 19 1.54749e+02 4.41600e+01 1.46521e+02 210.255 -6.24723e+00 -3.64397e+00 0.00000e+00 0.00000e+00 4.02009e+01 210.255 1.06320e+02 30.255  0.9280 
1 1 1 10 15 20 o 1  1.01327e+02 2.86003e+01 6.50482e+01 48.205  2.03551e+00  2.27699e+00  0.00000e+00 0.00000e+00 4.32388e+01 48.205  2.18095e+01 228.205 0.8139 
1 1 1 10 15 21 o 16 1.33940e+02 3.32587e+01 1.15615e+02 27.127  5.49909e+00  2.81725e+00  0.00000e+00 0.00000e+00 4.69837e+01 27.127  6.86312e+01 207.127 0.9151 
1 1 1 10 15 22 f 0  6.94089e+01 3.15929e+01 8.36316e+01 183.908 -3.11979e+00 -2.13099e-01 0.00000e+00 0.00000e+00 7.39775e+00 3.908   9.10293e+01 3.908   0.8190 
1 1 1 10 15 23 o 6  1.34434e+02 2.41823e+01 4.30941e+01 163.206 -3.88501e+00 1.17252e+00  0.00000e+00 0.00000e+00 1.14772e+02 163.206 7.16775e+01 163.206 0.8657 
1 1 1 10 15 24 o 18 9.78672e+01 2.93284e+01 5.12753e+01 288.387 1.13016e+00  -3.39999e+00 0.00000e+00 0.00000e+00 6.22795e+01 288.387 1.10042e+01 288.387 0.8453 
1 1 1 10 15 25 o 19 5.99843e+01 2.62517e+01 2.96752e+00 168.610 -1.66192e-01 3.34798e-02  0.00000e+00 0.00000e+00 4.07317e+00 168.610 1.10565e+00 168.610 0.0845 
1 1 1 10 15 26 o 15 4.34077e+01 2.10267e+01 2.54153e+01 138.382 -9.40750e-01 8.35752e-01  0.00000e+00 0.00000e+00 6.99952e+00 138.382 1.84157e+01 318.382 0.5305 
1 1 1 10 15 27 o 1  9.47617e+01 3.05528e+01 5.47979e+01 47.188  3.06801e+00  3.31171e+00  0.00000e+00 0.00000e+00 6.42691e+01 47.188  9.47119e+00 47.188  0.8808 
1 1 1 10 15 28 o 10 6.81529e+01 2.82477e+01 1.31973e+01 153.773 -8.68417e-01 4.27829e-01  0.00000e+00 0.00000e+00 2.96839e+01 153.773 1.64866e+01 153.773 0.4350 
1 1 1 10 15 29 o 12 4.85040e+01 2.30800e+01 5.03819e+01 231.775 -2.32928e+00 -2.95732e+00 0.00000e+00 0.00000e+00 1.03910e+01 231.775 3.99909e+01 51.775  0.8538 
1 1 1 10 15 30 o 14 5.12429e+01 2.41940e+01 1.40441e+01 355.279 1.11517e+00  -9.20938e-02 0.00000e+00 0.00000e+00 2.31227e+01 355.279 9.07856e+00 355.279 0.4870 
1 1 1 10 15 31 o 14 6.34734e+01 2.79139e+01 1.58960e+01 80.390  2.27282e-01  1.34238e+00  0.00000e+00 0.00000e+00 3.78663e+01 80.390  2.19704e+01 80.390  0.5600 
1 1 1 10 16 1  o 14 1.19375e+02 1.75357e+01 3.28525e+01 276.779 6.98444e-02  -5.87592e-01 0.00000e+00 0.00000e+00 8.01838e+00 276.779 2.48341e+01 96.779  0.2836 
1 1 1 10 16 2  o 1  4.10182e+01 1.80668e+01 8.57917e+01 192.821 -5.15167e-01 -1.17244e-01 0.00000e+00 0.00000e+00 7.31381e+01 12.821  1.58930e+02 12.821  0.2554 
1 1 1 10 16 3  o 19 5.25494e+02 2.04281e+01 2.24313e+02 33.265  1.45989e+01  9.57694e+00  0.00000e+00 0.00000e+00 3.92826e+02 33.265  1.68513e+02 33.265  0.9709 
1 1 1 10 16 4  o 13 1.63221e+02 1.96085e+01 7.05034e+01 238.284 -8.92136e-01 -1.44358e+00 0.00000e+00 0.00000e+00 5.63092e+01 238.284 1.41942e+01 58.284  0.6412 
1 1 1 10 16 5  o 14 2.77736e+02 1.78441e+01 8.92414e+01 83.987  4.73023e-01  4.49063e+00  0.00000e+00 0.00000e+00 2.07845e+02 83.987  1.18603e+02 83.987  0.8808 
1 1 1 10 16 6  o 19 3.87881e+02 1.30100e+01 1.21938e+02 33.965  7.18476e+00  4.83988e+00  0.00000e+00 0.00000e+00 3.22270e+02 33.965  2.00332e+02 33.965  0.9404 
1 1 1 10 16 7  o 18 1.81953e+02 1.60994e+01 2.16627e+01 166.419 -6.32847e-01 1.52876e-01  0.00000e+00 0.00000e+00 4.71246e+01 166.419 2.54619e+01 166.419 0.3094 
1 1 1 10 16 8  o 5  3.86058e+02 1.51948e+01 1.26206e+02 162.977 -8.04757e+00 2.46387e+00  0.00000e+00 0.00000e+00 3.18188e+02 162.977 1.91983e+02 162.977 0.9386 
1 1 1 10 16 9  o 10 4.46837e+02 1.92787e+01 1.79045e+02 247.040 -5.32171e+00 -1.25613e+01 0.00000e+00 0.00000e+00 3.50763e+02 247.040 1.71718e+02 247.040 0.9626 
1 1 1 10 16 10 o 2  5.52686e+02 1.76596e+01 2.32180e+02 37.540  2.07737e+01  1.59632e+01  0.00000e+00 0.00000e+00 4.38662e+02 37.540  2.06482e+02 37.540  0.9807 
1 1 1 10 16 11 o 14 3.12504e+02 1.60367e+01 8.45873e+01 33.491  5.21192e+00  3.44851e+00  0.00000e+00 0.00000e+00 2.71600e+02 33.491  1.87013e+02 33.491  0.9161 
1 1 1 10 16 12 o 7  8.58062e+02 2.37155e+01 2.82442e+02 239.551 -3.02814e+01 -5.15122e+01 0.00000e+00 0.00000e+00 7.82356e+02 239.551 4.99914e+02 239.551 0.9916 
1 1 1 10 16 13 o 12 1.94592e+02 1.74089e+01 9.91448e+01 225.095 -3.98873e+00 -4.00194e+00 0.00000e+00 0.00000e+00 1.23018e+02 225.095 2.38734e+01 225.095 0.9066 
1 1 1 10 16 14 o 8  2.26427e+02 1.95642e+01 1.43864e+02 48.921  6.44989e+00  7.39925e+00  0.00000e+00 0.00000e+00 1.28196e+02 48.921  1.56676e+01 228.921 0.9476 
1 1 1 10 16 15 o 15 5.07795e+02 1.90017e+01 2.70093e+02 86.729  2.41858e+00  4.23202e+01  0.00000e+00 0.00000e+00 3.70804e+02 86.729  1.00712e+02 86.729  0.9881 
1 1 1 10 16 16 o 11 8.98619e+01 2.54751e+01 3.43861e+01 190.818 -1.17216e+00 -2.23986e-01 0.00000e+00 0.00000e+00 2.46941e+01 190.818 9.69199e+00 10.818  0.5107 
1 1 1 10 16 17 o 3  1.79916e+02 1.79066e+01 6.57445e+01 286.853 1.39059e+00  -4.59039e+00 0.00000e+00 0.00000e+00 1.41742e+02 286.853 7.59975e+01 286.853 0.8884 
1 1 1 10 16 18 o 11 1.80557e+02 3.27278e+01 1.26313e+02 121.583 -4.67831e+00 7.60947e+00  0.00000e+00 0.00000e+00 9.64808e+01 121.583 2.98319e+01 301.583 0.9422 
1 1 1 10 16 19 o 10 1.47083e+02 2.53325e+01 1.12467e+02 262.992 -9.94300e-01 -8.08806e+00 0.00000e+00 0.00000e+00 6.96013e+01 262.992 4.28658e+01 82.992  0.9365 
1 1 1 10 16 20 o 16 2.24747e+02 2.92440e+01 1.23159e+02 305.380 6.89335e+00  -9.70703e+00 0.00000e+00 0.00000e+00 1.63968e+02 305.380 4.08088e+01 305.380 0.9570 
1 1 1 10 16 21 o 16 9.76780e+01 2.90388e+01 1.07730e+02 29.548  4.88688e+00  2.77031e+00  0.00000e+00 0.00000e+00 1.16281e+01 29.548  9.61021e+01 209.548 0.9060 
1 1 1 10 16 22 o 15 1.28240e+02 2.84438e+01 4.47770e+01 106.397 -9.71284e-01 3.30083e+00  0.00000e+00 0.00000e+00 1.01742e+02 106.397 5.69645e+01 106.397 0.8379 
1 1 1 10 16 23 o 15 6.24446e+01 2.62480e+01 4.05970e+01 175.190 -1.98102e+00 1.66707e-01  0.00000e+00 0.00000e+00 1.93208e+01 175.190 2.12762e+01 355.190 0.6958 
1 1 1 10 16 24 o 6  1.22725e+02 2.75630e+01 4.42847e+01 298.211 2.20804e+00  -4.11609e+00 0.00000e+00 0.00000e+00 1.07306e+02 298.211 6.30217e+01 298.211 0.8851 
1 1 1 10 16 25 o 12 8.93735e+01 3.01785e+01 4.49076e+01 94.849  -2.82431e-01 3.32892e+00  0.00000e+00 0.00000e+00 6.01920e+01 94.849  1.52843e+01 94.849  0.8323 
1 1 1 10 16 26 o 6  5.86618e+01 2.60350e+01 1.80783e+00 206.214 -9.54549e-02 -4.69982e-02 0.00000e+00 0.00000e+00 2.65203e+00 206.214 8.44204e-01 206.214 0.0531 
1 1 1 10 16 27 o 1  5.62818e+01 2.53066e+01 3.03786e+01 273.088 1.15559e-01  -2.14172e+00 0.00000e+00 0.00000e+00 2.84099e+01 273.088 1.96868e+00 93.088  0.7202 
1 1 1 10 16 28 o 14 5.61322e+01 2.53474e+01 3.33954e+01 349.770 2.34525e+00  -4.23257e-01 0.00000e+00 0.00000e+00 2.86545e+01 349.770 4.74090e+00 169.770 0.7517 
1 1 1 10 16 29 o 3  6.40748e+01 2.77934e+01 8.42437e+00 210.735 -5.97373e-01 -3.55189e-01 0.00000e+00 0.00000e+00 2.29379e+01 210.735 1.45136e+01 210.735 0.3281 
1 1 1 10 16 30 o 4  4.93863e+01 2.35215e+01 1.87379e+01 103.278 -3.56872e-01 1.51230e+00  0.00000e+00 0.00000e+00 2.68185e+01 103.278 8.08064e+00 103.278 0.6092 
1 1 1 10 17 1  o 15 6.54528e+02 1.88497e+01 3.16388e+02 186.867 -3.42211e+01 -4.12106e+00 0.00000e+00 0.00000e+00 4.75982e+02 186.867 1.59595e+02 186.867 0.9854 
1 1 1 10 17 2  o 6  7.79112e+01 2.22918e+01 8.90982e+01 346.060 1.10213e+00  -2.73559e-01 0.00000e+00 0.00000e+00 4.19341e+01 166.060 1.31032e+02 166.060 0.4924 
1 1 1 10 17 3  o 18 1.23980e+02 1.81600e+01 5.38843e+01 64.803  4.70878e-01  1.00079e+00  0.00000e+00 0.00000e+00 1.97870e+01 64.803  3.40973e+01 244.803 0.4827 
1 1 1 10 17 4  o 16 4.75374e+02 1.97420e+01 1.62239e+02 252.704 -3.74737e+00 -1.20348e+01 0.00000e+00 0.00000e+00 4.00238e+02 252.704 2.37999e+02 252.704 0.9595 
1 1 1 10 17 5  o 8  8.32636e+02 2.77951e+01 2.82572e+02 329.842 3.34894e+01  -1.94587e+01 0.00000e+00 0.00000e+00 7.33200e+02 329.842 4.50629e+02 329.842 0.9870 
1 1 1 10 17 6  o 11 9.29411e+01 2.32065e+01 4.12146e+01 285.404 1.69832e-01  -6.16415e-01 0.00000e+00 0.00000e+00 6.14979e+00 105.404 4.73644e+01 105.404 0.3044 
1 1 1 10 17 7  o 9  1.09561e+03 2.83492e+01 4.64760e+02 128.322 -5.15736e+01 6.52522e+01  0.00000e+00 0.00000e+00 8.89432e+02 128.322 4.24672e+02 128.322 0.9940 
1 1 1 10 17 8  o 17 3.28461e+02 1.52902e+01 1.69248e+02 70.870  3.77806e+00  1.08919e+01  0.00000e+00 0.00000e+00 2.22539e+02 70.870  5.32907e+01 70.870  0.9556 
1 1 1 10 17 9  o 8  7.69534e+02 2.63392e+01 3.04444e+02 294.318 2.16066e+01  -4.78142e+01 0.00000e+00 0.00000e+00 6.50997e+02 294.318 3.46553e+02 294.318 0.9904 
1 1 1 10 17 10 o 2  5.43615e+02 2.26154e+01 2.53680e+02 177.059 -3.46221e+01 1.77856e+00  0.00000e+00 0.00000e+00 4.21113e+02 177.059 1.67432e+02 177.059 0.9855 
1 1 1 10 17 11 f 0  1.08345e+02 2.51899e+01 4.92519e+01 348.711 1.46430e+00  -2.92303e-01 0.00000e+00 0.00000e+00 3.23044e+01 348.711 1.69475e+01 168.711 0.5944 
1 1 1 10 17 12 o 8  5.25494e+02 1.82952e+01 2.48979e+02 338.281 3.28761e+01  -1.30958e+01 0.00000e+00 0.00000e+00 4.10798e+02 338.281 1.61820e+02 338.281 0.9858 
1 1 1 10 17 13 o 10 3.23320e+02 2.24902e+01 1.25521e+02 140.360 -9.18804e+00 7.61169e+00  0.00000e+00 0.00000e+00 2.71118e+02 140.360 1.45598e+02 140.360 0.9571 
1 1 1 10 17 14 o 15 1.48920e+02 2.49290e+01 1.00124e+02 87.865  2.04495e-01  5.48466e+00  0.00000e+00 0.00000e+00 7.35270e+01 87.865  2.65974e+01 267.865 0.9036 
1 1 1 10 17 15 o 6  1.25948e+02 3.03166e+01 1.99221e+01 273.449 5.46460e-02  -9.06751e-01 0.00000e+00 0.00000e+00 4.76951e+01 273.449 2.77730e+01 273.449 0.4130 
1 1 1 10 17 16 o 3  1.72766e+02 3.58054e+01 1.23091e+02 31.372  5.76158e+00  3.51308e+00  0.00000e+00 0.00000e+00 8.57407e+01 31.372  3.73502e+01 211.372 0.9226 
1 1 1 10 17 17 o 19 5.67989e+01 2.36093e+01 7.85575e+01 33.154  1.69127e+00  1.10482e+00  0.00000e+00 0.00000e+00 2.59525e+01 213.154 1.04510e+02 213.154 0.7011 
1 1 1 10 17 18 o 16 1.42352e+02 2.96930e+01 1.15305e+02 216.530 -6.04592e+00 -4.47859e+00 0.00000e+00 0.00000e+00 6.13238e+01 216.530 5.39808e+01 36.530  0.9310 
1 1 1 10 17 19 o 8  8.13697e+01 2.64198e+01 3.25281e+01 68.558  4.38065e-01  1.11543e+00  0.00000e+00 0.00000e+00 2.35491e+01 68.558  8.97896e+00 248.558 0.5123 
1 1 1 10 17 20 o 1  7.45407e+01 2.72672e+01 9.41634e+00 283.940 9.40867e-02  -3.79049e-01 0.00000e+00 0.00000e+00 9.99172e+00 283.940 5.75381e-01 283.940 0.1916 
1 1 1 10 17 21 o 17 1.39663e+02 3.04363e+01 8.00097e+01 165.961 -6.22472e+00 1.55653e+00  0.00000e+00 0.00000e+00 9.60596e+01 165.961 1.60498e+01 165.961 0.9184 
1 1 1 10 17 22 o 17 8.85734e+01 2.81744e+01 3.09366e+01 336.274 1.75489e+00  -7.71286e-01 0.00000e+00 0.00000e+00 5.30916e+01 336.274 2.21550e+01 336.274 0.6836 
1 1 1 10 17 23 o 17 6.38971e+01 2.66245e+01 4.87705e+01 281.031 5.30750e-01  -2.72257e+00 0.00000e+00 0.00000e+00 2.22359e+01 281.031 2.65346e+01 101.031 0.7918 
1 1 1 10 17 24 o 4  4.77140e+01 2.26656e+01 8.86499e+00 16.084  4.24212e-01  1.22310e-01  0.00000e+00 0.00000e+00 5.74111e+00 16.084  3.12388e+00 196.084 0.2155 
1 1 1 10 17 25 o 18 5.45359e+01 2.45223e+01 3.67144e+01 56.240  1.18677e+00  1.77547e+00  0.00000e+00 0.00000e+00 1.96547e+01 56.240  1.70597e+01 236.240 0.7188 
1 1 1 10 17 26 o 11 5.42011e+01 2.47013e+01 1.49981e+01 38.101  7.55142e-01  5.92118e-01  0.00000e+00 0.00000e+00 1.90978e+01 38.101  4.09968e+00 38.101  0.4319 
1 1 1 10 17 27 o 13 9.49429e+01 3.09033e+01 4.25572e+01 214.708 -3.13868e+00 -2.17401e+00 0.00000e+00 0.00000e+00 7.74292e+01 214.708 3.48720e+01 214.708 0.8561 
1 1 1 10 17 28 o 18 6.59209e+01 2.79700e+01 3.62774e+01 170.318 -2.76987e+00 4.72584e-01  0.00000e+00 0.00000e+00 4.21512e+01 170.318 5.87379e+00 170.318 0.7949 
1 1 1 10 17 29 o 19 8.28984e+01 3.05877e+01 1.76803e+01 355.369 1.62168e+00  -1.31358e-01 0.00000e+00 0.00000e+00 6.11158e+01 355.369 4.34356e+01 355.369 0.6260 
1 1 1 10 17 30 o 8  4.58646e+01 2.22825e+01 2.41396e+01 0.285   2.08322e+00  1.03471e-02  0.00000e+00 0.00000e+00 2.61163e+01 0.285   1.97668e+00 0.285   0.7110 
1 1 1 10 18 0  o 15 2.04159e+02 1.91852e+01 1.04563e+02 180.000 -1.89101e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.39538e+02 180.000 3.49751e+01 180.000 0.9555 
1 1 1 10 18 1  o 17 1.99846e+02 1.52046e+01 1.79070e+02 204.083 -5.75271e+00 -2.57129e+00 0.00000e+00 0.00000e+00 5.02632e+01 204.083 1.28807e+02 24.083  0.9168 
1 1 1 10 18 2  o 5  1.23228e+02 1.87299e+01 7.80362e+01 327.591 1.40699e+00  -8.93205e-01 0.00000e+00 0.00000e+00 1.99352e+01 327.591 5.81010e+01 147.591 0.6347 
1 1 1 10 18 3  o 13 1.51417e+02 2.06413e+01 9.74005e+01 129.631 -1.60974e+00 1.94367e+00  0.00000e+00 0.00000e+00 4.83651e+01 129.631 4.90355e+01 309.631 0.7676 
1 1 1 10 18 4  f 0  3.60402e+02 1.82283e+01 1.83543e+02 80.621  1.85169e+00  1.12103e+01  0.00000e+00 0.00000e+00 2.48869e+02 80.621  6.53269e+01 80.621  0.9549 
1 1 1 10 18 5  o 2  5.45450e+01 2.21186e+01 2.70772e+01 319.945 2.28370e-01  -1.91996e-01 0.00000e+00 0.00000e+00 1.69429e+01 139.945 4.40201e+01 139.945 0.1475 
1 1 1 10 18 6  o 8  3.67250e+02 1.94871e+01 1.82956e+02 279.176 2.17409e+00  -1.34593e+01 0.00000e+00 0.00000e+00 2.63458e+02 279.176 8.05027e+01 279.176 0.9626 
1 1 1 10 18 7  o 19 9.94820e+01 2.46148e+01 5.11282e+01 63.196  5.20181e-01  1.02961e+00  0.00000e+00 0.00000e+00 1.16582e+01 63.196  3.94700e+01 243.196 0.4982 
1 1 1 10 18 8  o 1  3.20629e+02 1.79654e+01 1.06739e+02 104.651 -2.25220e+00 8.61485e+00  0.00000e+00 0.00000e+00 2.77388e+02 104.651 1.70650e+02 104.651 0.9421 
1 1 1 10 18 9  o 9  3.04204e+02 1.79525e+01 1.30097e+02 26.850  1.05345e+01  5.33293e+00  0.00000e+00 0.00000e+00 2.41597e+02 26.850  1.11500e+02 26.850  0.9567 
1 1 1 10 18 10 o 2  2.85900e+02 1.62301e+01 1.56141e+02 279.094 1.95265e+00  -1.21986e+01 0.00000e+00 0.00000e+00 1.95587e+02 279.094 3.94459e+01 279.094 0.9586 
1 1 1 10 18 11 o 14 4.17108e+02 2.20352e+01 1.48950e+02 232.363 -1.13366e+01 -1.47012e+01 0.00000e+00 0.00000e+00 3.74481e+02 232.363 2.25531e+02 232.363 0.9727 
1 1 1 10 18 12 o 3  1.69347e+02 2.11291e+01 1.24587e+02 72.222  1.98848e+00  6.20160e+00  0.00000e+00 0.00000e+00 7.75099e+01 72.222  4.70770e+01 252.222 0.9197 
1 1 1 10 18 13 o 2  2.19414e+02 1.89864e+01 7.20012e+01 107.271 -1.83678e+00 5.90789e+00  0.00000e+00 0.00000e+00 1.90217e+02 107.271 1.18216e+02 107.271 0.9152 
1 1 1 10 18 14 f 0  1.95899e+02 2.09636e+01 4.58669e+01 196.414 -3.46385e+00 -1.02038e+00 0.00000e+00 0.00000e+00 1.72212e+02 196.414 1.26345e+02 196.414 0.8467 
1 1 1 10 18 15 o 7  1.24871e+02 3.69258e+01 1.23675e+02 335.629 4.38383e+00  -1.98596e+00 0.00000e+00 0.00000e+00 2.33251e+01 335.629 1.00350e+02 155.629 0.8888 
1 1 1 10 18 16 o 11 7.18768e+01 2.95092e+01 4.50206e+01 113.932 -5.54280e-01 1.24890e+00  0.00000e+00 0.00000e+00 8.83433e+00 113.932 3.61863e+01 293.932 0.5613 
1 1 1 10 18 17 o 16 1.49506e+02 2.89169e+01 8.87371e+01 148.389 -5.25953e+00 3.23708e+00  0.00000e+00 0.00000e+00 9.53926e+01 148.389 6.65552e+00 148.389 0.9150 
1 1 1 10 18 18 o 17 1.75700e+02 1.83386e+01 1.33980e+02 310.150 7.76020e+00  -9.19922e+00 0.00000e+00 0.00000e+00 9.44676e+01 310.150 3.95128e+01 130.150 0.9575 
1 1 1 10 18 19 o 1  1.24646e+02 2.23924e+01 3.40956e+01 344.492 2.51897e+00  -6.98945e-01 0.00000e+00 0.00000e+00 9.86276e+01 344.492 6.45320e+01 344.492 0.7769 
1 1 1 10 18 20 o 1  1.38210e+02 3.73128e+01 1.54426e+02 89.431  1.02859e-01  1.03624e+01  0.00000e+00 0.00000e+00 2.74037e+01 89.431  1.27022e+02 269.431 0.9505 
1 1 1 10 18 21 o 11 9.31306e+01 3.24423e+01 4.84206e+01 168.279 -2.74898e+00 5.70315e-01  0.00000e+00 0.00000e+00 5.50869e+01 168.279 6.66629e+00 168.279 0.7947 
1 1 1 10 18 22 o 13 1.15551e+02 3.33074e+01 7.62640e+01 279.130 9.17206e-01  -5.70725e+00 0.00000e+00 0.00000e+00 7.22067e+01 279.130 4.05724e+00 99.130  0.9088 
1 1 1 10 18 23 o 19 5.69347e+01 2.49692e+01 8.85661e+00 9.801   4.81276e-01  8.31401e-02  0.00000e+00 0.00000e+00 1.04548e+01 9.801   1.59816e+00 9.801   0.2372 
1 1 1 10 18 24 o 4  4.85733e+01 2.29670e+01 1.76215e+01 120.259 -4.78263e-01 8.19790e-01  0.00000e+00 0.00000e+00 1.24653e+01 120.259 5.15625e+00 300.259 0.4281 
1 1 1 10 18 25 o 7  6.49244e+01 2.72065e+01 3.27528e+00 294.306 9.31033e-02  -2.06146e-01 0.00000e+00 0.00000e+00 7.41368e+00 294.306 4.13840e+00 294.306 0.1124 
1 1 1 10 18 26 o 7  6.29967e+01 2.63953e+01 2.41423e+01 309.196 1.11603e+00  -1.36857e+00 0.00000e+00 0.00000e+00 3.71219e+01 309.196 1.29796e+01 309.196 0.6553 
1 1 1 10 18 27 o 12 5.39527e+01 2.46247e+01 2.87892e+01 342.406 2.09036e+00  -6.62844e-01 0.00000e+00 0.00000e+00 3.02039e+01 342.406 1.41466e+00 342.406 0.7270 
1 1 1 10 18 28 f 0  4.65233e+01 2.22580e+01 1.65617e+01 134.994 -9.39363e-01 9.39570e-01  0.00000e+00 0.00000e+00 2.25162e+01 134.994 5.95452e+00 134.994 0.5508 
1 1 1 10 18 29 o 14 4.23953e+01 2.07677e+01 8.59923e+00 169.096 -7.43346e-01 1.43204e-01  0.00000e+00 0.00000e+00 1.46019e+01 169.096 6.00264e+00 169.096 0.3538 
1 1 1 10 19 0  o 14 8.58352e+01 3.28503e+01 8.09038e+01 180.000 -8.05319e-01 0.00000e+00  0.00000e+00 0.00000e+00 7.83258e+00 0.000   8.87364e+01 0.000   0.6670 
1 1 1 10 19 1  o 14 8.89510e+01 2.40032e+01 3.54478e+01 142.169 -5.74022e-01 4.45754e-01  0.00000e+00 0.00000e+00 3.31280e+00 142.169 3.21350e+01 322.169 0.3413 
1 1 1 10 19 2  o 8  2.04600e+02 1.53733e+01 1.57443e+02 75.271  1.98201e+00  7.53939e+00  0.00000e+00 0.00000e+00 8.65609e+01 75.271  7.08819e+01 255.271 0.9335 
1 1 1 10 19 3  o 4  1.54518e+02 2.15926e+01 9.14592e+01 307.556 2.00473e+00  -2.60736e+00 0.00000e+00 0.00000e+00 7.24546e+01 307.556 1.90046e+01 127.556 0.8293 
1 1 1 10 19 4  o 5  3.39256e+02 1.85854e+01 2.12826e+02 298.872 9.14926e+00  -1.65928e+01 0.00000e+00 0.00000e+00 2.10288e+02 298.872 2.53786e+00 118.872 0.9732 
1 1 1 10 19 5  o 7  3.14571e+02 1.50634e+01 9.93808e+01 66.451  3.31973e+00  7.61696e+00  0.00000e+00 0.00000e+00 2.79492e+02 66.451  1.80111e+02 66.451  0.9377 
1 1 1 10 19 6  o 19 8.27625e+02 2.27862e+01 3.30170e+02 124.453 -4.48594e+01 6.53856e+01  0.00000e+00 0.00000e+00 7.29024e+02 124.453 3.98854e+02 124.453 0.9937 
1 1 1 10 19 7  o 15 2.63824e+02 1.58085e+01 1.15024e+02 282.672 2.01339e+00  -8.95425e+00 0.00000e+00 0.00000e+00 2.06738e+02 282.672 9.17137e+01 282.672 0.9438 
1 1 1 10 19 9  o 10 1.15762e+02 2.28034e+01 5.43892e+01 68.377  6.92356e-01  1.74667e+00  0.00000e+00 0.00000e+00 4.76768e+01 68.377  6.71235e+00 248.377 0.6768 
1 1 1 10 19 10 o 19 2.11270e+02 1.75845e+01 9.96360e+01 336.822 6.19631e+00  -2.65292e+00 0.00000e+00 0.00000e+00 1.55468e+02 336.822 5.58317e+01 336.822 0.9225 
1 1 1 10 19 11 o 7  2.75638e+02 1.67099e+01 8.17188e+01 174.501 -9.06874e+00 8.73131e-01  0.00000e+00 0.00000e+00 2.60454e+02 174.501 1.78736e+02 174.501 0.9434 
1 1 1 10 19 12 o 1  2.95648e+02 1.70581e+01 1.88137e+02 110.681 -8.45713e+00 2.24042e+01  0.00000e+00 0.00000e+00 1.94896e+02 110.681 6.75945e+00 110.681 0.9789 
1 1 1 10 19 13 o 6  1.51041e+02 2.28140e+01 4.55782e+01 24.684  2.45375e+00  1.12775e+00  0.00000e+00 0.00000e+00 1.12369e+02 24.684  6.67908e+01 24.684  0.7852 
1 1 1 10 19 14 o 13 2.95024e+02 2.45139e+01 1.36636e+02 301.971 9.70092e+00  -1.55422e+01 0.00000e+00 0.00000e+00 2.48030e+02 301.971 1.11394e+02 301.971 0.9723 
1 1 1 10 19 15 o 19 1.48644e+02 2.61528e+01 4.10960e+01 65.489  1.12852e+00  2.47510e+00  0.00000e+00 0.00000e+00 1.16921e+02 65.489  7.58250e+01 65.489  0.7870 
1 1 1 10 19 16 o 10 9.23526e+01 3.08206e+01 1.54682e+00 181.097 -6.65214e-02 -1.27388e-03 0.00000e+00 0.00000e+00 2.63352e+00 181.097 1.08670e+00 181.097 0.0332 
1 1 1 10 19 17 o 8  6.05581e+01 2.42986e+01 2.04694e+01 146.022 -5.09858e-01 3.43621e-01  0.00000e+00 0.00000e+00 3.95152e+00 146.022 1.65179e+01 326.022 0.2938 
1 1 1 10 19 18 o 1  9.97227e+01 2.45102e+01 5.53450e+01 63.152  1.47460e+00  2.91312e+00  0.00000e+00 0.00000e+00 5.89875e+01 63.152  3.64244e+00 63.152  0.8278 
1 1 1 10 19 19 o 2  8.87149e+01 2.59925e+01 3.53835e+01 357.922 2.01041e+00  -7.29572e-02 0.00000e+00 0.00000e+00 5.13916e+01 357.922 1.60081e+01 357.922 0.6997 
1 1 1 10 19 20 o 3  9.21956e+01 2.94638e+01 4.33658e+01 174.537 -2.69673e+00 2.57928e-01  0.00000e+00 0.00000e+00 5.89314e+01 174.537 1.55656e+01 174.537 0.7859 
1 1 1 10 19 21 f 0  1.69443e+02 2.34605e+01 6.43611e+01 279.214 1.55070e+00  -9.55947e+00 0.00000e+00 0.00000e+00 1.64498e+02 279.214 1.00137e+02 279.214 0.9469 
1 1 1 10 19 22 o 13 5.42007e+01 2.46305e+01 3.39115e+01 11.666  1.76775e+00  3.64993e-01  0.00000e+00 0.00000e+00 1.79075e+01 11.666  1.60040e+01 191.666 0.6630 
1 1 1 10 19 23 o 10 6.26496e+01 2.64863e+01 2.57516e+01 123.356 -8.64360e-01 1.31306e+00  0.00000e+00 0.00000e+00 3.02990e+01 123.356 4.54739e+00 123.356 0.6134 
1 1 1 10 19 24 o 9  5.01102e+01 2.31027e+01 1.61978e+01 54.364  5.47894e-01  7.64281e-01  0.00000e+00 0.00000e+00 1.52228e+01 54.364  9.74984e-01 234.364 0.4249 
1 1 1 10 19 25 o 10 4.35112e+01 2.09985e+01 3.42552e+01 176.338 -2.22102e+00 1.42161e-01  0.00000e+00 0.00000e+00 1.33054e+01 176.338 2.09497e+01 356.338 0.7315 
1 1 1 10 19 26 o 6  6.58539e+01 2.75909e+01 3.41729e+01 206.071 -2.28784e+00 -1.11938e+00 0.00000e+00 0.00000e+00 4.25757e+01 206.071 8.40275e+00 206.071 0.7700 
1 1 1 10 19 27 o 7  4.72492e+01 2.25713e+01 1.27835e+01 253.859 -2.86237e-01 -9.89044e-01 0.00000e+00 0.00000e+00 2.03225e+01 253.859 7.53898e+00 253.859 0.4568 
1 1 1 10 19 28 o 14 5.10205e+01 2.39514e+01 2.23648e+01 311.259 1.21655e+00  -1.38676e+00 0.00000e+00 0.00000e+00 3.08459e+01 311.259 8.48111e+00 311.259 0.6706 
1 1 1 10 20 0  o 16 7.33496e+01 3.34704e+01 9.18705e+01 180.000 -9.70971e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.02660e+01 0.000   1.12137e+02 0.000   0.7491 
1 1 1 10 20 1  o 11 1.18412e+02 1.85734e+01 1.34489e+02 35.171  3.90637e+00  2.75265e+00  0.00000e+00 0.00000e+00 2.56652e+00 35.171  1.31923e+02 215.171 0.8880 
1 1 1 10 20 2  o 4  2.53724e+02 1.96009e+01 1.13616e+02 59.039  4.40616e+00  7.34449e+00  0.00000e+00 0.00000e+00 1.97384e+02 59.039  8.37673e+01 59.039  0.9397 
1 1 1 10 20 3  o 14 1.95042e+02 2.10057e+01 6.84951e+01 330.809 3.41425e+00  -1.90743e+00 0.00000e+00 0.00000e+00 1.50584e+02 330.809 8.20892e+01 330.809 0.8600 
1 1 1 10 20 4  o 1  1.45300e+02 4.22290e+01 6.31422e+01 265.862 -1.45253e-01 -2.00774e+00 0.00000e+00 0.00000e+00 6.99149e+01 265.862 6.77266e+00 265.862 0.6999 
1 1 1 10 20 5  o 6  5.38628e+01 2.24761e+01 4.36578e+01 180.435 -6.27661e-01 -4.77050e-03 0.00000e+00 0.00000e+00 2.25147e+01 0.435   6.61724e+01 0.435   0.2993 
1 1 1 10 20 6  o 8  2.55820e+02 1.60274e+01 1.09154e+02 309.388 5.62052e+00  -6.84534e+00 0.00000e+00 0.00000e+00 2.07649e+02 309.388 9.84941e+01 309.388 0.9417 
1 1 1 10 20 7  o 5  7.15360e+01 2.27647e+01 3.57717e+00 182.682 -7.93362e-02 -3.71648e-03 0.00000e+00 0.00000e+00 1.67826e-01 182.682 3.40934e+00 2.682   0.0397 
1 1 1 10 20 8  o 6  1.18595e+02 1.90382e+01 2.80502e+01 216.995 -8.42881e-01 -6.35045e-01 0.00000e+00 0.00000e+00 4.50845e+01 216.995 1.70343e+01 216.995 0.4657 
1 1 1 10 20 9  o 16 1.48137e+02 1.97394e+01 6.59085e+01 262.503 -5.02670e-01 -3.81982e+00 0.00000e+00 0.00000e+00 1.03062e+02 262.503 3.71538e+01 262.503 0.8576 
1 1 1 10 20 10 o 16 1.61169e+02 1.93499e+01 2.88301e+01 57.701  1.05133e+00  1.66308e+00  0.00000e+00 0.00000e+00 1.20296e+02 57.701  9.14662e+01 57.701  0.6924 
1 1 1 10 20 11 o 6  9.84583e+01 2.58719e+01 4.78872e+01 152.687 -1.59464e+00 8.23512e-01  0.00000e+00 0.00000e+00 3.95510e+01 152.687 8.33613e+00 332.687 0.6610 
1 1 1 10 20 12 o 12 5.06765e+01 2.26081e+01 2.31206e+01 297.661 2.07712e-01  -3.96285e-01 0.00000e+00 0.00000e+00 8.17192e+00 117.661 3.12925e+01 117.661 0.2183 
1 1 1 10 20 13 o 7  1.10705e+02 2.76550e+01 3.53580e+01 268.985 -3.04862e-02 -1.72027e+00 0.00000e+00 0.00000e+00 6.19106e+01 268.985 2.65526e+01 268.985 0.6461 
1 1 1 10 20 14 o 7  1.59597e+02 2.37306e+01 9.54021e+01 25.511  7.09414e+00  3.38539e+00  0.00000e+00 0.00000e+00 1.08697e+02 25.511  1.32946e+01 25.511  0.9340 
1 1 1 10 20 15 o 1  7.29565e+01 2.93092e+01 4.63111e+01 250.330 -4.99304e-01 -1.39684e+00 0.00000e+00 0.00000e+00 1.32572e+01 250.330 3.30540e+01 70.330  0.5920 
1 1 1 10 20 16 o 16 8.85001e+01 2.98638e+01 5.98239e+00 304.060 1.33219e-01  -1.97057e-01 0.00000e+00 0.00000e+00 8.54574e+00 304.060 2.56336e+00 304.060 0.1181 
1 1 1 10 20 17 o 1  8.19669e+01 3.01816e+01 6.13673e+01 39.580  2.17815e+00  1.80063e+00  0.00000e+00 0.00000e+00 3.01129e+01 39.580  3.12543e+01 219.580 0.7963 
1 1 1 10 20 18 o 1  8.39754e+01 2.61516e+01 6.98489e+00 289.403 1.32552e-01  -3.76342e-01 0.00000e+00 0.00000e+00 1.62460e+01 289.403 9.26110e+00 289.403 0.1956 
1 1 1 10 20 19 o 3  6.03457e+01 2.42748e+01 3.53997e+01 131.673 -1.19111e+00 1.33814e+00  0.00000e+00 0.00000e+00 2.14805e+01 131.673 1.39192e+01 311.673 0.6604 
1 1 1 10 20 20 o 16 8.78429e+01 2.99207e+01 4.72904e+01 267.795 -1.27428e-01 -3.30946e+00 0.00000e+00 0.00000e+00 5.78846e+01 267.795 1.05942e+01 267.795 0.8306 
1 1 1 10 20 21 o 18 7.00215e+01 2.72418e+01 2.70927e+01 289.464 5.66305e-01  -1.60236e+00 0.00000e+00 0.00000e+00 3.83499e+01 289.464 1.12572e+01 289.464 0.6417 
1 1 1 10 20 22 o 3  1.51851e+02 2.52421e+01 5.03678e+01 116.811 -3.52420e+00 6.97343e+00  0.00000e+00 0.00000e+00 1.58361e+02 116.811 1.07993e+02 116.811 0.9336 
1 1 1 10 20 23 o 3  7.11320e+01 3.07026e+01 3.64611e+01 12.865  2.16779e+00  4.95094e-01  0.00000e+00 0.00000e+00 4.09976e+01 12.865  4.53647e+00 12.865  0.7313 
1 1 1 10 20 24 o 10 5.50201e+01 2.45196e+01 1.26392e+01 45.411  6.18276e-01  6.27201e-01  0.00000e+00 0.00000e+00 2.07332e+01 45.411  8.09395e+00 45.411  0.4025 
1 1 1 10 20 25 f 0  4.52414e+01 2.16343e+01 4.49296e+00 107.352 -9.17074e-02 2.93508e-01  0.00000e+00 0.00000e+00 5.99533e+00 107.352 1.50237e+00 107.352 0.1520 
1 1 1 10 20 26 o 1  6.06015e+01 2.62112e+01 1.09290e+01 275.557 8.85248e-02  -9.09927e-01 0.00000e+00 0.00000e+00 2.79514e+01 275.557 1.70224e+01 275.557 0.4152 
1 1 1 10 20 27 o 12 4.78235e+01 2.26649e+01 2.01648e+01 123.939 -9.14897e-01 1.35949e+00  0.00000e+00 0.00000e+00 2.69149e+01 123.939 6.75013e+00 123.939 0.6286 
1 1 1 10 20 28 o 18 6.44337e+01 2.76653e+01 1.37158e+01 101.712 -2.38230e-01 1.14920e+00  0.00000e+00 0.00000e+00 3.79088e+01 101.712 2.41930e+01 101.712 0.5045 
1 1 1 10 21 0  o 10 4.48603e+01 2.78895e+01 3.62135e+01 180.000 -2.50817e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.15336e+01 0.000   5.77471e+01 0.000   0.2457 
1 1 1 10 21 1  o 18 2.58549e+02 1.55183e+01 1.50776e+02 2.804   1.29342e+01  6.33392e-01  0.00000e+00 0.00000e+00 1.80098e+02 2.804   2.93220e+01 2.804   0.9606 
1 1 1 10 21 2  o 13 5.80489e+02 2.30551e+01 2.53173e+02 305.579 2.66321e+01  -3.72286e+01 0.00000e+00 0.00000e+00 5.12272e+02 305.579 2.59099e+02 305.579 0.9890 
1 1 1 10 21 3  o 3  1.59513e+02 2.42145e+01 2.57058e+01 6.445   1.25050e+00  1.41250e-01  0.00000e+00 0.00000e+00 8.72625e+01 6.445   6.15567e+01 6.445   0.5305 
1 1 1 10 21 4  o 11 2.87456e+02 1.57800e+01 1.50045e+02 129.729 -9.04394e+00 1.08821e+01  0.00000e+00 0.00000e+00 2.20529e+02 129.729 7.04835e+01 129.729 0.9640 
1 1 1 10 21 5  o 17 4.87230e+02 2.14218e+01 2.22545e+02 194.888 -4.11587e+01 -1.09420e+01 0.00000e+00 0.00000e+00 4.22798e+02 194.888 2.00254e+02 194.888 0.9882 
1 1 1 10 21 6  o 9  1.02701e+02 2.44090e+01 4.66972e+01 209.103 -1.57740e+00 -8.78069e-01 0.00000e+00 0.00000e+00 4.48307e+01 209.103 1.86648e+00 29.103  0.6631 
1 1 1 10 21 7  o 14 3.13046e+02 1.46332e+01 1.72719e+02 353.677 2.41043e+01  -2.67085e+00 0.00000e+00 0.00000e+00 2.40621e+02 353.677 6.79018e+01 353.677 0.9792 
1 1 1 10 21 8  o 6  7.60035e+01 2.30958e+01 3.02947e+01 138.346 -6.87360e-01 6.11426e-01  0.00000e+00 0.00000e+00 1.26369e+01 138.346 1.76579e+01 318.346 0.4173 
1 1 1 10 21 9  o 8  5.52048e+01 2.13642e+01 3.76180e+01 144.419 -6.65407e-01 4.76051e-01  0.00000e+00 0.00000e+00 9.22986e+00 324.419 4.68479e+01 324.419 0.3783 
1 1 1 10 21 10 o 8  1.09486e+02 2.50966e+01 1.18811e+02 79.730  1.05962e+00  5.84831e+00  0.00000e+00 0.00000e+00 1.75009e+01 79.730  1.01310e+02 259.730 0.9115 
1 1 1 10 21 11 o 6  4.63987e+01 2.12291e+01 4.95858e+01 164.251 -1.08214e+00 3.05181e-01  0.00000e+00 0.00000e+00 1.84475e+01 344.251 6.80333e+01 344.251 0.4887 
1 1 1 10 21 12 o 12 1.33785e+02 2.45910e+01 1.39917e+02 268.986 -1.69998e-01 -9.60072e+00 0.00000e+00 0.00000e+00 3.49601e+01 268.986 1.04957e+02 88.986  0.9464 
1 1 1 10 21 13 o 18 7.47344e+01 2.78317e+01 5.53465e+01 343.887 1.97281e+00  -5.69917e-01 0.00000e+00 0.00000e+00 1.80266e+01 343.887 3.73199e+01 163.887 0.7064 
1 1 1 10 21 14 o 10 7.74190e+01 2.83818e+01 6.33536e+01 103.075 -5.17839e-01 2.22963e+00  0.00000e+00 0.00000e+00 1.68139e+01 103.075 4.65397e+01 283.075 0.7400 
1 1 1 10 21 15 o 16 7.93085e+01 2.94222e+01 2.46552e+01 19.085  9.95856e-01  3.44558e-01  0.00000e+00 0.00000e+00 2.73452e+01 19.085  2.68998e+00 19.085  0.4651 
1 1 1 10 21 16 o 16 5.37181e+01 2.43524e+01 3.07701e+01 67.190  4.32458e-01  1.02826e+00  0.00000e+00 0.00000e+00 6.30749e+00 67.190  2.44626e+01 247.190 0.4858 
1 1 1 10 21 17 o 17 9.12672e+01 3.06003e+01 1.73698e+01 320.436 7.39250e-01  -6.10781e-01 0.00000e+00 0.00000e+00 3.90684e+01 320.436 2.16986e+01 320.436 0.4316 
1 1 1 10 21 18 o 11 8.13363e+01 2.67476e+01 4.14375e+01 203.743 -2.40121e+00 -1.05620e+00 0.00000e+00 0.00000e+00 4.99937e+01 203.743 8.55627e+00 203.743 0.7778 
1 1 1 10 21 19 f 0  8.90583e+01 3.12510e+01 7.59684e+01 257.618 -1.10110e+00 -5.01555e+00 0.00000e+00 0.00000e+00 4.04983e+01 257.618 3.54701e+01 77.618  0.8964 
1 1 1 10 21 20 o 18 7.89155e+01 2.92889e+01 4.99994e+01 18.917  3.10146e+00  1.06291e+00  0.00000e+00 0.00000e+00 4.63425e+01 18.917  3.65687e+00 198.917 0.8286 
1 1 1 10 21 21 o 3  1.09141e+02 3.26656e+01 6.63582e+01 95.098  -4.95118e-01 5.54991e+00  0.00000e+00 0.00000e+00 8.06987e+01 95.098  1.43405e+01 95.098  0.9051 
1 1 1 10 21 22 o 9  6.46746e+01 2.73966e+01 1.56876e+01 238.229 -5.21163e-01 -8.41501e-01 0.00000e+00 0.00000e+00 2.74044e+01 238.229 1.17168e+01 238.229 0.4428 
1 1 1 10 21 23 o 3  7.39139e+01 2.86210e+01 3.53286e+01 296.309 1.20972e+00  -2.44671e+00 0.00000e+00 0.00000e+00 5.32972e+01 296.309 1.79686e+01 296.309 0.7878 
1 1 1 10 21 24 o 17 4.50538e+01 2.13817e+01 2.49023e+01 217.696 -1.35972e+00 -1.05076e+00 0.00000e+00 0.00000e+00 1.99006e+01 217.696 5.00173e+00 37.696  0.6457 
1 1 1 10 21 25 o 18 6.88888e+01 2.79993e+01 1.27432e+01 89.731  4.73793e-03  1.01089e+00  0.00000e+00 0.00000e+00 3.56206e+01 89.731  2.28774e+01 89.731  0.4502 
1 1 1 10 21 26 o 18 5.82733e+01 2.57149e+01 3.99660e+01 315.313 2.34419e+00  -2.31869e+00 0.00000e+00 0.00000e+00 3.64066e+01 315.313 3.55937e+00 135.313 0.8298 
1 1 1 10 21 27 o 19 6.10663e+01 2.66025e+01 5.01955e+00 162.864 -4.12552e-01 1.27198e-01  0.00000e+00 0.00000e+00 1.56039e+01 162.864 1.05843e+01 162.864 0.2110 
1 1 1 10 22 0  o 16 4.76759e+01 2.89165e+01 3.94115e+01 0.000   3.99933e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.47287e+01 180.000 5.41402e+01 180.000 0.3799 
1 1 1 10 22 1  o 4  6.01169e+01 2.27054e+01 6.76581e+01 257.054 -3.76989e-01 -1.64003e+00 0.00000e+00 0.00000e+00 1.53598e+01 77.054  8.30179e+01 77.054  0.6382 
1 1 1 10 22 2  o 16 1.68094e+02 3.29669e+01 1.08321e+02 260.292 -1.09222e+00 -6.38417e+00 0.00000e+00 0.00000e+00 1.02459e+02 260.292 5.86194e+00 80.292  0.9192 
1 1 1 10 22 3  o 6  1.52516e+02 2.59064e+01 4.28658e+01 188.569 -2.54984e+00 -3.84216e-01 0.00000e+00 0.00000e+00 1.18227e+02 188.569 7.53617e+01 188.569 0.7733 
1 1 1 10 22 4  o 3  2.13303e+02 1.70722e+01 9.63876e+01 94.095  -6.32562e-01 8.83468e+00  0.00000e+00 0.00000e+00 1.78473e+02 94.095  8.20850e+01 94.095  0.9417 
1 1 1 10 22 5  o 19 6.71268e+01 2.48157e+01 7.33652e+01 88.420  5.30949e-02  1.92536e+00  0.00000e+00 0.00000e+00 1.02808e+01 268.420 8.36460e+01 268.420 0.6853 
1 1 1 10 22 6  o 18 4.61998e+01 2.05471e+01 6.23543e+01 276.288 1.26130e-01  -1.14458e+00 0.00000e+00 0.00000e+00 3.07451e+01 96.288  9.30994e+01 96.288  0.4975 
1 1 1 10 22 8  o 9  1.76605e+02 1.70813e+01 8.01876e+01 266.950 -3.85057e-01 -7.22558e+00 0.00000e+00 0.00000e+00 1.46816e+02 266.950 6.66281e+01 266.950 0.9281 
1 1 1 10 22 9  o 12 1.07266e+02 2.07647e+01 4.20828e+01 239.459 -1.13070e+00 -1.91638e+00 0.00000e+00 0.00000e+00 6.70537e+01 239.459 2.49709e+01 239.459 0.7315 
1 1 1 10 22 10 o 3  1.06118e+02 2.56120e+01 6.77608e+01 15.260  3.50486e+00  9.56169e-01  0.00000e+00 0.00000e+00 5.79714e+01 15.260  9.78934e+00 195.260 0.8478 
1 1 1 10 22 11 o 11 8.06381e+01 2.67872e+01 5.07056e+01 263.447 -2.37350e-01 -2.06616e+00 0.00000e+00 0.00000e+00 2.97873e+01 263.447 2.09183e+01 83.447  0.7104 
1 1 1 10 22 12 o 19 1.01513e+02 2.76492e+01 4.99567e+01 85.776  1.69343e-01  2.29262e+00  0.00000e+00 0.00000e+00 5.63791e+01 85.776  6.42243e+00 85.776  0.7412 
1 1 1 10 22 13 o 6  1.10385e+02 2.81101e+01 5.68875e+01 116.424 -1.56097e+00 3.14124e+00  0.00000e+00 0.00000e+00 7.52146e+01 116.424 1.83271e+01 116.424 0.8415 
1 1 1 10 22 14 o 19 1.65840e+02 2.31613e+01 6.99861e+01 328.777 6.59640e+00  -3.99853e+00 0.00000e+00 0.00000e+00 1.51499e+02 328.777 8.15128e+01 328.777 0.9327 
1 1 1 10 22 15 f 0  6.48262e+01 2.66730e+01 1.10862e+01 119.811 -2.41625e-01 4.21718e-01  0.00000e+00 0.00000e+00 1.09911e+01 119.811 9.51249e-02 299.811 0.2361 
1 1 1 10 22 16 o 15 6.40998e+01 2.69338e+01 2.09254e+01 208.934 -8.60573e-01 -4.75732e-01 0.00000e+00 0.00000e+00 2.01159e+01 208.934 8.09512e-01 28.934  0.4404 
1 1 1 10 22 17 o 17 6.56283e+01 2.75902e+01 3.16580e+01 298.869 7.91914e-01  -1.43637e+00 0.00000e+00 0.00000e+00 2.88455e+01 298.869 2.81252e+00 118.869 0.6289 
1 1 1 10 22 18 o 13 1.35604e+02 2.20189e+01 5.16186e+01 203.630 -7.17113e+00 -3.13740e+00 0.00000e+00 0.00000e+00 1.35631e+02 203.630 8.40120e+01 203.630 0.9337 
1 1 1 10 22 19 o 13 7.95874e+01 2.92251e+01 1.14004e+01 347.355 7.34421e-01  -1.64769e-01 0.00000e+00 0.00000e+00 3.04149e+01 347.355 1.90144e+01 347.355 0.3520 
1 1 1 10 22 20 o 3  7.75524e+01 2.77189e+01 3.74399e+01 127.667 -1.64122e+00 2.12604e+00  0.00000e+00 0.00000e+00 5.41894e+01 127.667 1.67495e+01 127.667 0.7838 
1 1 1 10 22 21 o 9  5.82203e+01 2.48058e+01 3.20093e+01 74.441  5.87117e-01  2.10863e+00  0.00000e+00 0.00000e+00 3.24114e+01 74.441  4.02098e-01 74.441  0.7265 
1 1 1 10 22 22 o 19 5.69346e+01 2.73881e+01 2.87976e+01 322.078 1.42468e+00  -1.10996e+00 0.00000e+00 0.00000e+00 2.93413e+01 322.078 5.43706e-01 322.078 0.6632 
1 1 1 10 22 23 o 15 5.12859e+01 2.37980e+01 1.98614e+01 221.957 -1.02512e+00 -9.21626e-01 0.00000e+00 0.00000e+00 2.52341e+01 221.957 5.37263e+00 221.957 0.5646 
1 1 1 10 22 24 o 13 3.65608e+01 1.81686e+01 1.29286e+01 304.022 5.88195e-01  -8.71316e-01 0.00000e+00 0.00000e+00 1.38196e+01 304.022 8.90995e-01 304.022 0.4643 
1 1 1 10 22 25 o 5  4.05520e+01 1.98752e+01 1.72907e+01 221.640 -1.05379e+00 -9.36932e-01 0.00000e+00 0.00000e+00 1.97885e+01 221.640 2.49773e+00 221.640 0.5731 
1 1 1 10 22 26 o 4  3.93527e+01 1.93453e+01 1.00844e+01 97.425  -1.15396e-01 8.85505e-01  0.00000e+00 0.00000e+00 1.58123e+01 97.425  5.72796e+00 97.425  0.4072 
1 1 1 10 23 0  o 9  1.07515e+02 3.39419e+01 5.80542e+01 0.000   1.46873e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.69183e+01 0.000   1.88641e+01 0.000   0.8993 
1 1 1 10 23 1  o 14 8.79852e+01 2.37148e+01 6.57267e+01 227.442 -1.84792e+00 -2.01259e+00 0.00000e+00 0.00000e+00 3.10868e+01 227.442 3.46399e+01 47.442  0.7881 
1 1 1 10 23 2  o 2  2.36585e+02 2.12939e+01 1.10494e+02 162.255 -1.21809e+01 3.89797e+00  0.00000e+00 0.00000e+00 2.06889e+02 162.255 9.63951e+01 162.255 0.9601 
1 1 1 10 23 3  o 19 7.74323e+01 2.90131e+01 6.29472e+01 161.962 -1.99641e+00 6.50125e-01  0.00000e+00 0.00000e+00 1.43456e+01 161.962 4.86016e+01 341.962 0.7135 
1 1 1 10 23 4  o 8  7.85353e+01 2.60178e+01 5.62795e+01 326.865 1.67130e+00  -1.09097e+00 0.00000e+00 0.00000e+00 2.04501e+01 326.865 3.58295e+01 146.865 0.6971 
1 1 1 10 23 5  o 16 1.55502e+02 2.20888e+01 9.22114e+01 11.593  6.85716e+00  1.40667e+00  0.00000e+00 0.00000e+00 1.09960e+02 11.593  1.77482e+01 11.593  0.9255 
1 1 1 10 23 6  o 18 6.55568e+01 2.50427e+01 7.20974e+01 358.491 2.18861e+00  -5.76418e-02 0.00000e+00 0.00000e+00 5.00429e+00 178.491 7.71017e+01 178.491 0.7265 
1 1 1 10 23 7  o 5  2.05646e+02 3.45049e+01 1.48367e+02 192.549 -1.26928e+01 -2.82523e+00 0.00000e+00 0.00000e+00 1.30855e+02 192.549 1.75128e+01 12.549  0.9607 
1 1 1 10 23 8  o 8  5.72354e+01 2.17944e+01 1.87495e+00 241.438 -2.88450e-02 -5.29898e-02 0.00000e+00 0.00000e+00 5.73260e-01 241.438 1.30169e+00 61.438  0.0302 
1 1 1 10 23 9  o 7  2.01051e+02 1.85403e+01 7.28804e+01 332.958 6.93294e+00  -3.53885e+00 0.00000e+00 0.00000e+00 1.94470e+02 332.958 1.21590e+02 332.958 0.9334 
1 1 1 10 23 10 o 1  7.29749e+01 2.35908e+01 9.41158e+01 177.828 -3.52198e+00 1.33582e-01  0.00000e+00 0.00000e+00 6.11536e+00 357.828 1.00231e+02 357.828 0.8424 
1 1 1 10 23 11 o 9  1.20196e+02 2.80826e+01 1.40043e+01 314.339 6.59094e-01  -6.74489e-01 0.00000e+00 0.00000e+00 5.96589e+01 314.339 4.56546e+01 314.339 0.4258 
1 1 1 10 23 12 o 7  1.07551e+02 2.72541e+01 6.41934e+01 69.320  1.48133e+00  3.92431e+00  0.00000e+00 0.00000e+00 7.13450e+01 69.320  7.15162e+00 69.320  0.8706 
1 1 1 10 23 13 o 2  7.94603e+01 2.91020e+01 2.02739e+01 321.567 7.59144e-01  -6.02407e-01 0.00000e+00 0.00000e+00 3.01160e+01 321.567 9.84212e+00 321.567 0.4353 
1 1 1 10 23 14 o 3  6.77851e+01 2.75085e+01 4.11638e+01 18.177  1.92174e+00  6.30989e-01  0.00000e+00 0.00000e+00 2.85727e+01 18.177  1.25911e+01 198.177 0.7015 
1 1 1 10 23 15 o 6  6.08254e+01 2.62953e+01 4.16634e+00 341.768 1.90554e-01  -6.27679e-02 0.00000e+00 0.00000e+00 4.80304e+00 341.768 6.36701e-01 341.768 0.0998 
1 1 1 10 23 16 o 15 6.89485e+01 2.81547e+01 4.45900e+01 199.862 -2.44706e+00 -8.84011e-01 0.00000e+00 0.00000e+00 3.50395e+01 199.862 9.55055e+00 19.862  0.7756 
1 1 1 10 23 17 o 17 9.47742e+01 3.01171e+01 3.63099e+01 202.884 -2.61037e+00 -1.10181e+00 0.00000e+00 0.00000e+00 7.70822e+01 202.884 4.07723e+01 202.884 0.7969 
1 1 1 10 23 18 o 19 5.94306e+01 2.62233e+01 1.28446e+01 280.835 1.37220e-01  -7.16939e-01 0.00000e+00 0.00000e+00 1.80010e+01 280.835 5.15643e+00 280.835 0.3426 
1 1 1 10 23 19 o 10 6.57096e+01 3.01857e+01 7.30730e+01 59.051  2.10084e+00  3.50348e+00  0.00000e+00 0.00000e+00 1.40026e+01 59.051  5.90704e+01 239.051 0.8667 
1 1 1 10 23 20 o 3  3.98801e+01 1.93289e+01 1.17968e+01 24.414  6.40832e-01  2.90879e-01  0.00000e+00 0.00000e+00 8.63148e+00 24.414  3.16529e+00 204.414 0.3318 
1 1 1 10 23 21 o 3  1.25199e+02 2.57956e+01 4.69001e+01 240.669 -3.39686e+00 -6.04554e+00 0.00000e+00 0.00000e+00 1.33734e+02 240.669 8.68335e+01 240.669 0.9248 
1 1 1 10 23 22 o 15 6.24039e+01 2.63200e+01 2.52327e+01 317.965 1.38966e+00  -1.25280e+00 0.00000e+00 0.00000e+00 4.12398e+01 317.965 1.60071e+01 317.965 0.6754 
1 1 1 10 23 23 o 18 4.57737e+01 2.19775e+01 2.22577e+01 200.711 -1.66326e+00 -6.28851e-01 0.00000e+00 0.00000e+00 2.57685e+01 200.711 3.51084e+00 200.711 0.6578 
1 1 1 10 23 24 o 5  4.28353e+01 2.05938e+01 2.52088e+01 125.537 -1.20103e+00 1.68148e+00  0.00000e+00 0.00000e+00 2.37695e+01 125.537 1.43925e+00 305.537 0.7084 
1 1 1 10 23 25 o 4  5.89969e+01 2.55688e+01 1.21627e+01 310.923 6.96689e-01  -8.03631e-01 0.00000e+00 0.00000e+00 3.30031e+01 310.923 2.08404e+01 310.923 0.4685 
1 1 1 10 24 0  o 9  4.85117e+01 2.96469e+01 5.44067e+01 180.000 -7.30306e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.11307e+01 0.000   6.55374e+01 0.000   0.6233 
1 1 1 10 24 1  o 2  4.90957e+01 2.22199e+01 2.57100e+01 15.844  6.57510e-01  1.86597e-01  0.00000e+00 0.00000e+00 2.99096e+00 195.844 2.87009e+01 195.844 0.3232 
1 1 1 10 24 2  o 12 2.34456e+02 2.27137e+01 1.64582e+02 83.457  2.45601e+00  2.14138e+01  0.00000e+00 0.00000e+00 1.63451e+02 83.457  1.13108e+00 263.457 0.9765 
1 1 1 10 24 3  o 14 5.75956e+01 2.38226e+01 5.17281e+01 107.119 -4.78747e-01 1.55436e+00  0.00000e+00 0.00000e+00 1.58756e-02 287.119 5.17440e+01 287.119 0.6259 
1 1 1 10 24 4  o 18 1.61192e+02 1.98152e+01 1.42010e+02 256.012 -3.23093e+00 -1.29699e+01 0.00000e+00 0.00000e+00 8.07997e+01 256.012 6.12101e+01 76.012  0.9618 
1 1 1 10 24 5  o 18 1.82165e+02 1.89701e+01 1.21383e+02 285.468 3.14257e+00  -1.13567e+01 0.00000e+00 0.00000e+00 1.29609e+02 285.468 8.22551e+00 285.468 0.9566 
1 1 1 10 24 6  o 6  1.38205e+02 2.40186e+01 8.15622e+01 36.547  4.43075e+00  3.28425e+00  0.00000e+00 0.00000e+00 9.89142e+01 36.547  1.73520e+01 36.547  0.9041 
1 1 1 10 24 7  o 12 4.99014e+01 2.18017e+01 4.41482e+01 160.819 -1.10694e+00 3.85072e-01  0.00000e+00 0.00000e+00 7.70059e+00 340.819 5.18488e+01 340.819 0.5040 
1 1 1 10 24 8  o 15 1.49370e+02 2.32395e+01 2.47236e+01 283.733 5.49791e-01  -2.24966e+00 0.00000e+00 0.00000e+00 1.36797e+02 283.733 1.12074e+02 283.733 0.7434 
1 1 1 10 24 9  o 15 9.56404e+01 2.17975e+01 7.01935e+01 46.758  3.19855e+00  3.40109e+00  0.00000e+00 0.00000e+00 5.34689e+01 46.758  1.67246e+01 226.758 0.8851 
1 1 1 10 24 10 o 12 5.80797e+01 2.25987e+01 8.34420e+01 189.417 -3.41280e+00 -5.66044e-01 0.00000e+00 0.00000e+00 1.19179e+01 9.417   9.53599e+01 9.417   0.8390 
1 1 1 10 24 11 o 10 1.11474e+02 2.14215e+01 6.86753e+01 126.219 -3.52364e+00 4.81114e+00  0.00000e+00 0.00000e+00 8.13133e+01 126.219 1.26380e+01 126.219 0.9118 
1 1 1 10 24 12 o 1  9.86802e+01 2.81118e+01 6.18180e+01 355.289 4.33472e+00  -3.57201e-01 0.00000e+00 0.00000e+00 6.64472e+01 355.289 4.62928e+00 355.289 0.8757 
1 1 1 10 24 13 o 1  1.39765e+02 2.59168e+01 1.12544e+02 322.670 1.00474e+01  -7.66243e+00 0.00000e+00 0.00000e+00 8.77748e+01 322.670 2.47694e+01 142.670 0.9596 
1 1 1 10 24 14 o 13 9.12505e+01 3.31366e+01 2.13676e+01 306.758 7.66305e-01  -1.02589e+00 0.00000e+00 0.00000e+00 5.23242e+01 306.758 3.09566e+01 306.758 0.5370 
1 1 1 10 24 15 o 18 9.48942e+01 2.97866e+01 6.64748e+01 144.961 -4.31304e+00 3.02445e+00  0.00000e+00 0.00000e+00 6.27946e+01 144.961 3.68013e+00 324.961 0.8992 
1 1 1 10 24 16 o 6  6.46347e+01 2.72069e+01 1.01264e+01 209.878 -5.24860e-01 -3.01539e-01 0.00000e+00 0.00000e+00 1.84511e+01 209.878 8.32468e+00 209.878 0.2896 
1 1 1 10 24 17 o 4  4.65456e+01 2.23290e+01 2.92750e+01 128.538 -9.71638e-01 1.21984e+00  0.00000e+00 0.00000e+00 1.44727e+01 128.538 1.48023e+01 308.538 0.6105 
1 1 1 10 24 18 o 4  7.89329e+01 3.33370e+01 1.46627e+01 215.814 -7.17631e-01 -5.17843e-01 0.00000e+00 0.00000e+00 3.48845e+01 215.814 2.02219e+01 215.814 0.4041 
1 1 1 10 24 19 o 9  5.10043e+01 2.36717e+01 6.90443e+00 62.702  2.16153e-01  4.18830e-01  0.00000e+00 0.00000e+00 1.14346e+01 62.702  4.53016e+00 62.702  0.2293 
1 1 1 10 24 20 o 10 7.36064e+01 2.74401e+01 1.42990e+01 71.461  3.61446e-01  1.07780e+00  0.00000e+00 0.00000e+00 4.31257e+01 71.461  2.88266e+01 71.461  0.4928 
1 1 1 10 24 21 o 17 4.41280e+01 2.10024e+01 4.82537e+01 265.888 -2.58659e-01 -3.59772e+00 0.00000e+00 0.00000e+00 1.15019e+01 265.888 3.67518e+01 85.888  0.8465 
1 1 1 10 24 22 o 13 4.26358e+01 2.04641e+01 2.16930e+01 248.108 -6.57256e-01 -1.63565e+00 0.00000e+00 0.00000e+00 2.34474e+01 248.108 1.75447e+00 248.108 0.6547 
1 1 1 10 24 23 o 5  5.41350e+01 2.47508e+01 2.35565e+01 68.423  7.05916e-01  1.78504e+00  0.00000e+00 0.00000e+00 3.70162e+01 68.423  1.34597e+01 68.423  0.6841 
1 1 1 10 24 24 o 16 6.33571e+01 2.72532e+01 3.15360e+01 120.900 -1.36138e+00 2.27468e+00  0.00000e+00 0.00000e+00 5.03046e+01 120.900 1.87686e+01 120.900 0.7805 
1 1 1 10 25 0  o 8  7.27316e+01 3.66628e+01 7.80856e+01 0.000   1.40788e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.67019e+01 0.000   6.13837e+01 180.000 0.8870 
1 1 1 10 25 1  o 5  6.17227e+01 2.51127e+01 1.75536e+01 276.260 5.94415e-02  -5.41896e-01 0.00000e+00 0.00000e+00 6.29535e+00 276.260 1.12582e+01 96.260  0.2629 
1 1 1 10 25 2  f 0  5.48362e+01 2.49759e+01 1.98055e+01 144.368 -5.36901e-01 3.84830e-01  0.00000e+00 0.00000e+00 5.47658e+00 144.368 1.43289e+01 324.368 0.3135 
1 1 1 10 25 3  o 15 5.90123e+01 2.42691e+01 3.40662e+01 31.447  1.05724e+00  6.46544e-01  0.00000e+00 0.00000e+00 1.15359e+01 31.447  2.25303e+01 211.447 0.5248 
1 1 1 10 25 4  o 7  1.00500e+02 2.57869e+01 4.04760e+01 192.214 -2.36182e+00 -5.11245e-01 0.00000e+00 0.00000e+00 7.15436e+01 192.214 3.10676e+01 192.214 0.7556 
1 1 1 10 25 5  o 2  7.87714e+01 2.66520e+01 6.14036e+01 248.392 -1.11096e+00 -2.80476e+00 0.00000e+00 0.00000e+00 3.30735e+01 248.392 2.83301e+01 68.392  0.8112 
1 1 1 10 25 6  o 9  1.01075e+02 2.78210e+01 5.62343e+01 199.665 -3.22820e+00 -1.15361e+00 0.00000e+00 0.00000e+00 6.92331e+01 199.665 1.29988e+01 199.665 0.8373 
1 1 1 10 25 7  o 3  7.51556e+01 2.60858e+01 1.37434e+01 203.384 -6.22584e-01 -2.69208e-01 0.00000e+00 0.00000e+00 2.21451e+01 203.384 8.40175e+00 203.384 0.3210 
1 1 1 10 25 8  o 17 1.27509e+02 1.80281e+01 5.74552e+01 8.283   6.16263e+00  8.97175e-01  0.00000e+00 0.00000e+00 1.16891e+02 8.283   5.94355e+01 8.283   0.9158 
1 1 1 10 25 9  o 11 8.41163e+01 2.29717e+01 3.12822e+01 115.981 -8.62186e-01 1.76924e+00  0.00000e+00 0.00000e+00 5.60625e+01 115.981 2.47802e+01 115.981 0.6925 
1 1 1 10 25 10 o 19 8.95837e+01 2.29499e+01 4.51006e+01 335.068 3.03332e+00  -1.41007e+00 0.00000e+00 0.00000e+00 6.72798e+01 335.068 2.21791e+01 335.068 0.8326 
1 1 1 10 25 11 o 18 4.45594e+01 2.01278e+01 8.13507e+00 81.678  5.29885e-02  3.62260e-01  0.00000e+00 0.00000e+00 4.01798e+00 81.678  4.11710e+00 261.678 0.1801 
1 1 1 10 25 12 o 17 7.60724e+01 2.78954e+01 4.18253e+01 81.020  4.24393e-01  2.68545e+00  0.00000e+00 0.00000e+00 4.93687e+01 81.020  7.54341e+00 81.020  0.7868 
1 1 1 10 25 13 o 12 5.93594e+01 2.57576e+01 4.51006e+01 256.710 -5.98680e-01 -2.53467e+00 0.00000e+00 0.00000e+00 2.55121e+01 256.710 1.95885e+01 76.711  0.7759 
1 1 1 10 25 14 o 2  5.76426e+01 2.54188e+01 2.91653e+01 226.995 -1.09514e+00 -1.17420e+00 0.00000e+00 0.00000e+00 2.61075e+01 226.995 3.05784e+00 46.995  0.6212 
1 1 1 10 25 15 o 19 6.67269e+01 2.73304e+01 1.46347e+01 197.583 -8.75287e-01 -2.77377e-01 0.00000e+00 0.00000e+00 2.85964e+01 197.583 1.39617e+01 197.583 0.4167 
1 1 1 10 25 16 o 12 5.60355e+01 2.52336e+01 3.52412e+01 51.952  1.25772e+00  1.60703e+00  0.00000e+00 0.00000e+00 2.66130e+01 51.952  8.62823e+00 231.952 0.7043 
1 1 1 10 25 17 o 18 5.93524e+01 2.63950e+01 1.30833e+01 123.416 -4.63952e-01 7.03188e-01  0.00000e+00 0.00000e+00 2.32894e+01 123.416 1.02061e+01 123.416 0.3878 
1 1 1 10 25 18 o 7  8.70721e+01 3.48811e+01 3.37920e+01 46.533  1.56986e+00  1.65619e+00  0.00000e+00 0.00000e+00 6.88017e+01 46.533  3.50097e+01 46.533  0.7391 
1 1 1 10 25 19 o 10 7.01528e+01 2.94287e+01 6.67710e+00 353.759 4.73079e-01  -5.17391e-02 0.00000e+00 0.00000e+00 1.94528e+01 353.759 1.27757e+01 353.759 0.2315 
1 1 1 10 25 20 f 0  7.97908e+01 2.79769e+01 3.72393e+01 194.435 -3.26608e+00 -8.40725e-01 0.00000e+00 0.00000e+00 7.09270e+01 194.435 3.36877e+01 194.435 0.8342 
1 1 1 10 25 21 o 18 4.03427e+01 1.97237e+01 1.99381e+01 181.500 -1.58428e+00 -4.14923e-02 0.00000e+00 0.00000e+00 2.08954e+01 181.500 9.57223e-01 181.500 0.6164 
1 1 1 10 25 22 o 5  6.05449e+01 2.57727e+01 1.73530e+01 261.663 -2.13595e-01 -1.45758e+00 0.00000e+00 0.00000e+00 4.18845e+01 261.663 2.45315e+01 261.663 0.5894 
1 1 1 10 25 23 o 4  4.11681e+01 2.02189e+01 8.06274e+00 66.486  2.75378e-01  6.32918e-01  0.00000e+00 0.00000e+00 1.44740e+01 66.486  6.41126e+00 66.486  0.3261 
1 1 1 10 26 0  o 8  3.45120e+01 2.38134e+01 1.17488e+01 0.000   1.65769e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.19006e+00 180.000 1.49389e+01 180.000 0.1643 
1 1 1 10 26 1  o 19 5.81805e+01 2.50234e+01 5.23733e+01 26.108  1.84595e+00  9.04656e-01  0.00000e+00 0.00000e+00 9.71676e+00 26.108  4.26565e+01 206.108 0.7067 
1 1 1 10 26 2  o 18 7.75025e+01 2.72801e+01 7.65446e+01 238.768 -2.07274e+00 -3.41813e+00 0.00000e+00 0.00000e+00 2.45832e+01 238.768 5.19614e+01 58.768  0.8634 
1 1 1 10 26 3  o 6  1.08092e+02 2.67798e+01 1.07801e+02 260.825 -1.26693e+00 -7.84409e+00 0.00000e+00 0.00000e+00 4.50886e+01 260.825 6.27124e+01 80.825  0.9348 
1 1 1 10 26 4  o 6  6.82902e+01 2.63705e+01 5.08894e+01 32.781  2.00941e+00  1.29403e+00  0.00000e+00 0.00000e+00 2.70041e+01 32.781  2.38853e+01 212.781 0.7525 
1 1 1 10 26 5  o 14 2.11369e+02 2.22350e+01 1.25113e+02 81.936  3.16875e+00  2.23667e+01  0.00000e+00 0.00000e+00 1.88820e+02 81.936  6.37071e+01 81.936  0.9776 
1 1 1 10 26 6  o 6  1.56519e+02 2.53783e+01 5.95498e+01 243.715 -3.20022e+00 -6.47954e+00 0.00000e+00 0.00000e+00 1.61730e+02 243.715 1.02180e+02 243.715 0.9280 
1 1 1 10 26 7  o 15 6.37765e+01 2.57866e+01 1.35898e+01 258.928 -1.35099e-01 -6.90388e-01 0.00000e+00 0.00000e+00 1.87383e+01 258.928 5.14849e+00 258.928 0.3316 
1 1 1 10 26 8  o 13 1.18228e+02 2.06672e+01 6.02593e+01 79.410  1.30525e+00  6.98160e+00  0.00000e+00 0.00000e+00 1.07831e+02 79.410  4.75717e+01 79.410  0.9267 
1 1 1 10 26 9  o 8  9.47251e+01 3.36016e+01 6.73905e+01 214.659 -3.38701e+00 -2.34172e+00 0.00000e+00 0.00000e+00 5.92865e+01 214.659 8.10400e+00 34.659  0.8679 
1 1 1 10 26 10 o 9  3.72712e+01 1.75775e+01 3.72449e+01 318.423 1.27705e+00  -1.13291e+00 0.00000e+00 0.00000e+00 1.21277e-01 138.423 3.73662e+01 138.423 0.6433 
1 1 1 10 26 11 o 7  1.51610e+02 2.28976e+01 8.14937e+01 359.741 1.30584e+01  -5.90482e-02 0.00000e+00 0.00000e+00 1.45260e+02 359.741 6.37665e+01 359.741 0.9609 
1 1 1 10 26 12 o 4  4.47344e+01 2.02554e+01 3.18754e+01 225.632 -1.20769e+00 -1.23462e+00 0.00000e+00 0.00000e+00 1.34688e+01 225.632 1.84067e+01 45.632  0.6475 
1 1 1 10 26 13 o 12 5.24458e+01 2.38376e+01 3.35828e+01 118.180 -8.99233e-01 1.67847e+00  0.00000e+00 0.00000e+00 2.27171e+01 118.180 1.08657e+01 298.180 0.6814 
1 1 1 10 26 14 o 5  5.74836e+01 2.53112e+01 3.80332e+01 126.174 -1.32912e+00 1.81777e+00  0.00000e+00 0.00000e+00 2.89923e+01 126.174 9.04086e+00 306.174 0.7351 
1 1 1 10 26 15 o 15 4.08019e+01 2.01194e+01 2.12140e+01 248.518 -4.59774e-01 -1.16828e+00 0.00000e+00 0.00000e+00 1.33155e+01 248.518 7.89846e+00 68.518  0.5296 
1 1 1 10 26 16 o 6  6.26913e+01 2.70387e+01 6.96236e+00 44.408  3.50253e-01  3.43093e-01  0.00000e+00 0.00000e+00 1.70719e+01 44.408  1.01096e+01 44.408  0.2381 
1 1 1 10 26 17 o 11 6.46629e+01 2.78556e+01 6.42331e+00 113.997 -1.77379e-01 3.98450e-01  0.00000e+00 0.00000e+00 1.59472e+01 113.997 9.52386e+00 113.997 0.2130 
1 1 1 10 26 18 o 7  5.33468e+01 2.58431e+01 1.25875e+01 339.991 8.10226e-01  -2.95034e-01 0.00000e+00 0.00000e+00 2.19743e+01 339.991 9.38675e+00 339.991 0.3955 
1 1 1 10 26 19 o 6  6.34496e+01 2.80564e+01 1.27664e+01 20.503  9.11866e-01  3.40985e-01  0.00000e+00 0.00000e+00 3.30765e+01 20.503  2.03101e+01 20.503  0.4369 
1 1 1 10 26 20 o 1  4.64276e+01 2.19036e+01 1.76882e+01 198.575 -1.35554e+00 -4.55543e-01 0.00000e+00 0.00000e+00 2.71524e+01 198.575 9.46419e+00 198.575 0.5784 
1 1 1 10 26 21 o 18 6.17315e+01 2.73298e+01 1.04486e+01 155.768 -7.67669e-01 3.45528e-01  0.00000e+00 0.00000e+00 2.99193e+01 155.768 1.94707e+01 155.768 0.3876 
1 1 1 10 27 0  o 7  3.53509e+01 2.51723e+01 6.48423e+00 180.000 -1.18834e-01 0.00000e+00  0.00000e+00 0.00000e+00 9.12385e-03 180.000 6.47511e+00 0.000   0.1183 
1 1 1 10 27 1  o 9  8.28475e+01 3.12472e+01 1.00342e+02 167.184 -5.69023e+00 1.29444e+00  0.00000e+00 0.00000e+00 1.67332e+01 167.184 8.36083e+01 347.184 0.9097 
1 1 1 10 27 2  o 15 5.42460e+01 2.26770e+01 7.62928e+00 16.883  3.71228e-01  1.12666e-01  0.00000e+00 0.00000e+00 8.42787e+00 16.883  7.98593e-01 16.883  0.1904 
1 1 1 10 27 3  o 8  7.01322e+01 2.68111e+01 5.02707e+01 246.814 -1.13040e+00 -2.63917e+00 0.00000e+00 0.00000e+00 3.70560e+01 246.814 1.32147e+01 66.814  0.8000 
1 1 1 10 27 4  f 0  4.73456e+01 2.18975e+01 2.47092e+01 218.802 -8.72940e-01 -7.01908e-01 0.00000e+00 0.00000e+00 1.12680e+01 218.802 1.34412e+01 38.802  0.4873 
1 1 1 10 27 5  o 7  7.94796e+01 2.96683e+01 1.66085e+01 211.139 -9.03074e-01 -5.45598e-01 0.00000e+00 0.00000e+00 4.12202e+01 211.139 2.46117e+01 211.139 0.4656 
1 1 1 10 27 6  o 6  7.01457e+01 2.73177e+01 4.88186e+01 356.408 2.97016e+00  -1.86449e-01 0.00000e+00 0.00000e+00 4.00245e+01 356.408 8.79412e+00 176.408 0.8082 
1 1 1 10 27 7  o 17 5.64754e+01 2.44836e+01 3.69802e+01 339.485 2.00086e+00  -7.48669e-01 0.00000e+00 0.00000e+00 2.68581e+01 339.485 1.01221e+01 159.485 0.7189 
1 1 1 10 27 8  o 19 8.70663e+01 2.41356e+01 5.09460e+01 132.295 -3.00969e+00 3.30822e+00  0.00000e+00 0.00000e+00 6.99093e+01 132.295 1.89633e+01 132.295 0.8795 
1 1 1 10 27 9  o 14 5.54792e+01 2.21122e+01 9.67828e+00 85.060  5.22386e-02  6.04358e-01  0.00000e+00 0.00000e+00 1.58371e+01 85.060  6.15879e+00 85.060  0.2902 
1 1 1 10 27 10 o 5  5.27270e+01 2.16556e+01 2.65852e+01 314.157 1.15797e+00  -1.19256e+00 0.00000e+00 0.00000e+00 2.66347e+01 314.157 4.94800e-02 314.157 0.6338 
1 1 1 10 27 11 o 2  6.51480e+01 2.35743e+01 3.68975e+01 170.170 -2.63329e+00 4.56244e-01  0.00000e+00 0.00000e+00 4.47263e+01 170.170 7.82886e+00 170.170 0.7825 
1 1 1 10 27 12 o 14 7.09770e+01 2.46314e+01 1.70889e+01 314.118 9.21284e-01  -9.50107e-01 0.00000e+00 0.00000e+00 4.57037e+01 314.118 2.86148e+01 314.118 0.5494 
1 1 1 10 27 13 o 12 4.73559e+01 2.13366e+01 1.77291e+01 299.948 5.73471e-01  -9.95356e-01 0.00000e+00 0.00000e+00 2.03833e+01 299.948 2.65425e+00 299.948 0.4966 
1 1 1 10 27 14 o 7  6.45166e+01 2.67826e+01 2.61839e+00 221.776 -1.42671e-01 -1.27454e-01 0.00000e+00 0.00000e+00 7.40531e+00 221.776 4.78692e+00 221.776 0.0952 
1 1 1 10 27 15 o 1  4.17948e+01 2.03680e+01 1.67371e+01 32.927  8.91191e-01  5.77142e-01  0.00000e+00 0.00000e+00 1.54016e+01 32.927  1.33544e+00 212.927 0.4678 
1 1 1 10 27 16 o 1  5.21359e+01 2.44141e+01 4.03948e+01 94.217  -2.14495e-01 2.90919e+00  0.00000e+00 0.00000e+00 2.90136e+01 94.217  1.13813e+01 274.217 0.8037 
1 1 1 10 27 17 o 13 6.40461e+01 2.95731e+01 8.97932e+00 137.912 -4.39996e-01 3.97405e-01  0.00000e+00 0.00000e+00 2.14185e+01 137.912 1.24392e+01 137.912 0.2841 
1 1 1 10 27 18 o 12 7.18415e+01 3.05310e+01 2.63317e+01 307.601 1.19116e+00  -1.54669e+00 0.00000e+00 0.00000e+00 5.71758e+01 307.601 3.08441e+01 307.601 0.6898 
1 1 1 10 27 19 o 7  5.25559e+01 2.46919e+01 1.75519e+01 199.997 -1.28179e+00 -4.66467e-01 0.00000e+00 0.00000e+00 3.25708e+01 199.997 1.50189e+01 199.997 0.5607 
1 1 1 10 27 20 o 12 6.16800e+01 2.81503e+01 1.01459e+01 207.378 -6.82162e-01 -3.53260e-01 0.00000e+00 0.00000e+00 2.78170e+01 207.378 1.76711e+01 207.378 0.3583 
1 1 1 10 28 0  o 6  5.64303e+01 3.60318e+01 5.57763e+00 0.000   1.50747e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.92400e+00 0.000   2.34637e+00 0.000   0.1496 
1 1 1 10 28 1  o 2  5.27185e+01 2.33027e+01 2.80156e+01 212.358 -1.30037e+00 -8.23894e-01 0.00000e+00 0.00000e+00 2.30637e+01 212.358 4.95190e+00 32.358  0.6057 
1 1 1 10 28 2  f 0  4.76399e+01 2.13626e+01 1.62905e+01 43.100  6.35970e-01  5.95125e-01  0.00000e+00 0.00000e+00 1.41242e+01 43.100  2.16628e+00 223.100 0.3988 
1 1 1 10 28 3  o 18 3.99307e+01 1.94000e+01 4.30518e+01 69.739  7.18625e-01  1.94674e+00  0.00000e+00 0.00000e+00 2.37247e+00 69.739  4.06793e+01 249.739 0.7097 
1 1 1 10 28 4  o 11 7.94337e+01 2.84668e+01 7.64958e+01 109.536 -1.78035e+00 5.01748e+00  0.00000e+00 0.00000e+00 3.83424e+01 109.536 3.81534e+01 289.536 0.9004 
1 1 1 10 28 5  o 13 5.75477e+01 2.58968e+01 5.73694e+01 269.897 -5.74109e-03 -3.19880e+00 0.00000e+00 0.00000e+00 1.89120e+01 269.897 3.84574e+01 89.897  0.8237 
1 1 1 10 28 6  o 5  6.24385e+01 2.61141e+01 3.85506e+01 262.883 -2.94164e-01 -2.35609e+00 0.00000e+00 0.00000e+00 3.70822e+01 262.883 1.46837e+00 82.883  0.7506 
1 1 1 10 28 7  o 12 6.27617e+01 2.60552e+01 4.26518e+01 69.430  9.26319e-01  2.46834e+00  0.00000e+00 0.00000e+00 3.65124e+01 69.430  6.13936e+00 249.430 0.7791 
1 1 1 10 28 8  o 1  6.15692e+01 2.35395e+01 2.88504e+01 260.736 -3.17768e-01 -1.94826e+00 0.00000e+00 0.00000e+00 4.05389e+01 260.736 1.16886e+01 260.736 0.6935 
1 1 1 10 28 9  o 16 4.72561e+01 2.06354e+01 3.54485e+01 272.978 1.13063e-01  -2.17297e+00 0.00000e+00 0.00000e+00 2.04440e+01 272.978 1.50046e+01 92.979  0.7246 
1 1 1 10 28 10 o 15 5.00266e+01 2.12501e+01 2.75866e+01 81.875  2.68387e-01  1.87981e+00  0.00000e+00 0.00000e+00 2.82406e+01 81.875  6.54040e-01 81.875  0.6804 
1 1 1 10 28 11 o 6  6.32786e+01 2.36893e+01 3.08521e+00 138.739 -1.94285e-01 1.70450e-01  0.00000e+00 0.00000e+00 1.02858e+01 138.739 7.20056e+00 138.739 0.1282 
1 1 1 10 28 12 o 16 5.50027e+01 2.31045e+01 2.69330e+01 76.803  4.50716e-01  1.92213e+00  0.00000e+00 0.00000e+00 3.63230e+01 76.803  9.39000e+00 76.803  0.6935 
1 1 1 10 28 13 o 16 4.49482e+01 2.06942e+01 4.76837e+00 129.811 -2.04283e-01 2.45091e-01  0.00000e+00 0.00000e+00 7.04837e+00 129.811 2.28000e+00 129.811 0.1575 
1 1 1 10 28 14 o 9  5.78264e+01 2.43039e+01 3.44920e+01 236.184 -1.53806e+00 -2.29612e+00 0.00000e+00 0.00000e+00 4.23496e+01 236.184 7.85761e+00 236.184 0.7909 
1 1 1 10 28 15 o 10 4.32868e+01 2.10197e+01 2.53083e+01 45.894  1.24949e+00  1.28910e+00  0.00000e+00 0.00000e+00 2.31286e+01 45.894  2.17968e+00 225.894 0.6611 
1 1 1 10 28 16 o 14 4.95052e+01 2.35706e+01 1.39185e+01 354.403 1.04729e+00  -1.02639e-01 0.00000e+00 0.00000e+00 2.53172e+01 354.403 1.13988e+01 354.403 0.4646 
1 1 1 10 28 17 o 18 6.47219e+01 3.00304e+01 2.07832e+01 210.498 -1.24504e+00 -7.33322e-01 0.00000e+00 0.00000e+00 4.40346e+01 210.498 2.32514e+01 210.498 0.5822 
1 1 1 10 28 18 f 0  4.56281e+01 2.22177e+01 8.69522e+00 118.226 -3.34427e-01 6.23036e-01  0.00000e+00 0.00000e+00 1.76841e+01 118.226 8.98888e+00 118.226 0.3332 
1 1 1 10 29 0  o 3  5.42586e+01 3.54296e+01 4.74473e+01 180.000 -1.33945e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.05092e+01 180.000 1.69381e+01 0.000   0.8715 
1 1 1 10 29 1  o 15 4.09553e+01 1.96662e+01 3.55228e+01 317.747 1.41190e+00  -1.28261e+00 0.00000e+00 0.00000e+00 1.05335e+01 317.747 2.49893e+01 137.747 0.6820 
1 1 1 10 29 2  o 15 4.80119e+01 2.14685e+01 2.12767e+01 49.666  8.01834e-01  9.44345e-01  0.00000e+00 0.00000e+00 2.02905e+01 49.666  9.86219e-01 229.666 0.5246 
1 1 1 10 29 3  o 17 5.13768e+01 2.32436e+01 1.05871e+01 337.354 5.82395e-01  -2.42975e-01 0.00000e+00 0.00000e+00 1.49469e+01 337.354 4.35981e+00 337.354 0.3008 
1 1 1 10 29 4  o 9  6.10032e+01 2.66289e+01 4.80625e+01 308.873 1.83368e+00  -2.27467e+00 0.00000e+00 0.00000e+00 3.31220e+01 308.873 1.49405e+01 128.873 0.8040 
1 1 1 10 29 5  o 19 4.30150e+01 2.09278e+01 1.65914e+01 38.307  7.16818e-01  5.66250e-01  0.00000e+00 0.00000e+00 1.30157e+01 38.307  3.57573e+00 218.307 0.4149 
1 1 1 10 29 6  o 13 5.49297e+01 2.42007e+01 4.65438e+01 126.978 -1.83304e+00 2.43450e+00  0.00000e+00 0.00000e+00 2.77867e+01 126.978 1.87571e+01 306.978 0.8134 
1 1 1 10 29 7  o 7  5.11416e+01 2.29745e+01 1.79124e+01 187.137 -1.24759e+00 -1.56215e-01 0.00000e+00 0.00000e+00 2.73420e+01 187.137 9.42962e+00 187.137 0.5302 
1 1 1 10 29 8  o 13 5.53458e+01 2.29145e+01 2.28411e+01 276.929 2.09082e-01  -1.72050e+00 0.00000e+00 0.00000e+00 3.73102e+01 276.929 1.44691e+01 276.929 0.6487 
1 1 1 10 29 9  o 17 6.15521e+01 2.35139e+01 1.15696e+01 69.165  3.29423e-01  8.65603e-01  0.00000e+00 0.00000e+00 3.18878e+01 69.165  2.03182e+01 69.165  0.4196 
1 1 1 10 29 10 o 9  6.46506e+01 2.38216e+01 1.36530e+01 166.348 -1.08648e+00 2.63901e-01  0.00000e+00 0.00000e+00 3.95396e+01 166.348 2.58866e+01 166.348 0.4867 
1 1 1 10 29 11 o 6  5.16953e+01 2.20941e+01 1.86235e+01 12.304  1.36655e+00  2.98066e-01  0.00000e+00 0.00000e+00 3.14638e+01 12.304  1.28403e+01 12.304  0.5701 
1 1 1 10 29 12 o 10 6.35067e+01 2.44705e+01 2.78481e+01 302.849 1.30499e+00  -2.02116e+00 0.00000e+00 0.00000e+00 5.40480e+01 302.849 2.61999e+01 302.849 0.7544 
1 1 1 10 29 13 o 15 4.62589e+01 2.11028e+01 2.00595e+01 204.242 -1.51885e+00 -6.83944e-01 0.00000e+00 0.00000e+00 3.04348e+01 204.242 1.03753e+01 204.242 0.6345 
1 1 1 10 29 14 o 6  5.53915e+01 2.39772e+01 3.13880e+01 43.570  1.86176e+00  1.77110e+00  0.00000e+00 0.00000e+00 4.27134e+01 43.570  1.13254e+01 43.570  0.7724 
1 1 1 10 29 15 o 12 5.23505e+01 2.42263e+01 1.74090e+01 79.873  2.40879e-01  1.34863e+00  0.00000e+00 0.00000e+00 3.39519e+01 79.873  1.65429e+01 79.873  0.5623 
1 1 1 10 29 16 o 3  5.03618e+01 2.38715e+01 5.56132e+00 323.463 3.56124e-01  -2.63874e-01 0.00000e+00 0.00000e+00 1.35981e+01 323.463 8.03682e+00 323.463 0.2163 
1 1 1 10 30 0  o 16 4.18854e+01 2.91492e+01 1.03872e+01 0.000   3.29828e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.22983e+01 0.000   1.91105e+00 0.000   0.3184 
1 1 1 10 30 1  o 8  4.67929e+01 2.13048e+01 3.06150e+01 13.685  2.03358e+00  4.95153e-01  0.00000e+00 0.00000e+00 2.61152e+01 13.685  4.49980e+00 193.685 0.7125 
1 1 1 10 30 2  o 11 5.87126e+01 2.42045e+01 3.99026e+01 202.330 -2.71769e+00 -1.11628e+00 0.00000e+00 0.00000e+00 4.06135e+01 202.330 7.10953e-01 202.330 0.8053 
1 1 1 10 30 3  o 3  5.05522e+01 2.30120e+01 1.26592e+01 172.504 -8.45397e-01 1.11244e-01  0.00000e+00 0.00000e+00 2.11094e+01 172.504 8.45013e+00 172.504 0.3918 
1 1 1 10 30 4  o 4  4.65143e+01 2.21784e+01 3.05684e+01 289.774 6.68259e-01  -1.85885e+00 0.00000e+00 0.00000e+00 2.45449e+01 289.774 6.02354e+00 109.774 0.6937 
1 1 1 10 30 5  o 9  5.58077e+01 2.47264e+01 5.24856e+01 299.308 1.73157e+00  -3.08460e+00 0.00000e+00 0.00000e+00 2.80586e+01 299.308 2.44270e+01 119.308 0.8430 
1 1 1 10 30 6  o 19 4.77039e+01 2.24083e+01 4.01919e+01 76.830  5.92936e-01  2.53391e+00  0.00000e+00 0.00000e+00 2.33326e+01 76.830  1.68593e+01 256.830 0.7757 
1 1 1 10 30 7  o 19 7.00419e+01 2.76407e+01 2.78052e+01 117.264 -9.62165e-01 1.86704e+00  0.00000e+00 0.00000e+00 5.82803e+01 117.264 3.04752e+01 117.264 0.7136 
1 1 1 10 30 8  o 14 4.38152e+01 2.07661e+01 8.21670e+00 219.771 -4.67341e-01 -3.88974e-01 0.00000e+00 0.00000e+00 1.38105e+01 219.771 5.59384e+00 219.771 0.2908 
1 1 1 10 30 9  o 11 7.59669e+01 2.53320e+01 2.55146e+01 48.921  1.62002e+00  1.85845e+00  0.00000e+00 0.00000e+00 7.48871e+01 48.921  4.93725e+01 48.921  0.7612 
1 1 1 10 30 10 o 15 5.45829e+01 2.27652e+01 2.32794e+01 332.889 1.81379e+00  -9.28611e-01 0.00000e+00 0.00000e+00 4.37487e+01 332.889 2.04693e+01 332.889 0.7039 
1 1 1 10 30 11 o 18 4.74934e+01 2.11737e+01 2.11213e+01 172.256 -1.74684e+00 2.37559e-01  0.00000e+00 0.00000e+00 3.34181e+01 172.256 1.22968e+01 172.256 0.6547 
1 1 1 10 30 12 o 16 5.10165e+01 2.22047e+01 1.17127e+01 201.687 -9.26220e-01 -3.68353e-01 0.00000e+00 0.00000e+00 2.83592e+01 201.687 1.66466e+01 201.687 0.4452 
1 1 1 10 30 13 o 18 5.73014e+01 2.38977e+01 2.29336e+01 269.946 -1.88387e-03 -1.99578e+00 0.00000e+00 0.00000e+00 4.79776e+01 269.946 2.50440e+01 269.946 0.6971 
1 1 1 10 30 14 o 19 4.20386e+01 1.98346e+01 1.99086e+01 95.955  -1.80932e-01 1.73445e+00  0.00000e+00 0.00000e+00 2.89999e+01 95.955  9.09131e+00 95.955  0.6509 
1 1 1 10 31 0  o 8  3.07618e+01 2.25162e+01 2.43877e+01 0.000   8.53971e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.30848e+01 0.000   1.13029e+01 180.000 0.6931 
1 1 1 10 31 1  o 12 3.74446e+01 1.84383e+01 2.43155e+01 189.205 -1.74389e+00 -2.82590e-01 0.00000e+00 0.00000e+00 1.88305e+01 189.205 5.48507e+00 9.205   0.6555 
1 1 1 10 31 2  o 1  5.30431e+01 2.33165e+01 6.01021e+00 116.269 -2.03028e-01 4.11356e-01  0.00000e+00 0.00000e+00 1.48490e+01 116.269 8.83876e+00 116.269 0.2235 
1 1 1 10 31 3  o 3  6.12998e+01 2.61032e+01 1.30496e+01 120.236 -4.87858e-01 8.37004e-01  0.00000e+00 0.00000e+00 3.39443e+01 120.236 2.08947e+01 120.236 0.4352 
1 1 1 10 31 4  o 18 6.25572e+01 2.70934e+01 2.86497e+01 192.999 -1.99878e+00 -4.61424e-01 0.00000e+00 0.00000e+00 4.92856e+01 192.999 2.06360e+01 192.999 0.7060 
1 1 1 10 31 5  o 9  3.96983e+01 1.93833e+01 4.48203e+00 163.589 -3.05402e-01 8.99487e-02  0.00000e+00 0.00000e+00 6.55501e+00 163.589 2.07298e+00 163.589 0.1572 
1 1 1 10 31 6  o 13 3.39935e+01 1.70206e+01 2.26351e+01 288.789 5.81542e-01  -1.70932e+00 0.00000e+00 0.00000e+00 1.73415e+01 288.789 5.29365e+00 108.789 0.6631 
1 1 1 10 31 7  o 12 5.53438e+01 2.46906e+01 2.06581e+01 323.593 1.28597e+00  -9.48336e-01 0.00000e+00 0.00000e+00 4.03364e+01 323.593 1.96782e+01 323.593 0.6194 
1 1 1 10 31 8  o 5  6.03625e+01 2.56836e+01 2.36394e+01 89.731  8.78134e-03  1.87023e+00  0.00000e+00 0.00000e+00 4.91617e+01 89.731  2.55223e+01 89.731  0.6753 
1 1 1 10 31 9  o 1  5.16165e+01 2.23391e+01 5.87456e+00 359.770 4.97061e-01  -1.99409e-03 0.00000e+00 0.00000e+00 1.64533e+01 359.770 1.05787e+01 359.770 0.2412 
1 1 1 10 31 10 o 16 3.83239e+01 1.82863e+01 2.35154e+01 327.752 1.69120e+00  -1.06696e+00 0.00000e+00 0.00000e+00 2.46774e+01 327.752 1.16200e+00 327.752 0.6977 
1 1 1 10 31 11 o 11 4.53202e+01 2.05718e+01 1.45340e+01 203.882 -1.17953e+00 -5.22249e-01 0.00000e+00 0.00000e+00 2.97896e+01 203.882 1.52556e+01 203.882 0.5398 
1 1 1 10 32 0  o 18 4.21601e+01 2.99093e+01 1.28117e+01 180.000 -4.77062e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.12012e+01 180.000 8.38960e+00 180.000 0.4439 
1 1 1 10 32 1  o 10 4.90979e+01 2.28440e+01 2.70985e+01 193.085 -2.04395e+00 -4.75091e-01 0.00000e+00 0.00000e+00 3.65679e+01 193.085 9.46947e+00 193.085 0.7133 
1 1 1 10 32 2  o 1  5.87886e+01 2.46398e+01 1.82809e+01 250.650 -5.00073e-01 -1.42398e+00 0.00000e+00 0.00000e+00 4.57219e+01 250.650 2.74410e+01 250.650 0.5984 
1 1 1 10 32 3  o 6  4.83872e+01 2.31458e+01 1.93173e+01 18.287  1.36967e+00  4.52636e-01  0.00000e+00 0.00000e+00 3.19464e+01 18.287  1.26291e+01 18.287  0.5816 
1 1 1 10 32 4  o 4  5.75846e+01 2.61652e+01 3.56960e+01 59.268  1.36191e+00  2.29076e+00  0.00000e+00 0.00000e+00 4.64587e+01 59.268  1.07627e+01 59.268  0.7818 
1 1 1 10 32 5  f 0  4.65496e+01 2.20673e+01 2.77141e+01 93.885  -1.47586e-01 2.17305e+00  0.00000e+00 0.00000e+00 3.40067e+01 93.885  6.29260e+00 93.885  0.7250 
1 1 1 10 32 6  o 10 5.14501e+01 2.37765e+01 1.91997e+01 215.020 -1.25751e+00 -8.81170e-01 0.00000e+00 0.00000e+00 3.78696e+01 215.020 1.86699e+01 215.020 0.6048 
1 1 1 10 32 7  o 2  3.96371e+01 1.93472e+01 2.79194e+01 263.908 -2.50049e-01 -2.34282e+00 0.00000e+00 0.00000e+00 2.66652e+01 263.908 1.25422e+00 83.908  0.7484 
1 1 1 10 32 8  o 14 4.13427e+01 1.99350e+01 6.28019e+00 313.425 3.62855e-01  -3.83371e-01 0.00000e+00 0.00000e+00 1.32032e+01 313.425 6.92305e+00 313.425 0.2551 
1 1 1 11 0  2  o 2  1.01014e+03 4.56627e+01 3.82837e+02 180.000 -2.13392e+01 0.00000e+00  0.00000e+00 0.00000e+00 6.24314e+02 180.000 2.41477e+02 180.000 1.0000 
1 1 1 11 0  3  o 10 3.02185e+02 2.25939e+01 4.19171e+02 90.000  4.43467e-16  7.24236e+00  0.00000e+00 0.00000e+00 1.17499e+02 270.000 5.36670e+02 270.000 1.0000 
1 1 1 11 0  4  o 11 5.57257e+02 2.90802e+01 2.16865e+02 0.000   6.76287e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.40427e+02 0.000   1.23563e+02 0.000   1.0000 
1 1 1 11 0  5  o 11 1.45937e+02 2.45935e+01 1.63967e+02 270.000 -1.03650e-16 -1.69273e+00 0.00000e+00 0.00000e+00 2.72715e+01 90.000  1.91239e+02 90.000  0.9345 
1 1 1 11 0  6  f 0  1.00455e+02 2.05391e+01 9.38061e+01 0.000   6.58938e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.54804e+01 180.000 1.29286e+02 180.000 0.5777 
1 1 1 11 0  7  f 0  2.39689e+02 1.56780e+01 1.59068e+02 270.000 -1.56565e-16 -2.55690e+00 0.00000e+00 0.00000e+00 7.97500e+01 270.000 7.93182e+01 90.000  0.9880 
1 1 1 11 0  8  o 7  2.04172e+02 1.61904e+01 5.90179e+01 180.000 -8.81606e-01 0.00000e+00  0.00000e+00 0.00000e+00 8.71452e+01 180.000 2.81273e+01 180.000 0.7072 
1 1 1 11 0  9  o 8  1.93303e+02 1.66898e+01 1.97163e+02 90.000  1.71196e-16  2.79584e+00  0.00000e+00 0.00000e+00 2.11300e+00 270.000 1.99276e+02 270.000 0.9926 
1 1 1 11 0  10 o 12 1.36808e+02 1.90383e+01 6.48638e+01 180.000 -6.74974e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.73410e+01 180.000 4.75229e+01 0.000   0.5882 
1 1 1 11 0  11 o 17 1.29248e+02 2.99898e+01 9.16740e+01 270.000 -6.25230e-17 -1.02108e+00 0.00000e+00 0.00000e+00 1.05642e+01 270.000 8.11098e+01 90.000  0.7703 
1 1 1 11 0  12 o 12 2.36358e+02 2.36223e+01 1.16425e+01 180.000 -2.21615e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.15913e+01 180.000 2.99489e+01 180.000 0.2181 
1 1 1 11 0  13 o 6  4.92669e+01 2.80030e+01 3.03810e+01 90.000  7.03993e-18  1.14971e-01  0.00000e+00 0.00000e+00 2.45194e+01 270.000 5.49004e+01 270.000 0.1145 
1 1 1 11 0  14 o 18 2.38653e+02 1.84933e+01 4.96020e+01 180.000 -9.68475e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.37221e+02 180.000 8.76187e+01 180.000 0.7480 
1 1 1 11 0  15 o 13 3.30671e+02 1.86808e+01 1.06408e+02 90.000  1.42961e-16  2.33472e+00  0.00000e+00 0.00000e+00 2.35704e+02 90.000  1.29297e+02 90.000  0.9814 
1 1 1 11 0  16 o 19 7.40332e+02 2.55637e+01 3.48613e+02 180.000 -1.87964e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.37960e+02 180.000 8.93465e+01 180.000 1.0000 
1 1 1 11 0  17 o 7  5.81220e+02 2.24063e+01 2.43629e+02 270.000 -6.50877e-16 -1.06296e+01 0.00000e+00 0.00000e+00 3.79055e+02 270.000 1.35426e+02 270.000 1.0000 
1 1 1 11 0  19 f 0  3.89516e+01 2.62199e+01 7.22962e+01 90.000  1.94410e-17  3.17496e-01  0.00000e+00 0.00000e+00 5.92400e+01 270.000 1.31536e+02 270.000 0.3072 
1 1 1 11 0  20 o 14 1.37006e+02 3.76977e+01 7.66644e+00 180.000 -1.18769e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.01776e+01 180.000 2.51113e+00 180.000 0.1182 
1 1 1 11 0  21 o 3  2.55112e+02 2.49208e+01 1.00313e+02 90.000  2.16666e-16  3.53843e+00  0.00000e+00 0.00000e+00 1.83199e+02 90.000  8.28868e+01 90.000  0.9983 
1 1 1 11 0  22 o 9  9.90636e+01 4.34859e+01 9.85470e+00 0.000   1.60498e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.88558e+00 0.000   1.96911e+00 180.000 0.1591 
1 1 1 11 0  23 f 0  1.05018e+02 4.60176e+01 1.17291e+01 270.000 -1.39149e-17 -2.27247e-01 0.00000e+00 0.00000e+00 1.49754e+01 270.000 3.24626e+00 270.000 0.2234 
1 1 1 11 0  24 o 13 5.24804e+01 3.39724e+01 1.59461e+01 180.000 -1.92676e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.44195e+00 0.000   2.03881e+01 0.000   0.1903 
1 1 1 11 0  25 o 16 1.66591e+02 3.59884e+01 1.18287e+02 90.000  2.51585e-16  4.10870e+00  0.00000e+00 0.00000e+00 7.58651e+01 90.000  4.24220e+01 270.000 0.9995 
1 1 1 11 0  26 o 13 5.73092e+01 3.96942e+01 8.24160e+01 180.000 -1.29493e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.41733e+01 0.000   1.06589e+02 0.000   0.8604 
1 1 1 11 0  27 o 7  6.75406e+01 3.87251e+01 6.28173e+01 270.000 -8.89746e-17 -1.45307e+00 0.00000e+00 0.00000e+00 9.64835e+00 270.000 5.31690e+01 90.000  0.8963 
1 1 1 11 0  28 o 18 3.30298e+01 2.37215e+01 2.02657e+01 0.000   3.74177e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.92760e+00 180.000 2.61933e+01 180.000 0.3576 
1 1 1 11 0  29 o 13 3.01961e+01 2.21597e+01 5.23365e+00 270.000 -5.76191e-18 -9.40991e-02 0.00000e+00 0.00000e+00 1.74515e+00 90.000  6.97881e+00 90.000  0.0938 
1 1 1 11 0  30 o 11 5.20861e+01 3.42160e+01 1.96647e+01 0.000   5.59602e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.33842e+01 0.000   6.28052e+00 180.000 0.5077 
1 1 1 11 0  31 o 6  4.32153e+01 3.01208e+01 1.97617e+00 270.000 -3.80060e-18 -6.20686e-02 0.00000e+00 0.00000e+00 1.42380e+00 270.000 5.52370e-01 90.000  0.0620 
1 1 1 11 0  32 o 10 4.16381e+01 2.91783e+01 1.87686e+01 0.000   6.87157e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.32404e+01 0.000   5.52819e+00 180.000 0.5962 
1 1 1 11 0  33 o 1  5.70573e+01 3.70950e+01 4.06342e+00 270.000 -1.03277e-17 -1.68664e-01 0.00000e+00 0.00000e+00 8.43298e+00 270.000 4.36956e+00 270.000 0.1671 
1 1 1 11 0  34 f 0  3.67088e+01 2.64451e+01 2.60626e+01 180.000 -1.18051e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.44394e+01 180.000 1.16232e+01 0.000   0.8276 
1 1 1 11 1  2  o 12 2.78090e+02 1.55331e+01 6.22834e+01 67.084  7.77221e-01  1.83853e+00  0.00000e+00 0.00000e+00 1.31111e+02 67.084  6.88271e+01 67.084  0.6971 
1 1 1 11 1  3  o 2  3.22782e+02 1.59725e+01 3.14697e+01 23.382  1.06432e+00  4.60165e-01  0.00000e+00 0.00000e+00 1.29756e+02 23.382  9.82861e+01 23.382  0.5001 
1 1 1 11 1  4  o 8  1.25180e+02 1.61538e+01 1.03887e+02 12.934  1.42907e+00  3.28183e-01  0.00000e+00 0.00000e+00 3.02765e+01 192.934 1.34163e+02 192.934 0.5877 
1 1 1 11 1  5  o 3  1.80443e+02 1.50667e+01 1.24729e+02 2.137   3.19373e+00  1.19198e-01  0.00000e+00 0.00000e+00 2.42908e+01 2.137   1.00438e+02 182.137 0.8235 
1 1 1 11 1  6  o 10 2.35509e+02 1.25810e+01 1.93311e+02 249.765 -2.20676e+00 -5.98645e+00 0.00000e+00 0.00000e+00 2.40835e+01 249.765 1.69228e+02 69.765  0.9179 
1 1 1 11 1  7  o 11 9.56945e+01 1.61858e+01 2.12090e+01 74.882  7.02242e-02  2.59942e-01  0.00000e+00 0.00000e+00 8.32652e+00 254.882 2.95355e+01 254.882 0.1334 
1 1 1 11 1  8  o 5  3.45874e+02 1.18727e+01 2.41017e+02 156.912 -1.11960e+01 4.77262e+00  0.00000e+00 0.00000e+00 9.45640e+01 156.912 1.46453e+02 336.912 0.9580 
1 1 1 11 1  9  o 19 5.07415e+02 1.38534e+01 2.36968e+02 23.416  1.61021e+01  6.97325e+00  0.00000e+00 0.00000e+00 2.64212e+02 23.416  2.72437e+01 23.416  0.9711 
1 1 1 11 1  10 o 11 5.73911e+02 1.48977e+01 2.64129e+02 15.951  2.20721e+01  6.30883e+00  0.00000e+00 0.00000e+00 3.09499e+02 15.951  4.53704e+01 15.951  0.9780 
1 1 1 11 1  11 o 4  3.21366e+02 1.65649e+01 1.44785e+02 254.331 -2.19721e+00 -7.83299e+00 0.00000e+00 0.00000e+00 1.64387e+02 254.331 1.96021e+01 254.331 0.9364 
1 1 1 11 1  12 o 19 1.45410e+02 1.74134e+01 4.52209e+01 63.422  4.72349e-01  9.44150e-01  0.00000e+00 0.00000e+00 2.47726e+01 63.422  2.04483e+01 243.422 0.4658 
1 1 1 11 1  13 o 14 4.55437e+02 1.57263e+01 2.50857e+02 310.805 1.15903e+01  -1.34254e+01 0.00000e+00 0.00000e+00 2.09227e+02 310.805 4.16292e+01 130.804 0.9714 
1 1 1 11 1  14 o 9  5.04792e+02 1.44191e+01 1.63701e+02 260.493 -1.68322e+00 -1.00513e+01 0.00000e+00 0.00000e+00 3.38206e+02 260.493 1.74505e+02 260.493 0.9496 
1 1 1 11 1  15 o 13 9.16079e+02 2.43267e+01 4.59294e+02 78.932  1.04051e+01  5.31911e+01  0.00000e+00 0.00000e+00 4.97984e+02 78.932  3.86905e+01 78.932  0.9907 
1 1 1 11 1  16 o 4  2.65792e+02 1.33836e+01 1.52839e+02 161.906 -5.68419e+00 1.85718e+00  0.00000e+00 0.00000e+00 1.04854e+02 161.906 4.79845e+01 341.906 0.9120 
1 1 1 11 1  17 o 14 1.18908e+02 1.89328e+01 8.74687e+01 266.016 -1.07458e-01 -1.54306e+00 0.00000e+00 0.00000e+00 1.00389e+01 86.016  9.75076e+01 86.016  0.6075 
1 1 1 11 1  18 o 18 1.75867e+02 1.61875e+01 8.91926e+01 61.294  1.35128e+00  2.46754e+00  0.00000e+00 0.00000e+00 6.20377e+01 61.294  2.71549e+01 241.294 0.7952 
1 1 1 11 1  20 o 14 1.04933e+02 2.72951e+01 8.84738e+01 307.823 1.28116e+00  -1.65027e+00 0.00000e+00 0.00000e+00 6.12779e+00 127.823 9.46016e+01 127.823 0.7119 
1 1 1 11 1  21 o 10 1.97553e+02 4.05236e+01 1.18171e+02 147.123 -4.49688e+00 2.90658e+00  0.00000e+00 0.00000e+00 8.00795e+01 147.123 3.80912e+01 327.123 0.9010 
1 1 1 11 1  22 o 5  1.11180e+02 2.80680e+01 7.30458e+01 191.579 -2.69313e+00 -5.51810e-01 0.00000e+00 0.00000e+00 2.57948e+01 191.579 4.72511e+01 11.579  0.7896 
1 1 1 11 1  23 o 2  7.14970e+01 2.80395e+01 6.31183e+01 259.517 -3.21191e-01 -1.73586e+00 0.00000e+00 0.00000e+00 9.77041e+00 79.517  7.28887e+01 79.517  0.6552 
1 1 1 11 1  24 o 16 1.83364e+02 4.53477e+01 1.22613e+02 2.537   7.42498e+00  3.28938e-01  0.00000e+00 0.00000e+00 7.39112e+01 2.537   4.87022e+01 182.537 0.9301 
1 1 1 11 1  25 o 4  1.65049e+02 2.88699e+01 8.92768e+01 38.449  4.60227e+00  3.65410e+00  0.00000e+00 0.00000e+00 8.60306e+01 38.449  3.24624e+00 218.449 0.9104 
1 1 1 11 1  26 o 15 8.99130e+01 3.22284e+01 1.62714e+00 101.890 -1.52806e-02 7.25728e-02  0.00000e+00 0.00000e+00 2.31045e+00 101.890 6.83307e-01 101.890 0.0371 
1 1 1 11 1  27 o 17 4.80731e+01 2.24956e+01 1.82413e+01 118.547 -3.18809e-01 5.86015e-01  0.00000e+00 0.00000e+00 3.07024e-02 298.547 1.82720e+01 298.547 0.3163 
1 1 1 11 1  28 o 13 7.71540e+01 2.86758e+01 3.42349e+01 190.177 -2.12542e+00 -3.81526e-01 0.00000e+00 0.00000e+00 3.34417e+01 190.177 7.93226e-01 10.177  0.7223 
1 1 1 11 1  29 o 5  5.09510e+01 2.41350e+01 6.07730e+00 340.191 2.91724e-01  -1.05078e-01 0.00000e+00 0.00000e+00 3.53947e+00 340.191 2.53784e+00 160.191 0.1532 
1 1 1 11 1  30 o 4  6.21675e+01 2.71860e+01 1.79243e+01 39.783  8.46532e-01  7.04878e-01  0.00000e+00 0.00000e+00 1.94856e+01 39.783  1.56124e+00 39.783  0.4812 
1 1 1 11 1  31 o 9  7.23176e+01 2.98013e+01 2.58070e+01 295.025 8.18934e-01  -1.75419e+00 0.00000e+00 0.00000e+00 3.72794e+01 295.025 1.14724e+01 295.025 0.6870 
1 1 1 11 1  32 o 9  6.10426e+01 2.73959e+01 2.33126e+01 207.406 -1.62306e+00 -8.41542e-01 0.00000e+00 0.00000e+00 2.92540e+01 207.406 5.94136e+00 207.406 0.6675 
1 1 1 11 1  33 o 19 7.93309e+01 3.12205e+01 2.88073e+00 268.233 -8.04778e-03 -2.60885e-01 0.00000e+00 0.00000e+00 1.05831e+01 268.233 7.70240e+00 268.233 0.1294 
1 1 1 11 1  34 f 0  5.00661e+01 2.41868e+01 8.51934e+00 320.217 5.82925e-01  -4.85385e-01 0.00000e+00 0.00000e+00 1.51464e+01 320.217 6.62709e+00 320.217 0.3544 
1 1 1 11 2  1  o 12 2.19380e+02 2.14920e+01 9.78042e+01 106.684 -7.00929e-01 2.33869e+00  0.00000e+00 0.00000e+00 6.83272e+01 106.684 2.94769e+01 286.684 0.7585 
1 1 1 11 2  2  o 5  9.37811e+01 1.76064e+01 6.23349e+01 149.046 -5.72417e-01 3.43321e-01  0.00000e+00 0.00000e+00 3.26837e+01 329.046 9.50185e+01 329.046 0.3164 
1 1 1 11 2  3  o 14 3.37122e+02 1.62074e+01 2.03144e+02 291.976 2.90894e+00  -7.20849e+00 0.00000e+00 0.00000e+00 1.11617e+02 291.976 9.15271e+01 111.976 0.9333 
1 1 1 11 2  4  o 15 1.83012e+02 1.54111e+01 1.33739e+02 251.162 -8.87655e-01 -2.60187e+00 0.00000e+00 0.00000e+00 1.10810e+01 251.162 1.22658e+02 71.162  0.7896 
1 1 1 11 2  5  o 10 3.73483e+02 1.68837e+01 2.02731e+02 69.668  3.70194e+00  9.99049e+00  0.00000e+00 0.00000e+00 1.54360e+02 69.668  4.83710e+01 249.668 0.9518 
1 1 1 11 2  6  o 5  1.91053e+02 1.25339e+01 1.14075e+02 11.115  2.98274e+00  5.85975e-01  0.00000e+00 0.00000e+00 4.23572e+01 11.115  7.17179e+01 191.114 0.8129 
1 1 1 11 2  7  o 13 5.11876e+02 1.38345e+01 3.59777e+02 143.602 -1.96669e+01 1.44988e+01  0.00000e+00 0.00000e+00 1.46814e+02 143.602 2.12963e+02 323.602 0.9793 
1 1 1 11 2  8  o 1  1.77493e+02 1.14313e+01 1.43377e+02 213.166 -3.09853e+00 -2.02503e+00 0.00000e+00 0.00000e+00 9.84157e+00 213.166 1.33536e+02 33.166  0.8510 
1 1 1 11 2  9  o 7  7.36514e+02 1.74422e+01 4.19669e+02 305.584 2.59201e+01  -3.62255e+01 0.00000e+00 0.00000e+00 3.22194e+02 305.584 9.74756e+01 125.584 0.9887 
1 1 1 11 2  11 o 6  1.84384e+02 1.39029e+01 1.03770e+02 184.216 -3.34788e+00 -2.46802e-01 0.00000e+00 0.00000e+00 5.43410e+01 184.216 4.94289e+01 4.216   0.8333 
1 1 1 11 2  12 o 19 1.63455e+02 1.48865e+01 5.61411e+01 152.109 -1.30628e+00 6.91385e-01  0.00000e+00 0.00000e+00 4.37883e+01 152.109 1.23528e+01 332.109 0.5906 
1 1 1 11 2  13 o 1  3.93535e+02 1.48736e+01 6.18246e+01 168.810 -3.70037e+00 7.32037e-01  0.00000e+00 0.00000e+00 2.88304e+02 168.810 2.26479e+02 168.810 0.8541 
1 1 1 11 2  14 o 1  4.81744e+02 1.60866e+01 2.01053e+02 170.729 -1.17127e+01 1.91201e+00  0.00000e+00 0.00000e+00 2.82393e+02 170.729 8.13399e+01 170.729 0.9569 
1 1 1 11 2  15 o 15 2.24060e+02 1.32079e+01 1.26308e+02 179.647 -3.74062e+00 2.30165e-02  0.00000e+00 0.00000e+00 7.55438e+01 179.647 5.07644e+01 359.647 0.8528 
1 1 1 11 2  16 o 15 8.71943e+02 2.02401e+01 3.24787e+02 313.293 2.80021e+01  -2.97224e+01 0.00000e+00 0.00000e+00 5.92157e+02 313.293 2.67370e+02 313.293 0.9877 
1 1 1 11 2  17 o 3  3.61312e+02 1.37037e+01 2.30907e+02 35.456  1.02198e+01  7.27785e+00  0.00000e+00 0.00000e+00 1.41211e+02 35.456  8.96959e+01 215.456 0.9593 
1 1 1 11 2  18 o 3  2.05388e+02 1.53286e+01 5.57714e+01 86.809  1.14390e-01  2.05179e+00  0.00000e+00 0.00000e+00 1.01422e+02 86.809  4.56510e+01 86.809  0.7066 
1 1 1 11 2  19 o 11 1.15946e+02 2.42995e+01 2.39845e+01 204.717 -5.51262e-01 -2.53753e-01 0.00000e+00 0.00000e+00 1.28111e+01 204.717 1.11734e+01 24.717  0.2903 
1 1 1 11 2  21 o 16 2.01208e+02 1.91400e+01 7.17606e+01 216.859 -3.15993e+00 -2.36905e+00 0.00000e+00 0.00000e+00 1.21625e+02 216.859 4.98646e+01 216.859 0.8615 
1 1 1 11 2  22 f 0  2.22864e+02 3.89308e+01 8.46176e+01 19.652  5.27099e+00  1.88228e+00  0.00000e+00 0.00000e+00 1.42991e+02 19.652  5.83730e+01 19.652  0.9056 
1 1 1 11 2  23 o 17 1.77734e+02 2.18353e+01 7.94308e+01 88.948  1.08741e-01  5.92162e+00  0.00000e+00 0.00000e+00 1.05280e+02 88.948  2.58492e+01 88.948  0.9111 
1 1 1 11 2  24 o 10 1.61838e+02 2.38885e+01 7.94054e+01 140.559 -4.56945e+00 3.75891e+00  0.00000e+00 0.00000e+00 9.07738e+01 140.559 1.13684e+01 140.559 0.9110 
1 1 1 11 2  25 o 7  6.06993e+01 2.74130e+01 7.18716e+01 294.767 7.82720e-01  -1.69652e+00 0.00000e+00 0.00000e+00 2.39982e+01 114.767 9.58698e+01 114.767 0.6749 
1 1 1 11 2  26 o 11 1.20999e+02 3.23148e+01 1.09095e+02 296.653 2.99324e+00  -5.96346e+00 0.00000e+00 0.00000e+00 2.29124e+01 296.653 8.61826e+01 116.653 0.9217 
1 1 1 11 2  27 o 15 7.91892e+01 2.85657e+01 4.12644e+01 166.105 -2.11225e+00 5.22521e-01  0.00000e+00 0.00000e+00 2.75746e+01 166.105 1.36898e+01 346.105 0.7246 
1 1 1 11 2  28 o 4  8.91419e+01 3.10002e+01 4.55046e+01 47.896  2.07785e+00  2.29931e+00  0.00000e+00 0.00000e+00 4.30877e+01 47.896  2.41689e+00 227.896 0.8171 
1 1 1 11 2  29 o 13 8.27324e+01 3.02018e+01 7.66599e+00 353.966 5.24288e-01  -5.54224e-02 0.00000e+00 0.00000e+00 1.83517e+01 353.966 1.06858e+01 353.966 0.2549 
1 1 1 11 2  30 o 18 1.28305e+02 3.19488e+01 6.18284e+01 187.498 -6.61511e+00 -8.70718e-01 0.00000e+00 0.00000e+00 8.62848e+01 187.498 2.44564e+01 187.498 0.9217 
1 1 1 11 2  31 o 12 5.77727e+01 2.62590e+01 3.00931e+01 13.037  2.01924e+00  4.67552e-01  0.00000e+00 0.00000e+00 2.20306e+01 13.037  8.06247e+00 193.037 0.7094 
1 1 1 11 2  32 o 8  7.89467e+01 3.09557e+01 1.54383e+01 305.899 7.82376e-01  -1.08084e+00 0.00000e+00 0.00000e+00 4.09194e+01 305.899 2.54811e+01 305.899 0.5524 
1 1 1 11 2  33 o 14 7.88363e+01 3.18264e+01 3.63673e+01 141.775 -2.49778e+00 1.96734e+00  0.00000e+00 0.00000e+00 4.88038e+01 141.775 1.24365e+01 141.775 0.8224 
1 1 1 11 2  34 o 5  4.70545e+01 2.30694e+01 1.90936e+01 25.897  1.53168e+00  7.43654e-01  0.00000e+00 0.00000e+00 2.12900e+01 25.897  2.19640e+00 25.897  0.6424 
1 1 1 11 3  1  o 2  7.73469e+01 2.44581e+01 4.43454e+01 92.060  -1.38013e-02 3.83680e-01  0.00000e+00 0.00000e+00 2.97488e+01 272.060 7.40942e+01 272.060 0.1885 
1 1 1 11 3  2  o 14 7.99500e+01 2.43319e+01 5.94353e+01 242.406 -2.45205e-01 -4.69164e-01 0.00000e+00 0.00000e+00 3.89441e+01 62.406  9.83795e+01 62.406  0.2558 
1 1 1 11 3  3  o 1  2.78495e+02 1.54748e+01 2.45985e+02 71.993  2.38623e+00  7.34083e+00  0.00000e+00 0.00000e+00 1.45950e+01 71.993  2.31390e+02 251.993 0.9328 
1 1 1 11 3  4  o 16 4.97023e+02 1.91212e+01 2.70264e+02 47.922  1.26767e+01  1.40404e+01  0.00000e+00 0.00000e+00 2.15797e+02 47.922  5.44669e+01 227.922 0.9732 
1 1 1 11 3  5  o 1  5.34782e+02 1.63013e+01 3.12648e+02 275.036 2.05107e+00  -2.32762e+01 0.00000e+00 0.00000e+00 2.14308e+02 275.036 9.83397e+01 95.036  0.9784 
1 1 1 11 3  6  o 6  1.04072e+02 1.52358e+01 1.01149e+02 144.135 -1.14295e+00 8.26292e-01  0.00000e+00 0.00000e+00 4.09039e+01 324.135 1.42053e+02 324.135 0.5732 
1 1 1 11 3  7  o 18 5.12600e+02 1.38902e+01 2.15109e+02 67.684  5.51182e+00  1.34284e+01  0.00000e+00 0.00000e+00 2.86072e+02 67.684  7.09630e+01 67.684  0.9649 
1 1 1 11 3  8  o 18 2.11285e+02 1.14310e+01 3.27650e+01 149.961 -8.65255e-01 5.00342e-01  0.00000e+00 0.00000e+00 6.31268e+01 149.961 3.03618e+01 149.961 0.4462 
1 1 1 11 3  9  o 5  2.78820e+02 1.15481e+01 9.90857e+01 145.923 -3.31607e+00 2.24320e+00  0.00000e+00 0.00000e+00 1.46893e+02 145.923 4.78072e+01 145.923 0.8637 
1 1 1 11 3  10 o 7  6.60468e+02 1.88625e+01 3.32608e+02 223.394 -2.36705e+01 -2.23795e+01 0.00000e+00 0.00000e+00 3.34802e+02 223.394 2.19347e+00 223.394 0.9845 
1 1 1 11 3  11 o 8  4.77226e+02 1.56591e+01 1.54794e+02 350.922 1.26583e+01  -2.02245e+00 0.00000e+00 0.00000e+00 3.18011e+02 350.922 1.63217e+02 350.922 0.9602 
1 1 1 11 3  12 o 14 3.15173e+02 1.41415e+01 6.99595e+01 347.606 3.45396e+00  -7.59030e-01 0.00000e+00 0.00000e+00 2.05779e+02 347.606 1.35819e+02 347.606 0.8430 
1 1 1 11 3  14 o 2  1.07986e+03 2.38817e+01 4.61063e+02 81.491  8.80323e+00  5.88404e+01  0.00000e+00 0.00000e+00 6.64873e+02 81.491  2.03810e+02 81.491  0.9916 
1 1 1 11 3  15 o 11 3.53677e+02 1.31954e+01 1.56699e+02 200.182 -6.84176e+00 -2.51486e+00 0.00000e+00 0.00000e+00 1.91199e+02 200.182 3.45000e+01 200.182 0.9286 
1 1 1 11 3  16 o 7  5.82800e+02 1.57639e+01 2.06049e+02 278.497 2.57884e+00  -1.72608e+01 0.00000e+00 0.00000e+00 3.98035e+02 278.497 1.91987e+02 278.497 0.9709 
1 1 1 11 3  17 o 11 3.32531e+02 1.38620e+01 9.26560e+01 100.972 -8.94014e-01 4.61113e+00  0.00000e+00 0.00000e+00 2.24449e+02 100.972 1.31793e+02 100.972 0.8858 
1 1 1 11 3  18 o 16 2.90985e+02 1.73970e+01 1.38423e+02 285.909 2.29739e+00  -8.06017e+00 0.00000e+00 0.00000e+00 1.58098e+02 285.909 1.96746e+01 285.909 0.9383 
1 1 1 11 3  19 o 14 1.84619e+02 1.74146e+01 8.24069e+01 348.457 3.35629e+00  -6.85491e-01 0.00000e+00 0.00000e+00 8.70112e+01 348.457 4.60424e+00 348.457 0.8371 
1 1 1 11 3  20 o 15 3.15744e+02 1.58444e+01 1.40438e+02 141.553 -8.28171e+00 6.57502e+00  0.00000e+00 0.00000e+00 1.92144e+02 141.553 5.17063e+01 141.553 0.9515 
1 1 1 11 3  21 o 19 2.52286e+02 1.73094e+01 9.66496e+01 115.183 -3.65435e+00 7.77169e+00  0.00000e+00 0.00000e+00 1.68569e+02 115.183 7.19197e+01 115.183 0.9398 
1 1 1 11 3  22 o 4  3.41447e+02 1.66823e+01 1.65954e+02 352.267 2.06347e+01  -2.80216e+00 0.00000e+00 0.00000e+00 2.10750e+02 352.267 4.47963e+01 352.267 0.9757 
1 1 1 11 3  23 o 7  8.74510e+01 3.03577e+01 5.87964e+01 334.470 1.75492e+00  -8.38194e-01 0.00000e+00 0.00000e+00 1.00632e+01 334.470 4.87331e+01 154.470 0.6885 
1 1 1 11 3  24 o 10 7.73003e+01 2.95201e+01 2.83950e+01 162.902 -8.92441e-01 2.74513e-01  0.00000e+00 0.00000e+00 9.39313e+00 162.902 1.90019e+01 342.902 0.4224 
1 1 1 11 3  25 o 6  7.34145e+01 3.01432e+01 2.61000e+01 103.688 -1.86454e-01 7.65570e-01  0.00000e+00 0.00000e+00 5.40488e+00 103.688 2.06951e+01 283.688 0.3663 
1 1 1 11 3  26 o 1  1.59199e+02 2.25698e+01 8.54998e+01 187.889 -8.57839e+00 -1.18874e+00 0.00000e+00 0.00000e+00 9.21761e+01 187.889 6.67636e+00 187.889 0.9404 
1 1 1 11 3  27 o 4  5.86690e+01 2.69060e+01 3.51164e+01 282.614 3.10467e-01  -1.38738e+00 0.00000e+00 0.00000e+00 5.54280e+00 282.614 2.95736e+01 102.614 0.5762 
1 1 1 11 3  28 o 8  1.11698e+02 3.05804e+01 4.93726e+01 352.396 4.21921e+00  -5.63283e-01 0.00000e+00 0.00000e+00 6.95154e+01 352.396 2.01427e+01 352.396 0.8727 
1 1 1 11 3  29 f 0  5.76325e+01 2.56450e+01 7.18117e+00 144.039 -3.19738e-01 2.31970e-01  0.00000e+00 0.00000e+00 6.63503e+00 144.039 5.46141e-01 324.039 0.1938 
1 1 1 11 3  30 o 10 7.06612e+01 2.92693e+01 1.42775e+01 114.195 -3.79999e-01 8.45717e-01  0.00000e+00 0.00000e+00 2.29912e+01 114.195 8.71363e+00 114.195 0.4200 
1 1 1 11 3  31 o 3  5.96711e+01 2.69192e+01 1.24518e+01 165.398 -8.33524e-01 2.17140e-01  0.00000e+00 0.00000e+00 1.76153e+01 165.398 5.16344e+00 165.398 0.3951 
1 1 1 11 3  32 o 6  5.94110e+01 2.69011e+01 1.66967e+01 56.416  7.18899e-01  1.08270e+00  0.00000e+00 0.00000e+00 2.50693e+01 56.416  8.37263e+00 56.416  0.5426 
1 1 1 11 3  33 o 8  5.77485e+01 2.67876e+01 8.46847e+00 102.528 -1.53176e-01 6.89326e-01  0.00000e+00 0.00000e+00 1.68409e+01 102.528 8.37246e+00 102.528 0.3327 
1 1 1 11 3  34 o 2  4.50665e+01 2.22309e+01 1.23062e+01 334.486 9.94651e-01  -4.74724e-01 0.00000e+00 0.00000e+00 1.67563e+01 334.486 4.45008e+00 334.486 0.4814 
1 1 1 11 4  0  o 11 2.91066e+02 2.27015e+01 2.46675e+02 270.000 -2.48231e-16 -4.05392e+00 0.00000e+00 0.00000e+00 4.55458e+01 270.000 2.01129e+02 90.000  0.9994 
1 1 1 11 4  1  o 8  1.38887e+02 2.27346e+01 5.38904e+01 249.355 -2.93184e-01 -7.78167e-01 0.00000e+00 0.00000e+00 3.64010e-01 69.355  5.42544e+01 69.355  0.3835 
1 1 1 11 4  2  o 15 1.56270e+02 2.24496e+01 1.20470e+02 119.813 -1.31579e+00 2.29633e+00  0.00000e+00 0.00000e+00 2.10810e+00 119.813 1.18362e+02 299.812 0.7800 
1 1 1 11 4  3  o 16 1.96238e+02 1.50255e+01 1.73804e+02 333.398 4.33703e+00  -2.17196e+00 0.00000e+00 0.00000e+00 2.00501e+00 333.398 1.71799e+02 153.398 0.8898 
1 1 1 11 4  4  o 16 2.71635e+02 1.54557e+01 2.55589e+02 347.913 9.53552e+00  -2.04196e+00 0.00000e+00 0.00000e+00 3.93833e+00 347.913 2.51651e+02 167.913 0.9472 
1 1 1 11 4  5  o 4  2.40985e+02 1.26021e+01 1.68881e+02 163.575 -5.28953e+00 1.55928e+00  0.00000e+00 0.00000e+00 5.13710e+01 163.575 1.17510e+02 343.575 0.9041 
1 1 1 11 4  6  o 14 5.30751e+02 1.62877e+01 2.79093e+02 168.978 -1.92249e+01 3.74467e+00  0.00000e+00 0.00000e+00 2.45027e+02 168.978 3.40666e+01 348.978 0.9741 
1 1 1 11 4  7  o 5  5.39812e+02 1.42690e+01 2.59319e+02 6.948   2.01959e+01  2.46100e+00  0.00000e+00 0.00000e+00 2.76035e+02 6.948   1.67157e+01 6.948   0.9751 
1 1 1 11 4  8  o 10 3.82174e+02 1.22968e+01 3.25590e+02 279.934 3.15218e+00  -1.79973e+01 0.00000e+00 0.00000e+00 5.37459e+01 279.934 2.71844e+02 99.934  0.9722 
1 1 1 11 4  9  o 11 5.18761e+02 1.41189e+01 2.78490e+02 161.659 -1.95847e+01 6.49260e+00  0.00000e+00 0.00000e+00 2.40343e+02 161.659 3.81477e+01 341.659 0.9755 
1 1 1 11 4  10 o 5  4.15311e+02 1.46796e+01 2.16825e+02 97.935  -1.84604e+00 1.32451e+01  0.00000e+00 0.00000e+00 1.94718e+02 97.935  2.21072e+01 277.935 0.9619 
1 1 1 11 4  11 o 14 2.46716e+02 1.33873e+01 1.03480e+02 180.692 -4.18618e+00 -5.05317e-02 0.00000e+00 0.00000e+00 1.18909e+02 180.692 1.54284e+01 180.692 0.8703 
1 1 1 11 4  12 o 19 6.05923e+02 1.79540e+01 2.18905e+02 253.668 -5.82918e+00 -1.98929e+01 0.00000e+00 0.00000e+00 3.96880e+02 253.668 1.77974e+02 253.668 0.9756 
1 1 1 11 4  13 o 9  5.25343e+02 1.67847e+01 2.05029e+02 18.209  1.68098e+01  5.52955e+00  0.00000e+00 0.00000e+00 3.29899e+02 18.209  1.24869e+02 18.209  0.9713 
1 1 1 11 4  14 o 8  3.48501e+02 1.84503e+01 1.61440e+02 182.056 -6.76776e+00 -2.42997e-01 0.00000e+00 0.00000e+00 1.78030e+02 182.056 1.65899e+01 182.056 0.9229 
1 1 1 11 4  15 o 16 4.15738e+02 1.36260e+01 1.46391e+02 289.615 3.31863e+00  -9.31210e+00 0.00000e+00 0.00000e+00 2.72639e+02 289.615 1.26248e+02 289.615 0.9480 
1 1 1 11 4  16 f 0  1.87468e+02 1.77489e+01 1.33833e+02 78.393  7.25266e-01  3.53108e+00  0.00000e+00 0.00000e+00 3.61936e+01 78.393  9.76398e+01 258.393 0.8464 
1 1 1 11 4  17 o 17 2.17212e+02 1.47604e+01 1.25163e+02 152.802 -3.65708e+00 1.87931e+00  0.00000e+00 0.00000e+00 7.84839e+01 152.802 4.66792e+01 332.802 0.8677 
1 1 1 11 4  18 o 17 1.18395e+02 2.18242e+01 8.06817e+01 234.671 -1.12129e+00 -1.58194e+00 0.00000e+00 0.00000e+00 8.04905e+00 234.671 7.26326e+01 54.671  0.6875 
1 1 1 11 4  19 o 17 2.78422e+02 1.54686e+01 9.18340e+01 224.578 -4.80009e+00 -4.72982e+00 0.00000e+00 0.00000e+00 1.90774e+02 224.578 9.89399e+01 224.578 0.9225 
1 1 1 11 4  20 o 2  2.04728e+02 2.38024e+01 1.06332e+02 5.732   5.63624e+00  5.65773e-01  0.00000e+00 0.00000e+00 9.99593e+01 5.732   6.37286e+00 185.732 0.9068 
1 1 1 11 4  21 o 2  1.90737e+02 5.65877e+01 1.32027e+02 26.636  5.02426e+00  2.51989e+00  0.00000e+00 0.00000e+00 6.19976e+01 26.636  7.00296e+01 206.636 0.9060 
1 1 1 11 4  22 o 15 1.48162e+02 3.09281e+01 6.18919e+01 230.312 -1.87928e+00 -2.26459e+00 0.00000e+00 0.00000e+00 7.35891e+01 230.312 1.16972e+01 230.312 0.8057 
1 1 1 11 4  23 f 0  1.63485e+02 2.34035e+01 8.77068e+01 198.993 -5.56056e+00 -1.91392e+00 0.00000e+00 0.00000e+00 8.31602e+01 198.993 4.54667e+00 18.993  0.9105 
1 1 1 11 4  24 o 13 1.51857e+02 3.18547e+01 6.66550e+01 282.798 9.54866e-01  -4.20363e+00 0.00000e+00 0.00000e+00 8.76055e+01 282.798 2.09505e+01 282.798 0.8745 
1 1 1 11 4  25 o 15 1.40887e+02 2.45050e+01 3.00678e+01 180.807 -1.87625e+00 -2.64398e-02 0.00000e+00 0.00000e+00 8.20063e+01 180.807 5.19385e+01 180.807 0.6764 
1 1 1 11 4  26 o 13 5.35395e+01 2.40775e+01 4.61644e+01 152.541 -1.35580e+00 7.04556e-01  0.00000e+00 0.00000e+00 7.70691e+00 332.541 5.38713e+01 332.541 0.6030 
1 1 1 11 4  27 o 11 5.84517e+01 2.69613e+01 5.34335e+01 49.479  1.49934e+00  1.75421e+00  0.00000e+00 0.00000e+00 1.04606e+00 229.479 5.44795e+01 229.479 0.7424 
1 1 1 11 4  28 o 4  4.82543e+01 2.27484e+01 4.20280e+00 302.392 1.12783e-01  -1.77774e-01 0.00000e+00 0.00000e+00 1.98124e+00 302.392 2.22156e+00 122.392 0.1047 
1 1 1 11 4  29 o 17 5.41202e+01 2.46203e+01 3.00784e+01 206.737 -1.42790e+00 -7.19303e-01 0.00000e+00 0.00000e+00 1.15683e+01 206.737 1.85102e+01 26.737  0.6196 
1 1 1 11 4  30 o 12 6.00290e+01 2.70680e+01 2.00933e+01 3.703   1.18869e+00  7.69346e-02  0.00000e+00 0.00000e+00 1.85002e+01 3.703   1.59313e+00 183.703 0.5100 
1 1 1 11 4  31 o 16 6.17619e+01 2.72578e+01 2.72698e+01 0.629   1.90960e+00  2.09728e-02  0.00000e+00 0.00000e+00 2.66779e+01 0.629   5.91834e-01 180.629 0.6824 
1 1 1 11 4  32 o 17 6.18078e+01 2.76488e+01 1.90890e+01 145.097 -1.20455e+00 8.40399e-01  0.00000e+00 0.00000e+00 2.82021e+01 145.097 9.11307e+00 145.097 0.5883 
1 1 1 11 4  33 o 9  4.86639e+01 2.34591e+01 1.13734e+01 27.502  8.40828e-01  4.37749e-01  0.00000e+00 0.00000e+00 1.61395e+01 27.502  4.76611e+00 27.502  0.4276 
1 1 1 11 5  0  o 11 3.54803e+02 2.39082e+01 2.87439e+02 90.000  4.42075e-16  7.21964e+00  0.00000e+00 0.00000e+00 7.07002e+01 90.000  2.16739e+02 270.000 1.0000 
1 1 1 11 5  1  o 3  7.65922e+01 2.42927e+01 8.53796e+01 22.778  8.34152e-01  3.50260e-01  0.00000e+00 0.00000e+00 5.35492e+01 202.777 1.38929e+02 202.777 0.4116 
1 1 1 11 5  2  o 10 6.63097e+01 2.29801e+01 1.52688e+02 329.334 1.20425e+00  -7.14064e-01 0.00000e+00 0.00000e+00 1.14468e+02 149.334 2.67156e+02 149.334 0.5704 
1 1 1 11 5  3  o 1  1.61568e+02 1.56303e+01 1.64295e+02 232.306 -2.27128e+00 -2.93936e+00 0.00000e+00 0.00000e+00 2.50979e+01 52.306  1.89393e+02 52.306  0.8516 
1 1 1 11 5  4  o 4  2.85250e+02 1.57374e+01 1.33555e+02 251.200 -1.65338e+00 -4.85687e+00 0.00000e+00 0.00000e+00 1.25570e+02 251.200 7.98523e+00 71.200  0.8963 
1 1 1 11 5  5  f 0  1.95026e+02 1.54993e+01 1.45377e+02 33.353  3.14640e+00  2.07096e+00  0.00000e+00 0.00000e+00 2.37876e+01 33.353  1.21590e+02 213.353 0.8539 
1 1 1 11 5  6  o 15 5.89735e+02 1.73759e+01 3.58717e+02 112.955 -1.19768e+01 2.82774e+01  0.00000e+00 0.00000e+00 2.32130e+02 112.955 1.26587e+02 292.955 0.9836 
1 1 1 11 5  7  o 10 2.24512e+02 1.29432e+01 8.18968e+01 143.276 -2.11935e+00 1.58109e+00  0.00000e+00 0.00000e+00 9.70231e+01 143.276 1.51264e+01 143.276 0.7798 
1 1 1 11 5  8  o 13 5.70736e+02 1.48235e+01 2.65917e+02 320.006 1.67712e+01  -1.40697e+01 0.00000e+00 0.00000e+00 3.06027e+02 320.006 4.01099e+01 320.006 0.9769 
1 1 1 11 5  9  f 0  3.94500e+02 1.44002e+01 1.26745e+02 311.128 4.95495e+00  -5.67430e+00 0.00000e+00 0.00000e+00 2.51657e+02 311.128 1.24912e+02 311.128 0.9310 
1 1 1 11 5  10 o 8  1.98715e+02 1.34583e+01 1.06907e+02 150.059 -3.23578e+00 1.86376e+00  0.00000e+00 0.00000e+00 6.84498e+01 150.059 3.84572e+01 330.059 0.8525 
1 1 1 11 5  11 o 9  1.61530e+02 1.30891e+01 2.92888e+01 53.387  4.57941e-01  6.16316e-01  0.00000e+00 0.00000e+00 3.09155e+01 53.387  1.62675e+00 53.387  0.3581 
1 1 1 11 5  12 o 10 3.82722e+02 1.27995e+01 2.22750e+02 77.595  2.86947e+00  1.30458e+01  0.00000e+00 0.00000e+00 1.62557e+02 77.595  6.01929e+01 257.595 0.9618 
1 1 1 11 5  13 o 10 8.08961e+02 2.67655e+01 3.53722e+02 115.645 -1.48558e+01 3.09438e+01  0.00000e+00 0.00000e+00 4.85893e+02 115.645 1.32172e+02 115.645 0.9853 
1 1 1 11 5  14 o 15 7.00195e+02 1.99637e+01 2.76210e+02 221.060 -1.91676e+01 -1.66973e+01 0.00000e+00 0.00000e+00 4.51625e+02 221.060 1.75415e+02 221.060 0.9801 
1 1 1 11 5  15 o 17 3.03747e+02 1.31113e+01 2.30923e+02 307.540 6.89137e+00  -8.96789e+00 0.00000e+00 0.00000e+00 7.88836e+01 307.540 1.52039e+02 127.540 0.9547 
1 1 1 11 5  16 o 13 4.68841e+02 1.43454e+01 1.83649e+02 32.294  1.10762e+01  7.00042e+00  0.00000e+00 0.00000e+00 3.01497e+02 32.294  1.17848e+02 32.294  0.9610 
1 1 1 11 5  17 o 7  1.92350e+02 1.52998e+01 5.25783e+01 20.423  1.72527e+00  6.42406e-01  0.00000e+00 0.00000e+00 8.73124e+01 20.423  3.47341e+01 20.423  0.6699 
1 1 1 11 5  18 o 17 1.49116e+02 1.91963e+01 4.34687e+01 144.310 -1.07428e+00 7.71668e-01  0.00000e+00 0.00000e+00 4.62260e+01 144.310 2.75730e+00 144.310 0.5492 
1 1 1 11 5  19 o 18 2.95443e+02 1.83665e+01 1.62658e+02 128.515 -7.72875e+00 9.71112e+00  0.00000e+00 0.00000e+00 1.50537e+02 128.515 1.21206e+01 308.515 0.9588 
1 1 1 11 5  20 o 11 2.23261e+02 1.75000e+01 1.20286e+02 199.115 -6.82227e+00 -2.36448e+00 0.00000e+00 0.00000e+00 1.11023e+02 199.115 9.26288e+00 19.115  0.9279 
1 1 1 11 5  21 o 2  3.27885e+02 1.65117e+01 1.40976e+02 291.968 6.06676e+00  -1.50396e+01 0.00000e+00 0.00000e+00 2.17331e+02 291.968 7.63545e+01 291.968 0.9687 
1 1 1 11 5  22 o 3  1.06514e+02 2.90491e+01 3.32379e+01 309.352 7.14872e-01  -8.71787e-01 0.00000e+00 0.00000e+00 2.62496e+01 309.352 6.98834e+00 129.352 0.4897 
1 1 1 11 5  23 o 17 1.74236e+02 2.21136e+01 7.25762e+01 127.788 -3.28169e+00 4.23251e+00  0.00000e+00 0.00000e+00 1.08506e+02 127.788 3.59301e+01 127.788 0.9010 
1 1 1 11 5  24 o 16 7.50105e+01 3.17036e+01 5.25983e+01 96.010  -1.75637e-01 1.66834e+00  0.00000e+00 0.00000e+00 3.17809e+00 96.010  4.94202e+01 276.010 0.6371 
1 1 1 11 5  25 o 12 1.48664e+02 2.27645e+01 1.06783e+01 154.852 -8.02809e-01 3.76878e-01  0.00000e+00 0.00000e+00 6.04493e+01 154.852 4.97710e+01 154.852 0.4049 
1 1 1 11 5  26 o 19 1.48749e+02 3.96611e+01 8.46921e+01 343.889 5.75029e+00  -1.66094e+00 0.00000e+00 0.00000e+00 7.77174e+01 343.889 6.97467e+00 163.889 0.9121 
1 1 1 11 5  27 o 10 5.71067e+01 2.70265e+01 1.30982e+01 6.452   5.46533e-01  6.18039e-02  0.00000e+00 0.00000e+00 5.26770e+00 6.452   7.83049e+00 186.452 0.2651 
1 1 1 11 5  28 o 6  8.28496e+01 2.98140e+01 4.37573e+01 129.723 -1.93944e+00 2.33418e+00  0.00000e+00 0.00000e+00 3.90472e+01 129.723 4.71011e+00 309.723 0.8125 
1 1 1 11 5  29 o 7  4.54552e+01 2.18488e+01 3.21253e+01 141.863 -1.27566e+00 1.00156e+00  0.00000e+00 0.00000e+00 3.31736e+00 141.863 2.88079e+01 321.863 0.6248 
1 1 1 11 5  30 o 18 4.20473e+01 2.06427e+01 1.85571e+01 278.763 1.62319e-01  -1.05301e+00 0.00000e+00 0.00000e+00 6.42544e+00 278.763 1.21316e+01 98.763  0.4691 
1 1 1 11 5  31 o 7  8.32434e+01 3.21000e+01 1.14414e+01 338.261 8.27200e-01  -3.29835e-01 0.00000e+00 0.00000e+00 3.20564e+01 338.261 2.06150e+01 338.261 0.4063 
1 1 1 11 5  32 o 18 5.08528e+01 2.42162e+01 1.17030e+01 327.732 7.29717e-01  -4.60741e-01 0.00000e+00 0.00000e+00 1.45964e+01 327.732 2.89338e+00 327.732 0.3957 
1 1 1 11 5  33 o 4  7.20575e+01 3.05939e+01 1.49801e+01 308.593 8.18029e-01  -1.02500e+00 0.00000e+00 0.00000e+00 3.72781e+01 308.593 2.22980e+01 308.593 0.5459 
1 1 1 11 6  0  f 0  5.92041e+01 2.90750e+01 1.12043e+02 270.000 -2.72379e-17 -4.44829e-01 0.00000e+00 0.00000e+00 8.69372e+01 90.000  1.98980e+02 90.000  0.4176 
1 1 1 11 6  1  o 10 2.17295e+02 1.53549e+01 6.21188e+01 319.592 1.39403e+00  -1.18675e+00 0.00000e+00 0.00000e+00 8.52830e+01 319.592 2.31641e+01 319.592 0.6679 
1 1 1 11 6  2  o 5  1.07503e+02 2.47866e+01 8.80125e+01 11.674  1.21911e+00  2.51882e-01  0.00000e+00 0.00000e+00 3.04906e+01 191.674 1.18503e+02 191.674 0.5265 
1 1 1 11 6  3  o 6  4.06970e+02 2.49822e+01 1.03988e+02 147.624 -4.66346e+00 2.95682e+00  0.00000e+00 0.00000e+00 2.70499e+02 147.624 1.66512e+02 147.624 0.9042 
1 1 1 11 6  4  o 14 1.91569e+02 1.29645e+01 1.67734e+02 144.620 -3.48695e+00 2.47620e+00  0.00000e+00 0.00000e+00 2.83230e+00 144.620 1.64901e+02 324.620 0.8734 
1 1 1 11 6  5  o 15 4.98892e+02 1.57958e+01 2.49383e+02 348.850 1.77897e+01  -3.50619e+00 0.00000e+00 0.00000e+00 2.46103e+02 348.850 3.27993e+00 168.850 0.9720 
1 1 1 11 6  6  o 15 5.23023e+02 1.99038e+01 3.35282e+02 279.505 4.10784e+00  -2.45340e+01 0.00000e+00 0.00000e+00 1.89723e+02 279.505 1.45559e+02 99.505  0.9797 
1 1 1 11 6  7  o 13 3.69189e+02 1.40410e+01 1.27674e+02 180.226 -6.85055e+00 -2.70582e-02 0.00000e+00 0.00000e+00 2.22930e+02 180.226 9.52554e+01 180.226 0.9238 
1 1 1 11 6  8  o 18 4.15356e+02 1.27033e+01 1.98038e+02 78.058  2.59555e+00  1.22725e+01  0.00000e+00 0.00000e+00 2.13097e+02 78.058  1.50590e+01 78.058  0.9593 
1 1 1 11 6  9  o 11 5.19000e+02 1.62360e+01 2.11514e+02 51.461  1.20622e+01  1.51432e+01  0.00000e+00 0.00000e+00 3.12242e+02 51.461  1.00727e+02 51.461  0.9738 
1 1 1 11 6  10 o 12 5.32551e+02 1.66029e+01 2.22707e+02 266.844 -1.06413e+00 -1.93007e+01 0.00000e+00 0.00000e+00 3.17283e+02 266.844 9.45767e+01 266.844 0.9738 
1 1 1 11 6  11 o 15 1.24166e+02 1.47241e+01 4.62181e+01 347.653 8.87814e-01  -1.94339e-01 0.00000e+00 0.00000e+00 7.48256e+00 347.653 3.87355e+01 167.653 0.4132 
1 1 1 11 6  12 o 3  3.24895e+02 1.24412e+01 1.69119e+02 71.407  2.93050e+00  8.71135e+00  0.00000e+00 0.00000e+00 1.53776e+02 71.407  1.53428e+01 251.407 0.9439 
1 1 1 11 6  13 o 1  6.93684e+02 1.97135e+01 2.88246e+02 199.195 -2.28642e+01 -7.95991e+00 0.00000e+00 0.00000e+00 4.31402e+02 199.195 1.43156e+02 199.195 0.9791 
1 1 1 11 6  14 o 16 2.71080e+02 1.43790e+01 1.92073e+02 208.122 -7.52698e+00 -4.02281e+00 0.00000e+00 0.00000e+00 7.96006e+01 208.122 1.12472e+02 28.122  0.9394 
1 1 1 11 6  15 o 17 5.24653e+02 1.72921e+01 2.52708e+02 51.000  1.21533e+01  1.50082e+01  0.00000e+00 0.00000e+00 2.96296e+02 51.000  4.35881e+01 51.000  0.9738 
1 1 1 11 6  16 o 3  1.09817e+02 2.26296e+01 6.74988e+01 78.464  2.21916e-01  1.08725e+00  0.00000e+00 0.00000e+00 9.94472e+00 258.464 7.74435e+01 258.464 0.4839 
1 1 1 11 6  17 o 7  2.41631e+02 1.46402e+01 1.04349e+02 303.693 2.52895e+00  -3.79301e+00 0.00000e+00 0.00000e+00 1.28407e+02 303.693 2.40583e+01 303.693 0.8820 
1 1 1 11 6  18 o 4  8.73742e+01 2.56601e+01 5.12664e+01 246.864 -3.83533e-01 -8.97608e-01 0.00000e+00 0.00000e+00 9.11456e+00 66.864  6.03809e+01 66.864  0.4379 
1 1 1 11 6  19 o 1  2.59725e+02 1.57576e+01 9.18891e+01 81.177  8.83934e-01  5.69484e+00  0.00000e+00 0.00000e+00 1.70528e+02 81.177  7.86394e+01 81.177  0.9085 
1 1 1 11 6  20 o 14 1.05042e+02 2.71772e+01 5.57022e+01 322.947 1.21944e+00  -9.20688e-01 0.00000e+00 0.00000e+00 1.54325e+01 322.947 4.02697e+01 142.947 0.6030 
1 1 1 11 6  21 o 1  1.55305e+02 4.54423e+01 1.03378e+02 172.479 -4.35305e+00 5.74713e-01  0.00000e+00 0.00000e+00 5.11866e+01 172.479 5.21911e+01 352.479 0.8770 
1 1 1 11 6  22 o 10 7.72338e+01 3.10848e+01 3.40177e+01 174.668 -8.10383e-01 7.56314e-02  0.00000e+00 0.00000e+00 6.51984e-01 354.668 3.46697e+01 354.668 0.3766 
1 1 1 11 6  23 f 0  2.08796e+02 2.07976e+01 9.32308e+01 283.463 2.19120e+00  -9.15300e+00 0.00000e+00 0.00000e+00 1.35766e+02 283.463 4.25356e+01 283.463 0.9453 
1 1 1 11 6  24 o 9  6.68281e+01 2.92659e+01 5.78485e+01 340.754 1.46145e+00  -5.10250e-01 0.00000e+00 0.00000e+00 1.01623e+01 160.754 6.80108e+01 160.754 0.6078 
1 1 1 11 6  25 o 11 4.83203e+01 2.26287e+01 6.78545e+01 95.916  -2.05494e-01 1.98319e+00  0.00000e+00 0.00000e+00 2.78350e+01 275.916 9.56895e+01 275.916 0.6968 
1 1 1 11 6  26 o 11 5.36358e+01 2.41508e+01 3.11871e+01 143.762 -8.88548e-01 6.51213e-01  0.00000e+00 0.00000e+00 1.08112e-01 323.763 3.12952e+01 323.763 0.4812 
1 1 1 11 6  27 f 0  1.10526e+02 3.01065e+01 6.39655e+01 266.934 -2.69042e-01 -5.02351e+00 0.00000e+00 0.00000e+00 5.66200e+01 266.934 7.34552e+00 86.934  0.8941 
1 1 1 11 6  28 f 0  5.96761e+01 2.75473e+01 2.25076e+01 279.681 1.96778e-01  -1.15349e+00 0.00000e+00 0.00000e+00 1.46650e+01 279.681 7.84253e+00 99.681  0.5034 
1 1 1 11 6  29 f 0  6.78314e+01 2.80782e+01 2.84742e+01 35.719  1.45964e+00  1.04958e+00  0.00000e+00 0.00000e+00 2.78576e+01 35.719  6.16620e-01 215.719 0.6616 
1 1 1 11 6  30 o 10 7.99438e+01 3.05020e+01 2.48169e+01 31.382  1.74546e+00  1.06469e+00  0.00000e+00 0.00000e+00 4.69835e+01 31.382  2.21666e+01 31.382  0.7050 
1 1 1 11 6  31 o 13 7.43562e+01 3.08727e+01 1.47919e+01 215.380 -9.20792e-01 -6.53896e-01 0.00000e+00 0.00000e+00 3.23798e+01 215.380 1.75879e+01 215.380 0.4903 
1 1 1 11 6  32 o 15 7.00470e+01 2.97615e+01 2.02911e+01 152.732 -1.55872e+00 8.03419e-01  0.00000e+00 0.00000e+00 3.98225e+01 152.732 1.95314e+01 152.732 0.6529 
1 1 1 11 6  33 o 16 5.07667e+01 2.43483e+01 8.54698e+00 354.937 7.23219e-01  -6.40796e-02 0.00000e+00 0.00000e+00 1.45870e+01 354.937 6.04006e+00 354.937 0.3410 
1 1 1 11 7  0  f 0  3.79131e+02 2.45993e+01 1.29152e+02 270.000 -1.98635e-16 -3.24396e+00 0.00000e+00 0.00000e+00 2.57295e+02 270.000 1.28144e+02 270.000 0.9970 
1 1 1 11 7  1  o 11 1.41457e+02 1.65320e+01 9.40179e+01 311.749 1.17390e+00  -1.31531e+00 0.00000e+00 0.00000e+00 6.99789e-01 311.749 9.33181e+01 131.749 0.6547 
1 1 1 11 7  2  o 13 5.24057e+02 2.84444e+01 2.73565e+02 152.650 -1.80231e+01 9.32246e+00  0.00000e+00 0.00000e+00 2.49385e+02 152.650 2.41804e+01 332.650 0.9750 
1 1 1 11 7  3  o 18 2.91907e+02 2.26523e+01 1.75484e+02 200.424 -6.89186e+00 -2.56641e+00 0.00000e+00 0.00000e+00 1.02488e+02 200.424 7.29963e+01 20.424  0.9293 
1 1 1 11 7  4  o 5  1.13036e+02 1.49834e+01 6.46851e+01 195.362 -1.02341e+00 -2.81168e-01 0.00000e+00 0.00000e+00 1.04152e+01 15.362  7.51003e+01 15.362  0.4677 
1 1 1 11 7  5  o 10 3.18645e+02 1.34623e+01 1.63023e+02 45.127  5.41921e+00  5.44334e+00  0.00000e+00 0.00000e+00 1.42669e+02 45.127  2.03540e+01 225.127 0.9324 
1 1 1 11 7  6  o 13 2.54850e+02 1.31286e+01 8.48844e+01 36.839  2.52158e+00  1.88907e+00  0.00000e+00 0.00000e+00 1.30864e+02 36.839  4.59793e+01 36.839  0.8205 
1 1 1 11 7  7  o 8  2.71992e+02 1.60859e+01 1.22990e+02 290.008 1.73752e+00  -4.77167e+00 0.00000e+00 0.00000e+00 1.29038e+02 290.008 6.04793e+00 290.008 0.8952 
1 1 1 11 7  8  o 2  3.86935e+02 1.43813e+01 1.29314e+02 265.117 -7.59325e-01 -8.88883e+00 0.00000e+00 0.00000e+00 2.49474e+02 265.117 1.20161e+02 265.117 0.9422 
1 1 1 11 7  9  o 11 4.23096e+02 1.48029e+01 1.60520e+02 79.862  2.08252e+00  1.16459e+01  0.00000e+00 0.00000e+00 2.61889e+02 79.862  1.01369e+02 79.862  0.9568 
1 1 1 11 7  10 o 4  3.08755e+02 1.37347e+01 1.24566e+02 4.650   6.19610e+00  5.04007e-01  0.00000e+00 0.00000e+00 1.71844e+02 4.650   4.72786e+01 4.650   0.9156 
1 1 1 11 7  11 o 11 2.12730e+02 1.21216e+01 8.38074e+01 106.029 -7.72516e-01 2.68892e+00  0.00000e+00 0.00000e+00 9.41990e+01 106.029 1.03915e+01 106.029 0.7938 
1 1 1 11 7  12 o 13 8.26977e+02 1.91903e+01 2.99570e+02 141.549 -2.38573e+01 1.89439e+01  0.00000e+00 0.00000e+00 5.62688e+02 141.549 2.63118e+02 141.549 0.9834 
1 1 1 11 7  13 f 0  5.11660e+02 1.65873e+01 2.91364e+02 264.456 -1.91887e+00 -1.97691e+01 0.00000e+00 0.00000e+00 2.40610e+02 264.456 5.07540e+01 84.456  0.9745 
1 1 1 11 7  14 o 5  6.54216e+02 1.90759e+01 2.92235e+02 6.472   3.03388e+01  3.44141e+00  0.00000e+00 0.00000e+00 3.98921e+02 6.472   1.06686e+02 6.472   0.9835 
1 1 1 11 7  15 o 14 4.90379e+02 1.45327e+01 2.62551e+02 78.811  3.83389e+00  1.93830e+01  0.00000e+00 0.00000e+00 2.54476e+02 78.811  8.07515e+00 258.811 0.9744 
1 1 1 11 7  16 f 0  9.13367e+01 2.21902e+01 1.29854e+02 181.356 -1.75889e+00 -4.16426e-02 0.00000e+00 0.00000e+00 6.47055e+01 1.356   1.94559e+02 1.356   0.6540 
1 1 1 11 7  17 o 3  3.03998e+02 1.45878e+01 4.11014e+01 90.716  -3.28254e-02 2.62543e+00  0.00000e+00 0.00000e+00 2.18988e+02 90.716  1.77886e+02 90.716  0.7780 
1 1 1 11 7  18 o 17 1.66418e+02 2.68392e+01 5.60559e+01 192.482 -2.25676e+00 -4.99588e-01 0.00000e+00 0.00000e+00 8.10937e+01 192.482 2.50378e+01 192.482 0.7428 
1 1 1 11 7  19 o 15 7.91850e+01 2.75185e+01 2.64391e+01 37.740  4.22184e-01  3.26776e-01  0.00000e+00 0.00000e+00 3.57366e+00 217.740 3.00128e+01 217.740 0.2579 
1 1 1 11 7  20 o 4  1.39890e+02 2.31803e+01 7.91063e+01 322.771 2.97731e+00  -2.26232e+00 0.00000e+00 0.00000e+00 5.57927e+01 322.771 2.33137e+01 142.771 0.8527 
1 1 1 11 7  21 o 15 1.98452e+02 1.92531e+01 8.03891e+01 254.555 -1.54152e+00 -5.57948e+00 0.00000e+00 0.00000e+00 1.25726e+02 254.555 4.53373e+01 254.555 0.9089 
1 1 1 11 7  22 o 13 6.67961e+01 2.73143e+01 7.00736e+01 126.732 -1.10703e+00 1.48345e+00  0.00000e+00 0.00000e+00 1.82451e+01 306.732 8.83187e+01 306.732 0.6717 
1 1 1 11 7  23 o 2  1.43949e+02 3.24444e+01 5.98466e+01 112.140 -1.32920e+00 3.26683e+00  0.00000e+00 0.00000e+00 8.18413e+01 112.140 2.19947e+01 112.140 0.8425 
1 1 1 11 7  24 o 2  5.34316e+01 2.41237e+01 4.52754e+01 356.107 1.08612e+00  -7.39133e-02 0.00000e+00 0.00000e+00 1.51492e+01 176.107 6.04245e+01 176.107 0.4769 
1 1 1 11 7  25 o 15 8.59914e+01 3.20277e+01 4.50220e+01 260.350 -3.31130e-01 -1.94733e+00 0.00000e+00 0.00000e+00 2.63751e+01 260.350 1.86469e+01 80.350  0.6937 
1 1 1 11 7  26 o 3  9.08057e+01 3.10703e+01 5.39610e+01 115.567 -1.33332e+00 2.78699e+00  0.00000e+00 0.00000e+00 3.59199e+01 115.567 1.80411e+01 295.567 0.8164 
1 1 1 11 7  27 o 16 8.61100e+01 2.98416e+01 3.72204e+01 118.562 -1.21356e+00 2.22933e+00  0.00000e+00 0.00000e+00 4.41550e+01 118.562 6.93466e+00 118.562 0.7691 
1 1 1 11 7  28 o 13 9.39994e+01 3.47018e+01 5.08637e+01 255.836 -8.17859e-01 -3.24081e+00 0.00000e+00 0.00000e+00 4.66255e+01 255.836 4.23824e+00 75.836  0.8324 
1 1 1 11 7  29 o 18 5.96460e+01 2.60812e+01 1.55464e+01 64.516  3.94732e-01  8.28155e-01  0.00000e+00 0.00000e+00 1.58429e+01 64.516  2.96509e-01 64.516  0.4164 
1 1 1 11 7  30 o 6  7.01983e+01 2.85523e+01 1.57968e+01 356.999 1.22863e+00  -6.44050e-02 0.00000e+00 0.00000e+00 3.12191e+01 356.999 1.54223e+01 356.999 0.5221 
1 1 1 11 7  31 o 9  6.76218e+01 2.92394e+01 2.41815e+01 255.487 -4.83791e-01 -1.86890e+00 0.00000e+00 0.00000e+00 3.62546e+01 255.487 1.20731e+01 255.487 0.6860 
1 1 1 11 7  32 o 10 5.13571e+01 2.44251e+01 5.92939e+00 205.602 -4.37381e-01 -2.09576e-01 0.00000e+00 0.00000e+00 1.00889e+01 205.602 4.15946e+00 205.602 0.2356 
1 1 1 11 7  33 o 11 5.50923e+01 2.58133e+01 2.32597e+00 31.754  1.75984e-01  1.08919e-01  0.00000e+00 0.00000e+00 5.30407e+00 31.754  2.97810e+00 31.754  0.1029 
1 1 1 11 8  0  o 7  5.38936e+01 2.92409e+01 2.81266e+01 90.000  6.64639e-18  1.08544e-01  0.00000e+00 0.00000e+00 2.21212e+01 270.000 5.02478e+01 270.000 0.1081 
1 1 1 11 8  1  o 5  4.64143e+02 1.87379e+01 2.23845e+02 74.433  4.00980e+00  1.43936e+01  0.00000e+00 0.00000e+00 2.38327e+02 74.433  1.44819e+01 74.433  0.9659 
1 1 1 11 8  2  o 1  1.73401e+02 1.61864e+01 7.98776e+01 335.578 1.81777e+00  -8.25414e-01 0.00000e+00 0.00000e+00 4.48413e+01 335.578 3.50363e+01 155.578 0.6972 
1 1 1 11 8  3  o 18 8.62213e+01 2.64416e+01 6.08000e+01 163.402 -7.15735e-01 2.13345e-01  0.00000e+00 0.00000e+00 2.96638e+01 343.402 9.04638e+01 343.402 0.3496 
1 1 1 11 8  4  o 10 2.42504e+02 1.30204e+01 1.46681e+02 263.776 -5.66001e-01 -5.18962e+00 0.00000e+00 0.00000e+00 7.87247e+01 263.776 6.79568e+01 83.776  0.8983 
1 1 1 11 8  5  o 13 1.38793e+02 1.43115e+01 8.21454e+01 15.295  1.58937e+00  4.34666e-01  0.00000e+00 0.00000e+00 8.62516e+00 15.295  7.35203e+01 195.295 0.6306 
1 1 1 11 8  6  o 18 3.14234e+02 1.65180e+01 8.96135e+01 64.338  1.84482e+00  3.83976e+00  0.00000e+00 0.00000e+00 1.95631e+02 64.338  1.06017e+02 64.338  0.8728 
1 1 1 11 8  7  o 2  3.69783e+02 1.41116e+01 1.50571e+02 34.210  8.21956e+00  5.58802e+00  0.00000e+00 0.00000e+00 2.15313e+02 34.210  6.47425e+01 34.210  0.9483 
1 1 1 11 8  8  o 10 4.85319e+02 1.92986e+01 2.22127e+02 321.628 1.45644e+01  -1.15322e+01 0.00000e+00 0.00000e+00 2.72310e+02 321.628 5.01826e+01 321.628 0.9727 
1 1 1 11 8  9  o 3  4.15337e+02 1.47744e+01 1.83933e+02 169.485 -1.21786e+01 2.26050e+00  0.00000e+00 0.00000e+00 2.34927e+02 169.485 5.09937e+01 169.485 0.9587 
1 1 1 11 8  10 o 17 1.04074e+02 1.64339e+01 5.48469e+01 95.948  -9.26169e-02 8.88913e-01  0.00000e+00 0.00000e+00 1.00254e+01 275.948 6.48723e+01 275.948 0.4075 
1 1 1 11 8  11 o 9  2.58309e+02 1.21483e+01 4.23944e+01 28.864  1.59869e+00  8.81204e-01  0.00000e+00 0.00000e+00 1.40654e+02 28.864  9.82593e+01 28.864  0.6669 
1 1 1 11 8  12 o 14 6.31983e+02 1.60212e+01 3.22026e+02 202.384 -2.54040e+01 -1.04625e+01 0.00000e+00 0.00000e+00 3.40982e+02 202.384 1.89568e+01 202.384 0.9816 
1 1 1 11 8  13 o 12 5.28491e+02 1.47095e+01 2.55543e+02 34.554  1.82357e+01  1.25585e+01  0.00000e+00 0.00000e+00 2.99854e+02 34.554  4.43108e+01 34.554  0.9772 
1 1 1 11 8  14 o 13 6.67581e+02 2.33623e+01 2.74857e+02 50.199  1.68354e+01  2.02059e+01  0.00000e+00 0.00000e+00 4.34142e+02 50.199  1.59285e+02 50.199  0.9808 
1 1 1 11 8  15 o 6  5.33852e+02 1.72339e+01 1.83711e+02 244.321 -6.50942e+00 -1.35382e+01 0.00000e+00 0.00000e+00 3.78874e+02 244.321 1.95163e+02 244.321 0.9661 
1 1 1 11 8  16 o 13 3.30304e+02 1.57097e+01 1.86162e+02 280.806 2.09257e+00  -1.09633e+01 0.00000e+00 0.00000e+00 1.60285e+02 280.806 2.58767e+01 100.806 0.9541 
1 1 1 11 8  17 o 1  3.58616e+02 1.45768e+01 2.01704e+02 92.081  -6.09967e-01 1.67885e+01  0.00000e+00 0.00000e+00 1.83811e+02 92.081  1.78926e+01 272.081 0.9698 
1 1 1 11 8  18 o 11 2.42726e+02 1.81627e+01 4.76457e+01 91.834  -8.92769e-02 2.78824e+00  0.00000e+00 0.00000e+00 1.67657e+02 91.834  1.20011e+02 91.834  0.7931 
1 1 1 11 8  19 o 14 1.66408e+02 2.06018e+01 2.92906e+01 297.472 6.22169e-01  -1.19658e+00 0.00000e+00 0.00000e+00 7.52342e+01 297.472 4.59436e+01 297.472 0.5564 
1 1 1 11 8  20 o 4  1.10513e+02 2.65266e+01 7.56708e+01 150.921 -2.56060e+00 1.42400e+00  0.00000e+00 0.00000e+00 2.57046e+01 150.921 4.99662e+01 330.921 0.8047 
1 1 1 11 8  21 o 5  1.68820e+02 2.10494e+01 4.71115e+01 223.836 -1.98340e+00 -1.90440e+00 0.00000e+00 0.00000e+00 1.06435e+02 223.836 5.93234e+01 223.836 0.7896 
1 1 1 11 8  23 o 7  8.91520e+01 3.24285e+01 4.78849e+01 12.815  1.75949e+00  4.00235e-01  0.00000e+00 0.00000e+00 2.17150e+01 12.815  2.61699e+01 192.815 0.6629 
1 1 1 11 8  24 o 5  1.13686e+02 4.55770e+01 1.06329e+02 95.468  -4.25905e-01 4.44942e+00  0.00000e+00 0.00000e+00 1.28194e+01 95.468  9.35099e+01 275.468 0.8794 
1 1 1 11 8  25 o 5  8.97180e+01 2.92898e+01 3.48643e+01 240.693 -8.61236e-01 -1.53430e+00 0.00000e+00 0.00000e+00 3.59360e+01 240.693 1.07166e+00 240.693 0.6541 
1 1 1 11 8  26 o 4  1.44735e+02 2.64817e+01 7.35889e+01 295.244 3.40620e+00  -7.22423e+00 0.00000e+00 0.00000e+00 9.18249e+01 295.244 1.82361e+01 295.244 0.9351 
1 1 1 11 8  27 o 9  5.33635e+01 2.42635e+01 3.07308e+01 26.131  1.46682e+00  7.19575e-01  0.00000e+00 0.00000e+00 1.07457e+01 26.131  1.99851e+01 206.131 0.6275 
1 1 1 11 8  28 o 13 8.68324e+01 3.78499e+01 6.85400e+01 95.320  -3.59853e-01 3.86421e+00  0.00000e+00 0.00000e+00 2.51132e+01 95.320  4.34268e+01 275.320 0.8588 
1 1 1 11 8  29 o 3  6.13240e+01 2.83942e+01 1.06834e+01 190.965 -6.08305e-01 -1.17854e-01 0.00000e+00 0.00000e+00 1.24307e+01 190.965 1.74733e+00 190.965 0.2958 
1 1 1 11 8  30 o 9  7.62908e+01 2.97545e+01 3.28390e+01 260.161 -4.42246e-01 -2.55007e+00 0.00000e+00 0.00000e+00 4.35476e+01 260.161 1.07086e+01 260.161 0.7743 
1 1 1 11 8  31 o 9  5.78893e+01 2.63250e+01 2.68409e+01 153.885 -1.87122e+00 9.17297e-01  0.00000e+00 0.00000e+00 2.72179e+01 153.885 3.77073e-01 153.885 0.7111 
1 1 1 11 8  32 o 12 4.88666e+01 2.37873e+01 4.41332e+00 69.042  1.29760e-01  3.38786e-01  0.00000e+00 0.00000e+00 7.22329e+00 69.042  2.80997e+00 69.042  0.1785 
1 1 1 11 8  33 o 10 5.17147e+01 2.46225e+01 1.55306e+01 301.198 7.16181e-01  -1.18266e+00 0.00000e+00 0.00000e+00 2.41515e+01 301.198 8.62096e+00 301.198 0.5657 
1 1 1 11 9  0  o 8  2.50802e+01 1.73969e+01 1.77577e+01 270.000 -2.00177e-18 -3.26914e-02 0.00000e+00 0.00000e+00 1.69053e+01 90.000  3.46631e+01 90.000  0.0327 
1 1 1 11 9  1  o 19 2.90456e+02 1.61219e+01 7.93936e+01 168.514 -3.28571e+00 6.67670e-01  0.00000e+00 0.00000e+00 1.72306e+02 168.514 9.29124e+01 168.514 0.8330 
1 1 1 11 9  2  o 7  1.35564e+02 1.75869e+01 2.44411e+01 296.814 2.15595e-01  -4.26554e-01 0.00000e+00 0.00000e+00 8.35682e+00 296.814 1.60843e+01 116.814 0.2324 
1 1 1 11 9  3  o 5  6.60071e+02 2.32546e+01 2.30766e+02 339.116 2.13769e+01  -8.15630e+00 0.00000e+00 0.00000e+00 4.42056e+02 339.116 2.11290e+02 339.116 0.9779 
1 1 1 11 9  4  o 11 1.63425e+02 1.73266e+01 1.84543e+01 328.397 3.89491e-01  -2.39644e-01 0.00000e+00 0.00000e+00 1.95796e+01 328.397 1.12529e+00 328.397 0.2229 
1 1 1 11 9  5  f 0  7.55377e+02 2.06655e+01 3.44648e+02 170.999 -3.81421e+01 6.04202e+00  0.00000e+00 0.00000e+00 4.35605e+02 170.999 9.09578e+01 170.999 0.9870 
1 1 1 11 9  6  o 11 3.45152e+02 1.38722e+01 1.53983e+02 254.057 -2.59553e+00 -9.08568e+00 0.00000e+00 0.00000e+00 1.88507e+02 254.057 3.45239e+01 254.057 0.9455 
1 1 1 11 9  7  o 11 5.06556e+02 1.60884e+01 2.52859e+02 328.480 1.79891e+01  -1.10322e+01 0.00000e+00 0.00000e+00 2.67712e+02 328.480 1.48522e+01 328.480 0.9760 
1 1 1 11 9  8  o 3  4.55421e+02 1.87864e+01 2.36701e+02 79.994  3.00454e+00  1.70297e+01  0.00000e+00 0.00000e+00 2.30509e+02 79.994  6.19243e+00 259.994 0.9706 
1 1 1 11 9  9  o 9  2.96293e+02 1.67883e+01 7.93821e+01 280.974 7.02636e-01  -3.62345e+00 0.00000e+00 0.00000e+00 1.88099e+02 280.974 1.08717e+02 280.974 0.8505 
1 1 1 11 9  10 o 1  3.32951e+02 1.22369e+01 2.27918e+02 5.293   1.26647e+01  1.17337e+00  0.00000e+00 0.00000e+00 1.12933e+02 5.293   1.14985e+02 185.293 0.9598 
1 1 1 11 9  11 o 12 6.71607e+02 1.67128e+01 1.82542e+02 141.698 -1.18050e+01 9.32382e+00  0.00000e+00 0.00000e+00 5.13204e+02 141.698 3.30662e+02 141.698 0.9662 
1 1 1 11 9  12 o 8  5.62416e+02 1.50561e+01 2.23680e+02 257.990 -4.32910e+00 -2.03498e+01 0.00000e+00 0.00000e+00 3.68099e+02 257.990 1.44419e+02 257.990 0.9757 
1 1 1 11 9  13 o 16 7.93035e+02 1.87804e+01 3.41286e+02 60.056  1.98803e+01  3.45119e+01  0.00000e+00 0.00000e+00 5.08501e+02 60.056  1.67214e+02 60.056  0.9874 
1 1 1 11 9  14 o 18 3.98426e+02 1.54504e+01 1.05289e+02 124.274 -3.61691e+00 5.30730e+00  0.00000e+00 0.00000e+00 2.94569e+02 124.274 1.89280e+02 124.274 0.9185 
1 1 1 11 9  15 o 1  4.55841e+02 1.63510e+01 2.23893e+02 252.837 -5.53258e+00 -1.79136e+01 0.00000e+00 0.00000e+00 2.64286e+02 252.837 4.03925e+01 252.837 0.9730 
1 1 1 11 9  16 o 6  4.89033e+02 1.73448e+01 1.65575e+02 53.701  1.00112e+01  1.36289e+01  0.00000e+00 0.00000e+00 3.60640e+02 53.701  1.95065e+02 53.701  0.9700 
1 1 1 11 9  17 o 18 5.07716e+01 2.20589e+01 5.46745e+01 139.387 -5.42285e-01 4.65001e-01  0.00000e+00 0.00000e+00 3.55817e+01 319.387 9.02562e+01 319.387 0.3362 
1 1 1 11 9  18 o 7  2.64564e+02 1.60868e+01 5.13975e+01 347.054 3.66481e+00  -8.42429e-01 0.00000e+00 0.00000e+00 2.03471e+02 347.054 1.52074e+02 347.054 0.8536 
1 1 1 11 9  19 o 14 1.41885e+02 4.99291e+01 7.38216e+01 353.667 2.56989e+00  -2.85236e-01 0.00000e+00 0.00000e+00 5.12755e+01 353.667 2.25461e+01 173.667 0.7740 
1 1 1 11 9  20 o 3  1.46210e+02 5.20328e+01 1.53325e+02 208.288 -4.84449e+00 -2.60716e+00 0.00000e+00 0.00000e+00 1.30252e+00 28.288  1.54628e+02 28.288  0.9038 
1 1 1 11 9  21 o 15 1.99427e+02 1.83735e+01 7.99288e+01 126.364 -4.16383e+00 5.65516e+00  0.00000e+00 0.00000e+00 1.34668e+02 126.364 5.47395e+01 126.364 0.9258 
1 1 1 11 9  22 o 2  1.17384e+02 4.49965e+01 6.74520e+01 36.464  2.12651e+00  1.57146e+00  0.00000e+00 0.00000e+00 4.01044e+01 36.464  2.73476e+01 216.464 0.7798 
1 1 1 11 9  23 o 6  7.55461e+01 2.99329e+01 5.07054e+01 271.039 2.76543e-02  -1.52550e+00 0.00000e+00 0.00000e+00 3.38113e+00 271.039 4.73243e+01 91.039  0.6024 
1 1 1 11 9  24 o 2  7.83781e+01 2.78010e+01 2.79333e+01 204.258 -1.11372e+00 -5.01875e-01 0.00000e+00 0.00000e+00 2.10246e+01 204.258 6.90875e+00 24.258  0.5194 
1 1 1 11 9  25 o 12 5.50812e+01 2.48345e+01 2.22554e+01 197.312 -7.64652e-01 -2.38344e-01 0.00000e+00 0.00000e+00 2.65514e+00 197.312 1.96002e+01 17.312  0.3714 
1 1 1 11 9  26 o 1  6.44103e+01 2.72312e+01 1.57098e+01 292.344 2.95927e-01  -7.19981e-01 0.00000e+00 0.00000e+00 1.30804e+01 292.344 2.62942e+00 112.344 0.3624 
1 1 1 11 9  27 o 6  7.14896e+01 2.86261e+01 3.62299e+01 254.389 -5.89552e-01 -2.10992e+00 0.00000e+00 0.00000e+00 2.87069e+01 254.389 7.52303e+00 74.389  0.7267 
1 1 1 11 9  28 o 4  6.35569e+01 2.72123e+01 3.60727e+01 20.411  2.01703e+00  7.50571e-01  0.00000e+00 0.00000e+00 2.20222e+01 20.411  1.40505e+01 200.411 0.7212 
1 1 1 11 9  29 o 1  4.90340e+01 2.39078e+01 2.23222e+01 38.723  1.03566e+00  8.30390e-01  0.00000e+00 0.00000e+00 1.23825e+01 38.723  9.93961e+00 218.723 0.5505 
1 1 1 11 9  30 o 2  5.52523e+01 2.52854e+01 3.05264e+01 175.793 -2.05398e+00 1.51097e-01  0.00000e+00 0.00000e+00 2.04724e+01 175.793 1.00540e+01 355.793 0.7073 
1 1 1 11 9  31 o 9  5.35728e+01 2.58146e+01 1.44205e+01 89.690  5.62684e-03  1.03839e+00  0.00000e+00 0.00000e+00 1.82249e+01 89.690  3.80436e+00 89.690  0.4598 
1 1 1 11 9  32 o 19 5.82396e+01 2.70980e+01 8.76213e+00 3.892   7.34650e-01  4.99856e-02  0.00000e+00 0.00000e+00 1.83132e+01 3.892   9.55102e+00 3.892   0.3453 
1 1 1 11 10 0  o 12 8.97602e+01 3.28795e+01 3.56510e+00 270.000 -1.45263e-18 -2.37233e-02 0.00000e+00 0.00000e+00 1.32840e+00 90.000  4.89350e+00 90.000  0.0237 
1 1 1 11 10 1  o 11 4.37363e+02 1.82944e+01 1.23813e+02 326.763 6.81579e+00  -4.46648e+00 0.00000e+00 0.00000e+00 3.06589e+02 326.763 1.82776e+02 326.763 0.9365 
1 1 1 11 10 2  o 2  2.68361e+02 1.60991e+01 1.35753e+02 302.352 3.50583e+00  -5.53457e+00 0.00000e+00 0.00000e+00 1.23934e+02 302.352 1.18192e+01 122.352 0.9202 
1 1 1 11 10 3  o 7  1.30939e+02 1.51261e+01 9.23317e+01 174.813 -2.15720e+00 1.95816e-01  0.00000e+00 0.00000e+00 7.38534e+00 174.813 8.49464e+01 354.813 0.7232 
1 1 1 11 10 4  o 5  1.91983e+02 1.70024e+01 1.12112e+02 68.551  1.38948e+00  3.53664e+00  0.00000e+00 0.00000e+00 6.11061e+01 68.551  5.10057e+01 248.551 0.8554 
1 1 1 11 10 5  o 8  1.03462e+02 1.73174e+01 8.78083e+01 39.163  1.16454e+00  9.48529e-01  0.00000e+00 0.00000e+00 2.25487e+01 219.163 1.10357e+02 219.163 0.5966 
1 1 1 11 10 6  o 12 3.99520e+02 1.45858e+01 1.38281e+02 285.123 2.36822e+00  -8.76280e+00 0.00000e+00 0.00000e+00 2.61216e+02 285.123 1.22935e+02 285.123 0.9432 
1 1 1 11 10 7  o 4  1.75270e+02 1.44197e+01 1.36013e+02 188.949 -3.78055e+00 -5.95326e-01 0.00000e+00 0.00000e+00 2.36654e+01 188.949 1.12348e+02 8.949   0.8565 
1 1 1 11 10 8  o 17 3.33177e+02 1.69831e+01 9.18119e+01 177.604 -5.16548e+00 2.16133e-01  0.00000e+00 0.00000e+00 2.27338e+02 177.604 1.35526e+02 177.604 0.8972 
1 1 1 11 10 9  o 1  4.09466e+02 1.82141e+01 2.06066e+02 352.836 1.38220e+01  -1.73722e+00 0.00000e+00 0.00000e+00 2.16925e+02 352.836 1.08591e+01 352.836 0.9634 
1 1 1 11 10 10 o 9  1.75177e+02 1.31926e+01 1.02733e+02 163.735 -2.14214e+00 6.24997e-01  0.00000e+00 0.00000e+00 3.54890e+01 163.735 6.72435e+01 343.735 0.7323 
1 1 1 11 10 11 o 18 3.55701e+02 1.27152e+01 1.78458e+02 201.662 -9.86907e+00 -3.91988e+00 0.00000e+00 0.00000e+00 1.88199e+02 201.662 9.74057e+00 201.662 0.9517 
1 1 1 11 10 12 o 18 5.69313e+02 1.52027e+01 2.47999e+02 336.454 1.93798e+01  -8.44509e+00 0.00000e+00 0.00000e+00 3.57378e+02 336.454 1.09379e+02 336.454 0.9761 
1 1 1 11 10 13 o 14 5.14748e+02 1.46799e+01 2.17990e+02 69.349  6.12743e+00  1.62581e+01  0.00000e+00 0.00000e+00 3.29852e+02 69.349  1.11862e+02 69.349  0.9708 
1 1 1 11 10 14 o 1  2.37676e+02 1.54292e+01 1.04733e+02 304.321 2.15358e+00  -3.15454e+00 0.00000e+00 0.00000e+00 1.19894e+02 304.321 1.51607e+01 304.321 0.8562 
1 1 1 11 10 15 o 12 4.45118e+02 1.66866e+01 1.41171e+02 353.695 1.32369e+01  -1.46243e+00 0.00000e+00 0.00000e+00 3.34802e+02 353.695 1.93631e+02 353.695 0.9617 
1 1 1 11 10 16 o 18 3.18235e+02 1.65383e+01 2.26061e+02 115.162 -7.05698e+00 1.50229e+01  0.00000e+00 0.00000e+00 1.19651e+02 115.162 1.06411e+02 295.162 0.9694 
1 1 1 11 10 17 o 9  2.71253e+02 1.56034e+01 1.17683e+02 248.769 -2.83027e+00 -7.28512e+00 0.00000e+00 0.00000e+00 1.68496e+02 248.769 5.08129e+01 248.769 0.9336 
1 1 1 11 10 18 o 6  2.45828e+02 1.69383e+01 1.37045e+02 278.270 1.37671e+00  -9.47173e+00 0.00000e+00 0.00000e+00 1.28134e+02 278.270 8.91045e+00 98.270  0.9462 
1 1 1 11 10 19 o 14 2.00180e+02 2.62846e+01 8.73870e+01 107.847 -1.89215e+00 5.87664e+00  0.00000e+00 0.00000e+00 1.23378e+02 107.847 3.59910e+01 107.847 0.9150 
1 1 1 11 10 20 o 6  1.13202e+02 2.52879e+01 6.33724e+01 330.819 2.09706e+00  -1.17111e+00 0.00000e+00 0.00000e+00 3.58026e+01 330.819 2.75699e+01 150.819 0.7539 
1 1 1 11 10 21 o 7  2.11938e+02 1.76655e+01 1.02076e+02 343.709 9.34187e+00  -2.73015e+00 0.00000e+00 0.00000e+00 1.33620e+02 343.709 3.15443e+01 343.709 0.9471 
1 1 1 11 10 22 o 3  1.43728e+02 2.76286e+01 6.94309e+01 121.287 -2.37618e+00 3.91011e+00  0.00000e+00 0.00000e+00 8.11250e+01 121.287 1.16941e+01 121.287 0.8825 
1 1 1 11 10 23 o 2  1.46999e+02 2.25940e+01 6.73460e+01 119.354 -2.23306e+00 3.97050e+00  0.00000e+00 0.00000e+00 8.82922e+01 119.354 2.09462e+01 119.354 0.8819 
1 1 1 11 10 24 o 5  1.22043e+02 2.55291e+01 4.08445e+01 304.341 1.71408e+00  -2.50889e+00 0.00000e+00 0.00000e+00 7.96611e+01 304.341 3.88166e+01 304.341 0.8128 
1 1 1 11 10 25 o 16 4.72620e+01 2.22528e+01 3.83785e+01 194.641 -1.35357e+00 -3.53623e-01 0.00000e+00 0.00000e+00 5.23605e+00 14.641  4.36145e+01 14.641  0.5702 
1 1 1 11 10 26 o 14 1.11886e+02 2.86035e+01 6.16316e+01 132.316 -3.81087e+00 4.18582e+00  0.00000e+00 0.00000e+00 6.47625e+01 132.316 3.13088e+00 132.316 0.9067 
1 1 1 11 10 27 o 3  5.92847e+01 2.60253e+01 2.62569e+01 280.436 2.67838e-01  -1.45423e+00 0.00000e+00 0.00000e+00 1.79681e+01 280.436 8.28883e+00 100.436 0.5908 
1 1 1 11 10 28 o 3  8.01129e+01 3.01840e+01 5.11013e+01 285.869 9.67272e-01  -3.40268e+00 0.00000e+00 0.00000e+00 3.53642e+01 285.869 1.57371e+01 105.869 0.8430 
1 1 1 11 10 29 o 12 7.67452e+01 3.22435e+01 1.92848e+01 296.748 6.35097e-01  -1.26009e+00 0.00000e+00 0.00000e+00 3.78663e+01 296.748 1.85815e+01 296.748 0.5734 
1 1 1 11 10 30 o 6  8.37626e+01 3.18587e+01 3.49704e+01 84.523  2.73521e-01  2.85255e+00  0.00000e+00 0.00000e+00 5.33147e+01 84.523  1.83443e+01 84.523  0.7995 
1 1 1 11 10 31 o 9  4.96462e+01 2.36857e+01 2.52285e+01 51.393  1.29090e+00  1.61667e+00  0.00000e+00 0.00000e+00 2.18761e+01 51.393  3.35238e+00 231.393 0.7088 
1 1 1 11 10 32 o 9  7.78005e+01 3.17702e+01 1.99632e+01 272.325 7.37137e-02  -1.81518e+00 0.00000e+00 0.00000e+00 5.04323e+01 272.325 3.04692e+01 272.325 0.6653 
1 1 1 11 11 0  o 17 2.42933e+01 1.71079e+01 4.30302e+01 270.000 -5.39538e-18 -8.81132e-02 0.00000e+00 0.00000e+00 4.07620e+01 90.000  8.37922e+01 90.000  0.0879 
1 1 1 11 11 1  o 4  4.40801e+02 1.83073e+01 7.22579e+01 266.468 -3.24880e-01 -5.26361e+00 0.00000e+00 0.00000e+00 3.49032e+02 266.468 2.76774e+02 266.468 0.8994 
1 1 1 11 11 2  o 6  1.14618e+02 1.96602e+01 8.55544e+01 259.974 -2.80327e-01 -1.58563e+00 0.00000e+00 0.00000e+00 9.70907e+00 79.974  9.52635e+01 79.974  0.6222 
1 1 1 11 11 3  o 8  2.56025e+02 1.34173e+01 1.63308e+02 253.490 -1.97444e+00 -6.66132e+00 0.00000e+00 0.00000e+00 8.88517e+01 253.490 7.44565e+01 73.490  0.9249 
1 1 1 11 11 4  o 14 2.25562e+02 1.67489e+01 6.89656e+01 194.668 -2.45732e+00 -6.43214e-01 0.00000e+00 0.00000e+00 1.16132e+02 194.668 4.71667e+01 194.668 0.7693 
1 1 1 11 11 5  o 9  3.68184e+02 1.42339e+01 1.55473e+02 246.539 -3.67749e+00 -8.47351e+00 0.00000e+00 0.00000e+00 2.16204e+02 246.539 6.07308e+01 246.539 0.9442 
1 1 1 11 11 6  o 15 4.74724e+02 1.56938e+01 2.30229e+02 28.955  1.51731e+01  8.39513e+00  0.00000e+00 0.00000e+00 2.63823e+02 28.955  3.35935e+01 28.955  0.9707 
1 1 1 11 11 7  o 11 8.43949e+02 2.76808e+01 3.46045e+02 81.581  6.88713e+00  4.65339e+01  0.00000e+00 0.00000e+00 5.52023e+02 81.581  2.05978e+02 81.581  0.9893 
1 1 1 11 11 8  o 9  2.74183e+02 1.67943e+01 1.78550e+02 249.244 -2.17463e+00 -5.73799e+00 0.00000e+00 0.00000e+00 9.21522e+01 249.244 8.63979e+01 69.244  0.9144 
1 1 1 11 11 9  o 12 1.74312e+02 1.56039e+01 2.66145e+01 246.259 -2.55029e-01 -5.79855e-01 0.00000e+00 0.00000e+00 3.04366e+01 246.259 3.82207e+00 246.259 0.3018 
1 1 1 11 11 10 o 18 5.08662e+02 1.65649e+01 1.61090e+02 150.388 -1.18148e+01 6.71488e+00  0.00000e+00 0.00000e+00 3.72322e+02 150.388 2.11232e+02 150.388 0.9625 
1 1 1 11 11 11 o 18 1.01813e+02 1.92361e+01 1.99218e+01 299.609 1.48905e-01  -2.62018e-01 0.00000e+00 0.00000e+00 3.30539e+00 119.610 2.32272e+01 119.610 0.1490 
1 1 1 11 11 12 o 18 1.16584e+03 2.55720e+01 3.98253e+02 30.769  5.98725e+01  3.56472e+01  0.00000e+00 0.00000e+00 8.76907e+02 30.769  4.78654e+02 30.769  0.9928 
1 1 1 11 11 13 o 19 3.55776e+02 1.33386e+01 1.58883e+02 211.651 -7.47731e+00 -4.60931e+00 0.00000e+00 0.00000e+00 2.12373e+02 211.651 5.34894e+01 211.651 0.9412 
1 1 1 11 11 14 o 13 9.28580e+02 2.13616e+01 3.02406e+02 272.783 2.85526e+00  -5.87275e+01 0.00000e+00 0.00000e+00 7.25263e+02 272.783 4.22857e+02 272.783 0.9915 
1 1 1 11 11 15 o 19 3.34872e+02 1.61218e+01 1.02835e+02 60.640  3.94273e+00  7.00868e+00  0.00000e+00 0.00000e+00 2.49452e+02 60.640  1.46616e+02 60.640  0.9356 
1 1 1 11 11 16 o 17 2.60995e+02 1.70231e+01 1.00331e+02 155.196 -5.84943e+00 2.70331e+00  0.00000e+00 0.00000e+00 1.71412e+02 155.196 7.10803e+01 155.196 0.9187 
1 1 1 11 11 17 o 14 2.74238e+02 1.78883e+01 1.03007e+02 358.879 7.74106e+00  -1.51441e-01 0.00000e+00 0.00000e+00 1.89374e+02 358.879 8.63676e+01 358.879 0.9330 
1 1 1 11 11 18 o 6  1.73563e+02 1.89804e+01 3.22143e+01 33.535  1.64672e+00  1.09137e+00  0.00000e+00 0.00000e+00 1.06594e+02 33.535  7.43799e+01 33.535  0.6937 
1 1 1 11 11 20 o 18 1.21452e+02 2.49727e+01 6.06192e+01 89.200  4.23517e-02  3.03374e+00  0.00000e+00 0.00000e+00 5.53417e+01 89.200  5.27747e+00 269.200 0.8125 
1 1 1 11 11 22 o 1  1.19380e+02 4.06538e+01 1.10051e+02 261.152 -6.84495e-01 -4.39724e+00 0.00000e+00 0.00000e+00 1.58843e+01 261.152 9.41664e+01 81.152  0.8788 
1 1 1 11 11 23 f 0  1.39030e+02 2.31345e+01 9.20774e+01 164.949 -7.54288e+00 2.02837e+00  0.00000e+00 0.00000e+00 6.55017e+01 164.949 2.65756e+01 344.949 0.9336 
1 1 1 11 11 24 o 16 7.88416e+01 2.83160e+01 4.14126e+01 65.467  8.29257e-01  1.81688e+00  0.00000e+00 0.00000e+00 2.61268e+01 65.467  1.52859e+01 245.467 0.6973 
1 1 1 11 11 25 o 7  6.52593e+01 2.73468e+01 2.53007e+00 253.568 -3.59906e-02 -1.22030e-01 0.00000e+00 0.00000e+00 2.62289e+00 253.568 9.28155e-02 253.568 0.0635 
1 1 1 11 11 26 o 5  5.90438e+01 2.57773e+01 3.83493e+01 104.966 -5.55716e-01 2.07892e+00  0.00000e+00 0.00000e+00 1.52999e+01 104.966 2.30494e+01 284.966 0.7212 
1 1 1 11 11 27 o 9  5.09121e+01 2.40063e+01 2.60170e+01 359.927 1.38518e+00  -1.76724e-03 0.00000e+00 0.00000e+00 1.08051e+01 359.927 1.52119e+01 179.927 0.5664 
1 1 1 11 11 28 o 14 6.09361e+01 2.67015e+01 2.81890e+01 228.582 -1.24531e+00 -1.41161e+00 0.00000e+00 0.00000e+00 2.52588e+01 228.582 2.93025e+00 48.582  0.6775 
1 1 1 11 11 29 o 19 5.57656e+01 2.65789e+01 4.10473e+01 180.515 -2.66090e+00 -2.39036e-02 0.00000e+00 0.00000e+00 1.61869e+01 180.515 2.48604e+01 0.515   0.7814 
1 1 1 11 11 30 o 14 7.40580e+01 3.25382e+01 1.76406e+01 4.354   1.29757e+00  9.87933e-02  0.00000e+00 0.00000e+00 3.59724e+01 4.354   1.83317e+01 4.354   0.5430 
1 1 1 11 11 31 o 5  5.60394e+01 2.60677e+01 4.07139e+01 356.324 3.37764e+00  -2.17008e-01 0.00000e+00 0.00000e+00 2.26202e+01 356.324 1.80937e+01 176.324 0.8348 
1 1 1 11 11 32 o 11 6.31118e+01 2.94534e+01 1.31398e+01 258.824 -2.10365e-01 -1.06479e+00 0.00000e+00 0.00000e+00 2.81646e+01 258.824 1.50249e+01 258.824 0.4758 
1 1 1 11 12 0  o 12 1.84634e+02 2.43476e+01 1.43093e+02 270.000 -1.29932e-16 -2.12195e+00 0.00000e+00 0.00000e+00 4.98654e+01 270.000 9.32278e+01 90.000  0.9717 
1 1 1 11 12 1  o 19 3.66402e+02 1.72229e+01 1.37691e+02 151.417 -7.10763e+00 3.87242e+00  0.00000e+00 0.00000e+00 2.31261e+02 151.417 9.35705e+01 151.417 0.9360 
1 1 1 11 12 2  o 19 4.98626e+02 1.95691e+01 1.91147e+02 179.787 -1.51241e+01 5.60957e-02  0.00000e+00 0.00000e+00 3.27615e+02 179.787 1.36468e+02 179.787 0.9664 
1 1 1 11 12 3  o 14 2.18265e+02 1.67875e+01 1.57878e+02 297.862 2.56253e+00  -4.84744e+00 0.00000e+00 0.00000e+00 5.46988e+01 297.862 1.03179e+02 117.862 0.9035 
1 1 1 11 12 4  o 19 2.20834e+02 1.36795e+01 1.06673e+02 141.066 -3.14798e+00 2.54321e+00  0.00000e+00 0.00000e+00 9.96774e+01 141.066 6.99528e+00 321.066 0.8653 
1 1 1 11 12 5  o 10 1.15976e+02 2.21694e+01 8.25736e+01 271.681 4.64497e-02  -1.58306e+00 0.00000e+00 0.00000e+00 5.23042e+00 91.681  8.78041e+01 91.681  0.6162 
1 1 1 11 12 6  o 3  3.94496e+02 1.47302e+01 8.58637e+01 7.185   4.26123e+00  5.37191e-01  0.00000e+00 0.00000e+00 2.88337e+02 7.185   2.02473e+02 7.185   0.8740 
1 1 1 11 12 7  o 13 1.57926e+02 1.83531e+01 1.93078e+02 78.371  7.61891e-01  3.70224e+00  0.00000e+00 0.00000e+00 4.61360e+01 258.371 2.39214e+02 258.371 0.8545 
1 1 1 11 12 8  o 14 6.49029e+02 2.29097e+01 2.24916e+02 318.578 1.45698e+01  -1.28551e+01 0.00000e+00 0.00000e+00 4.65982e+02 318.578 2.41066e+02 318.578 0.9739 
1 1 1 11 12 9  o 8  4.58448e+02 1.58268e+01 2.32922e+02 259.093 -3.35001e+00 -1.73852e+01 0.00000e+00 0.00000e+00 2.55898e+02 259.093 2.29753e+01 259.093 0.9713 
1 1 1 11 12 10 o 18 3.27609e+02 1.48048e+01 1.04813e+02 63.026  2.34272e+00  4.60294e+00  0.00000e+00 0.00000e+00 2.19342e+02 63.026  1.14529e+02 63.026  0.8971 
1 1 1 11 12 11 o 18 3.97882e+02 1.54724e+01 3.11463e+02 37.892  1.52286e+01  1.18516e+01  0.00000e+00 0.00000e+00 1.18138e+02 37.892  1.93325e+02 217.892 0.9737 
1 1 1 11 12 12 f 0  2.43251e+02 1.33780e+01 9.60530e+01 157.887 -3.37693e+00 1.37215e+00  0.00000e+00 0.00000e+00 1.34097e+02 157.887 3.80442e+01 157.887 0.8483 
1 1 1 11 12 13 o 5  9.73125e+02 2.22292e+01 3.48772e+02 260.174 -1.21396e+01 -7.00890e+01 0.00000e+00 0.00000e+00 7.35708e+02 260.174 3.86937e+02 260.174 0.9929 
1 1 1 11 12 14 o 9  2.94726e+02 1.40202e+01 4.20896e+01 345.592 2.85009e+00  -7.32182e-01 0.00000e+00 0.00000e+00 2.26229e+02 345.592 1.84140e+02 345.592 0.8057 
1 1 1 11 12 15 o 6  3.65050e+02 1.68478e+01 2.20886e+02 135.072 -1.52428e+01 1.52046e+01  0.00000e+00 0.00000e+00 1.84886e+02 135.072 3.60001e+01 315.072 0.9765 
1 1 1 11 12 16 o 15 3.42961e+02 1.70077e+01 1.46121e+02 279.704 2.34950e+00  -1.37392e+01 0.00000e+00 0.00000e+00 2.32951e+02 279.704 8.68299e+01 279.704 0.9634 
1 1 1 11 12 17 o 1  2.75982e+02 1.75684e+01 1.44904e+02 6.862   1.43301e+01  1.72443e+00  0.00000e+00 0.00000e+00 1.63095e+02 6.862   1.81910e+01 6.862   0.9647 
1 1 1 11 12 18 o 15 2.06040e+02 1.75725e+01 8.34064e+01 103.287 -1.48825e+00 6.30224e+00  0.00000e+00 0.00000e+00 1.37622e+02 103.287 5.42161e+01 103.287 0.9192 
1 1 1 11 12 19 o 11 2.30404e+02 1.69740e+01 6.66945e+01 340.192 5.20665e+00  -1.87534e+00 0.00000e+00 0.00000e+00 1.78794e+02 340.192 1.12099e+02 340.192 0.9045 
1 1 1 11 12 20 o 18 5.82291e+01 2.45816e+01 2.12150e+01 174.261 -5.14448e-01 5.16995e-02  0.00000e+00 0.00000e+00 3.87941e+00 354.261 2.50944e+01 354.261 0.2502 
1 1 1 11 12 21 o 4  7.42755e+01 2.82007e+01 6.19378e+01 161.145 -1.98338e+00 6.77309e-01  0.00000e+00 0.00000e+00 1.71117e+00 161.145 6.02266e+01 341.145 0.7129 
1 1 1 11 12 22 o 3  1.34436e+02 2.64076e+01 3.30615e+01 262.588 -3.07906e-01 -2.36671e+00 0.00000e+00 0.00000e+00 8.97977e+01 262.588 5.67362e+01 262.588 0.7521 
1 1 1 11 12 23 o 11 5.76375e+01 2.48640e+01 2.09201e+01 327.130 6.27640e-01  -4.05568e-01 0.00000e+00 0.00000e+00 3.85652e+00 327.130 1.70636e+01 147.130 0.3498 
1 1 1 11 12 24 o 19 7.03212e+01 2.88662e+01 1.52279e+01 290.438 2.49223e-01  -6.68789e-01 0.00000e+00 0.00000e+00 1.41493e+01 290.438 1.07854e+00 110.438 0.3359 
1 1 1 11 12 25 o 4  6.25303e+01 2.69707e+01 1.65033e+01 152.820 -7.92161e-01 4.06765e-01  0.00000e+00 0.00000e+00 1.54817e+01 152.820 1.02160e+00 332.820 0.4062 
1 1 1 11 12 26 o 3  6.99872e+01 2.83915e+01 2.23902e+01 321.856 1.08873e+00  -8.55025e-01 0.00000e+00 0.00000e+00 2.81519e+01 321.856 5.76173e+00 321.856 0.5662 
1 1 1 11 12 27 o 7  5.29032e+01 2.43838e+01 2.61129e+01 23.357  1.33307e+00  5.75682e-01  0.00000e+00 0.00000e+00 1.38260e+01 23.357  1.22869e+01 203.357 0.5841 
1 1 1 11 12 28 o 1  6.26187e+01 2.71438e+01 3.34291e+01 114.455 -1.01736e+00 2.23702e+00  0.00000e+00 0.00000e+00 2.89683e+01 114.455 4.46089e+00 294.455 0.7603 
1 1 1 11 12 29 o 18 5.16061e+01 2.42633e+01 1.66959e+01 90.980  -1.99073e-02 1.16427e+00  0.00000e+00 0.00000e+00 1.77239e+01 90.980  1.02799e+00 90.980  0.5016 
1 1 1 11 12 30 o 3  5.62582e+01 2.69815e+01 1.56136e+01 319.385 9.34243e-01  -8.01159e-01 0.00000e+00 0.00000e+00 2.40327e+01 319.385 8.41912e+00 319.385 0.5222 
1 1 1 11 12 31 o 2  4.72812e+01 2.29211e+01 4.45865e+01 229.717 -2.45083e+00 -2.89163e+00 0.00000e+00 0.00000e+00 1.08119e+01 229.717 3.37746e+01 49.717  0.8550 
1 1 1 11 13 0  o 6  2.03168e+02 2.40328e+01 1.10201e+02 90.000  1.15619e-16  1.88821e+00  0.00000e+00 0.00000e+00 1.01325e+02 90.000  8.87623e+00 270.000 0.9552 
1 1 1 11 13 1  o 14 1.49007e+02 1.75343e+01 1.39237e+02 253.995 -9.62114e-01 -3.35428e+00 0.00000e+00 0.00000e+00 2.68757e+00 73.995  1.41925e+02 73.995  0.8406 
1 1 1 11 13 2  o 1  4.45193e+02 1.86222e+01 2.10609e+02 343.327 1.13944e+01  -3.41252e+00 0.00000e+00 0.00000e+00 2.54231e+02 343.327 4.36217e+01 343.327 0.9570 
1 1 1 11 13 3  o 9  4.29033e+01 1.83831e+01 5.35504e+01 34.893  2.37865e-01  1.65891e-01  0.00000e+00 0.00000e+00 4.68250e+01 214.893 1.00375e+02 214.893 0.1435 
1 1 1 11 13 4  o 9  4.36995e+02 1.52491e+01 2.68870e+02 153.392 -1.32531e+01 6.63891e+00  0.00000e+00 0.00000e+00 1.92935e+02 153.392 7.59353e+01 333.392 0.9657 
1 1 1 11 13 5  o 10 5.67590e+02 2.12755e+01 1.75179e+02 100.891 -2.55561e+00 1.32822e+01  0.00000e+00 0.00000e+00 4.23904e+02 100.891 2.48726e+02 100.891 0.9623 
1 1 1 11 13 6  o 1  5.36863e+02 1.68384e+01 2.20268e+02 300.267 8.11546e+00  -1.39062e+01 0.00000e+00 0.00000e+00 3.51582e+02 300.267 1.31314e+02 300.267 0.9684 
1 1 1 11 13 8  o 12 8.05822e+01 2.49262e+01 8.41992e+01 313.401 6.87117e-01  -7.26572e-01 0.00000e+00 0.00000e+00 4.43540e+01 133.401 1.28553e+02 133.401 0.4464 
1 1 1 11 13 9  o 16 8.27270e+02 2.23291e+01 2.55145e+02 76.575  7.58548e+00  3.17795e+01  0.00000e+00 0.00000e+00 6.50952e+02 76.575  3.95807e+02 76.575  0.9846 
1 1 1 11 13 10 o 14 1.41911e+02 1.87995e+01 3.03105e+01 136.911 -4.92332e-01 4.60542e-01  0.00000e+00 0.00000e+00 2.03349e+01 136.911 9.97561e+00 316.911 0.3193 
1 1 1 11 13 11 o 19 4.01052e+02 1.57514e+01 6.77782e+01 284.361 1.26937e+00  -4.95773e+00 0.00000e+00 0.00000e+00 3.36042e+02 284.361 2.68263e+02 284.361 0.8960 
1 1 1 11 13 12 o 5  4.59282e+02 1.65799e+01 1.45046e+02 241.425 -6.87124e+00 -1.26157e+01 0.00000e+00 0.00000e+00 3.55655e+02 241.425 2.10609e+02 241.425 0.9645 
1 1 1 11 13 13 f 0  3.77532e+02 1.37477e+01 6.34759e+01 210.732 -4.91221e+00 -2.92036e+00 0.00000e+00 0.00000e+00 3.26291e+02 210.732 2.62815e+02 210.732 0.9077 
1 1 1 11 13 14 o 14 3.73895e+02 1.74763e+01 2.29126e+02 90.330  -1.32005e-01 2.29280e+01  0.00000e+00 0.00000e+00 1.89606e+02 90.330  3.95194e+01 270.330 0.9779 
1 1 1 11 13 15 o 13 1.27257e+02 2.25170e+01 6.63106e+01 77.797  4.82687e-01  2.23191e+00  0.00000e+00 0.00000e+00 4.22121e+01 77.797  2.40985e+01 257.797 0.7392 
1 1 1 11 13 16 o 7  3.99893e+02 1.70554e+01 1.30055e+02 337.530 1.37409e+01  -5.68323e+00 0.00000e+00 0.00000e+00 3.18959e+02 337.530 1.88904e+02 337.530 0.9658 
1 1 1 11 13 17 o 14 3.52315e+02 1.70066e+01 1.44208e+02 199.163 -1.86194e+01 -6.47068e+00 0.00000e+00 0.00000e+00 2.58212e+02 199.163 1.14004e+02 199.163 0.9743 
1 1 1 11 13 18 o 5  2.71059e+02 1.60305e+01 1.57555e+02 232.769 -9.46634e+00 -1.24572e+01 0.00000e+00 0.00000e+00 1.52617e+02 232.769 4.93785e+00 52.769  0.9675 
1 1 1 11 13 19 o 19 4.42774e+02 1.81134e+01 1.31578e+02 1.488   2.64611e+01  6.87592e-01  0.00000e+00 0.00000e+00 3.86938e+02 1.488   2.55360e+02 1.488   0.9809 
1 1 1 11 13 20 o 10 2.49261e+02 1.85159e+01 1.20092e+02 331.807 1.38743e+01  -7.43703e+00 0.00000e+00 0.00000e+00 1.70718e+02 331.807 5.06254e+01 331.807 0.9677 
1 1 1 11 13 21 o 12 9.87980e+01 3.83840e+01 1.11538e+02 167.338 -3.94583e+00 8.86504e-01  0.00000e+00 0.00000e+00 7.40981e+00 347.338 1.18948e+02 347.338 0.8652 
1 1 1 11 13 22 o 17 1.39616e+02 3.08247e+01 9.40770e+01 146.908 -5.82021e+00 3.79298e+00  0.00000e+00 0.00000e+00 6.49467e+01 146.908 2.91303e+01 326.908 0.9249 
1 1 1 11 13 23 o 18 8.98637e+01 2.90351e+01 5.26742e+01 359.236 2.85378e+00  -3.80479e-02 0.00000e+00 0.00000e+00 3.67075e+01 359.236 1.59667e+01 179.236 0.7986 
1 1 1 11 13 24 o 2  5.04460e+01 2.35160e+01 1.81234e+01 350.188 7.67484e-01  -1.32729e-01 0.00000e+00 0.00000e+00 4.93119e+00 350.188 1.31922e+01 170.188 0.3626 
1 1 1 11 13 25 o 4  6.72039e+01 2.75378e+01 2.40148e+01 203.894 -1.32787e+00 -5.88277e-01 0.00000e+00 0.00000e+00 2.60763e+01 203.894 2.06152e+00 203.894 0.5841 
1 1 1 11 13 26 o 6  5.92571e+01 2.62264e+01 4.26310e+01 330.618 2.14432e+00  -1.20740e+00 0.00000e+00 0.00000e+00 1.56304e+01 330.618 2.70006e+01 150.618 0.7607 
1 1 1 11 13 27 o 11 6.95549e+01 3.06011e+01 7.23019e+00 131.968 -3.17517e-01 3.53031e-01  0.00000e+00 0.00000e+00 1.38128e+01 131.968 6.58264e+00 131.968 0.2310 
1 1 1 11 13 28 o 9  8.58703e+01 3.10609e+01 4.42171e+01 141.635 -2.88417e+00 2.28311e+00  0.00000e+00 0.00000e+00 5.27189e+01 141.635 8.50184e+00 141.635 0.8499 
1 1 1 11 13 29 o 14 7.15597e+01 2.96291e+01 3.90809e+01 342.781 3.05365e+00  -9.46353e-01 0.00000e+00 0.00000e+00 4.03284e+01 342.781 1.24754e+00 342.781 0.8236 
1 1 1 11 13 30 o 18 7.59089e+01 3.31030e+01 2.54724e+01 6.149   1.96860e+00  2.12080e-01  0.00000e+00 0.00000e+00 4.66242e+01 6.149   2.11519e+01 6.149   0.6945 
1 1 1 11 13 31 o 4  6.61376e+01 2.88578e+01 4.10275e+01 181.238 -3.64871e+00 -7.88275e-02 0.00000e+00 0.00000e+00 3.69162e+01 181.238 4.11130e+00 1.238   0.8486 
1 1 1 11 14 0  o 18 1.38080e+02 3.12724e+01 6.09817e+01 270.000 -3.49598e-17 -5.70937e-01 0.00000e+00 0.00000e+00 1.78099e+01 270.000 4.31719e+01 90.000  0.5160 
1 1 1 11 14 1  o 9  5.06737e+02 1.98093e+01 1.81741e+02 342.788 1.20038e+01  -3.71854e+00 0.00000e+00 0.00000e+00 3.55944e+02 342.788 1.74203e+02 342.788 0.9593 
1 1 1 11 14 2  o 1  5.88151e+01 2.11801e+01 5.58209e+01 313.689 3.07164e-01  -3.21552e-01 0.00000e+00 0.00000e+00 4.16926e+01 133.689 9.75135e+01 133.689 0.2170 
1 1 1 11 14 3  o 2  4.07514e+02 1.48633e+01 1.88024e+02 174.812 -1.04595e+01 9.49630e-01  0.00000e+00 0.00000e+00 2.41539e+02 174.812 5.35147e+01 174.812 0.9511 
1 1 1 11 14 4  o 8  4.49303e+01 1.94401e+01 6.91993e+01 147.916 -4.39153e-01 2.75307e-01  0.00000e+00 0.00000e+00 5.66874e+01 327.916 1.25887e+02 327.916 0.2508 
1 1 1 11 14 5  o 15 4.60843e+02 1.94130e+01 1.32437e+02 296.025 4.42389e+00  -9.06042e+00 0.00000e+00 0.00000e+00 3.54230e+02 296.025 2.21793e+02 296.025 0.9490 
1 1 1 11 14 7  o 5  1.89245e+02 1.78295e+01 6.67691e+01 283.533 4.42545e-01  -1.83871e+00 0.00000e+00 0.00000e+00 7.71004e+01 283.533 1.03313e+01 283.533 0.6791 
1 1 1 11 14 8  o 13 9.83201e+01 2.23457e+01 3.39943e+01 243.669 -2.27782e-01 -4.60251e-01 0.00000e+00 0.00000e+00 6.52083e+00 63.669  4.05151e+01 63.669  0.2487 
1 1 1 11 14 9  o 18 6.15720e+02 1.84422e+01 2.84834e+02 136.993 -2.00229e+01 1.86764e+01  0.00000e+00 0.00000e+00 3.97242e+02 136.993 1.12408e+02 136.993 0.9816 
1 1 1 11 14 10 o 1  1.35369e+02 2.03616e+01 9.60696e+01 271.889 7.90638e-02  -2.39771e+00 0.00000e+00 0.00000e+00 1.96060e+01 271.889 7.64635e+01 91.889  0.7536 
1 1 1 11 14 11 o 13 3.49997e+02 1.56687e+01 1.60576e+02 263.577 -1.35958e+00 -1.20772e+01 0.00000e+00 0.00000e+00 2.21641e+02 263.577 6.10645e+01 263.577 0.9579 
1 1 1 11 14 12 o 9  4.25369e+02 1.66616e+01 1.54319e+02 296.410 6.88742e+00  -1.38686e+01 0.00000e+00 0.00000e+00 3.17408e+02 296.410 1.63089e+02 296.410 0.9672 
1 1 1 11 14 13 o 14 3.93177e+02 1.41060e+01 2.11052e+02 12.265  2.05692e+01  4.47179e+00  0.00000e+00 0.00000e+00 2.31723e+02 12.265  2.06716e+01 12.265  0.9760 
1 1 1 11 14 14 o 14 6.17046e+02 1.68323e+01 2.65636e+02 76.520  1.07610e+01  4.48902e+01  0.00000e+00 0.00000e+00 4.43429e+02 76.520  1.77793e+02 76.520  0.9891 
1 1 1 11 14 15 o 11 1.05386e+02 2.40564e+01 6.66162e+01 3.488   2.42408e+00  1.47742e-01  0.00000e+00 0.00000e+00 2.67473e+01 3.488   3.98689e+01 183.488 0.7570 
1 1 1 11 14 16 o 2  2.22615e+02 1.81251e+01 5.38461e+01 216.562 -3.72770e+00 -2.76458e+00 0.00000e+00 0.00000e+00 1.78356e+02 216.562 1.24510e+02 216.562 0.8843 
1 1 1 11 14 17 o 11 1.82426e+02 1.97294e+01 8.07235e+01 217.207 -4.21022e+00 -3.19649e+00 0.00000e+00 0.00000e+00 1.14466e+02 217.207 3.37427e+01 217.207 0.8996 
1 1 1 11 14 18 o 1  1.31306e+02 2.31589e+01 1.00809e+02 249.996 -1.96310e+00 -5.39248e+00 0.00000e+00 0.00000e+00 4.22654e+01 249.996 5.85435e+01 69.996  0.9081 
1 1 1 11 14 19 o 17 2.11396e+02 1.92543e+01 7.77640e+01 225.734 -5.76728e+00 -5.91692e+00 0.00000e+00 0.00000e+00 1.62233e+02 225.734 8.44691e+01 225.734 0.9374 
1 1 1 11 14 20 o 1  2.32631e+02 1.88972e+01 3.04380e+01 18.226  3.13423e+00  1.03204e+00  0.00000e+00 0.00000e+00 2.05702e+02 18.226  1.75264e+02 18.226  0.8299 
1 1 1 11 14 21 o 16 6.33536e+01 2.66877e+01 4.60064e+01 46.668  1.15653e+00  1.22591e+00  0.00000e+00 0.00000e+00 4.00211e+00 46.668  4.20042e+01 226.668 0.6387 
1 1 1 11 14 22 o 2  9.97834e+01 2.80751e+01 1.05310e+01 34.775  5.35752e-01  3.72008e-01  0.00000e+00 0.00000e+00 2.81040e+01 34.775  1.75730e+01 34.775  0.3099 
1 1 1 11 14 23 o 2  7.27112e+01 2.82425e+01 5.91261e+00 337.230 2.86755e-01  -1.20367e-01 0.00000e+00 0.00000e+00 8.20361e+00 337.230 2.29100e+00 337.230 0.1536 
1 1 1 11 14 24 o 1  6.75424e+01 3.02944e+01 6.12538e+00 194.331 -3.12669e-01 -7.98797e-02 0.00000e+00 0.00000e+00 7.63119e+00 194.331 1.50580e+00 194.331 0.1593 
1 1 1 11 14 25 o 15 4.25903e+01 2.06766e+01 1.94645e+01 145.036 -7.64194e-01 5.34381e-01  0.00000e+00 0.00000e+00 3.79986e+00 145.036 1.56647e+01 325.036 0.4220 
1 1 1 11 14 26 o 19 8.18847e+01 3.00764e+01 3.18353e+01 337.130 2.14978e+00  -9.06792e-01 0.00000e+00 0.00000e+00 4.82189e+01 337.130 1.63836e+01 337.130 0.7456 
1 1 1 11 14 27 o 4  4.72372e+01 2.24157e+01 3.59425e+00 348.142 2.37778e-01  -4.99235e-02 0.00000e+00 0.00000e+00 3.97592e+00 348.142 3.81670e-01 348.142 0.1206 
1 1 1 11 14 28 o 6  6.93665e+01 2.86054e+01 2.15704e+01 224.328 -1.19487e+00 -1.16715e+00 0.00000e+00 0.00000e+00 3.78300e+01 224.328 1.62596e+01 224.328 0.6355 
1 1 1 11 14 29 o 1  4.55522e+01 2.21258e+01 1.22210e+01 304.957 5.75367e-01  -8.23028e-01 0.00000e+00 0.00000e+00 1.56680e+01 304.957 3.44704e+00 304.957 0.4479 
1 1 1 11 14 30 o 14 5.14344e+01 2.51274e+01 2.84441e+01 155.449 -2.10676e+00 9.62392e-01  0.00000e+00 0.00000e+00 2.46102e+01 155.449 3.83393e+00 335.448 0.7434 
1 1 1 11 15 0  o 13 4.38747e+02 2.65664e+01 2.23567e+02 270.000 -4.58123e-16 -7.48171e+00 0.00000e+00 0.00000e+00 2.69138e+02 270.000 4.55713e+01 270.000 1.0000 
1 1 1 11 15 1  o 13 1.59983e+02 1.88591e+01 1.01424e+02 220.242 -1.88710e+00 -1.59711e+00 0.00000e+00 0.00000e+00 3.54992e+01 220.242 6.59251e+01 40.242  0.7619 
1 1 1 11 15 2  o 15 2.66272e+02 1.69430e+01 8.20715e+01 122.961 -1.81679e+00 2.80175e+00  0.00000e+00 0.00000e+00 1.67037e+02 122.961 8.49653e+01 122.961 0.8322 
1 1 1 11 15 3  o 11 4.58357e+02 1.55673e+01 7.67916e+01 181.514 -5.37042e+00 -1.41923e-01 0.00000e+00 0.00000e+00 3.88216e+02 181.514 3.11424e+02 181.514 0.9014 
1 1 1 11 15 4  o 16 1.90688e+02 1.47756e+01 5.81050e+01 248.284 -6.59142e-01 -1.65500e+00 0.00000e+00 0.00000e+00 8.34568e+01 248.284 2.53519e+01 248.284 0.6584 
1 1 1 11 15 5  o 17 5.45602e+02 2.11835e+01 2.82371e+02 23.592  2.20452e+01  9.62751e+00  0.00000e+00 0.00000e+00 3.21252e+02 23.592  3.88812e+01 23.592  0.9790 
1 1 1 11 15 6  o 17 1.97134e+02 1.81712e+01 1.01631e+01 272.527 1.40444e-02  -3.18237e-01 0.00000e+00 0.00000e+00 2.49743e+01 272.527 1.48112e+01 272.527 0.1573 
1 1 1 11 15 8  o 6  4.75585e+02 1.62997e+01 2.37222e+02 117.221 -9.75712e+00 1.89684e+01  0.00000e+00 0.00000e+00 2.92663e+02 117.221 5.54416e+01 117.221 0.9763 
1 1 1 11 15 9  o 1  2.37010e+02 1.56246e+01 1.16903e+02 348.452 5.94376e+00  -1.21443e+00 0.00000e+00 0.00000e+00 1.31218e+02 348.452 1.43149e+01 348.452 0.9134 
1 1 1 11 15 10 o 12 5.59986e+02 1.79549e+01 2.09605e+02 263.233 -3.29210e+00 -2.77445e+01 0.00000e+00 0.00000e+00 4.23662e+02 263.233 2.14057e+02 263.233 0.9819 
1 1 1 11 15 11 o 19 3.79120e+02 1.59848e+01 8.99918e+01 200.480 -8.80094e+00 -3.28702e+00 0.00000e+00 0.00000e+00 3.24882e+02 200.480 2.34890e+02 200.480 0.9452 
1 1 1 11 15 12 o 6  3.97563e+02 1.65304e+01 1.56399e+02 32.555  1.31515e+01  8.39609e+00  0.00000e+00 0.00000e+00 2.91478e+02 32.555  1.35079e+02 32.555  0.9674 
1 1 1 11 15 13 o 13 1.32764e+02 1.91686e+01 4.83848e+01 3.716   1.78357e+00  1.15853e-01  0.00000e+00 0.00000e+00 5.42333e+01 3.716   5.84842e+00 3.716   0.6596 
1 1 1 11 15 14 o 11 1.38614e+02 1.91300e+01 5.71948e+01 255.253 -7.31673e-01 -2.77968e+00 0.00000e+00 0.00000e+00 7.36853e+01 255.253 1.64905e+01 255.253 0.8003 
1 1 1 11 15 15 o 13 9.43087e+01 2.49681e+01 1.01465e+02 285.375 9.23651e-01  -3.35908e+00 0.00000e+00 0.00000e+00 7.28129e+00 105.375 1.08746e+02 105.375 0.8403 
1 1 1 11 15 16 o 12 3.37906e+02 1.70442e+01 1.41412e+02 234.275 -1.02915e+01 -1.43089e+01 0.00000e+00 0.00000e+00 2.51701e+02 234.275 1.10290e+02 234.275 0.9712 
1 1 1 11 15 17 f 0  1.52592e+02 2.27123e+01 1.01608e+02 118.362 -3.15918e+00 5.85214e+00  0.00000e+00 0.00000e+00 6.82200e+01 118.362 3.33882e+01 298.362 0.9214 
1 1 1 11 15 18 o 2  1.44293e+02 2.18351e+01 9.46649e+01 11.871  6.55419e+00  1.37769e+00  0.00000e+00 0.00000e+00 6.74520e+01 11.871  2.72129e+01 191.871 0.9220 
1 1 1 11 15 19 o 4  7.72792e+01 2.72919e+01 5.56197e+01 149.390 -1.56342e+00 9.24953e-01  0.00000e+00 0.00000e+00 7.61294e+00 149.390 4.80067e+01 329.390 0.6652 
1 1 1 11 15 20 o 7  7.06537e+01 3.22148e+01 9.99921e+01 161.895 -3.25652e+00 1.06469e+00  0.00000e+00 0.00000e+00 2.65205e+01 341.895 1.26513e+02 341.895 0.8372 
1 1 1 11 15 21 o 2  7.93035e+01 3.15168e+01 3.35626e+01 270.654 1.65535e-02  -1.44947e+00 0.00000e+00 0.00000e+00 2.45062e+01 270.654 9.05643e+00 90.654  0.5834 
1 1 1 11 15 22 o 17 9.39776e+01 3.29094e+01 8.03504e+01 326.200 3.80123e+00  -2.54472e+00 0.00000e+00 0.00000e+00 2.48720e+01 326.200 5.54784e+01 146.200 0.8825 
1 1 1 11 15 23 o 12 8.59695e+01 3.04072e+01 4.42763e+01 314.783 2.09524e+00  -2.11116e+00 0.00000e+00 0.00000e+00 4.48703e+01 314.783 5.94081e-01 314.783 0.8081 
1 1 1 11 15 24 o 9  8.35233e+01 3.10769e+01 2.80740e+01 171.373 -1.81465e+00 2.75327e-01  0.00000e+00 0.00000e+00 4.44640e+01 171.373 1.63899e+01 171.373 0.6688 
1 1 1 11 15 25 o 8  6.47002e+01 2.74018e+01 2.53408e+01 94.731  -1.29103e-01 1.55990e+00  0.00000e+00 0.00000e+00 2.67036e+01 94.731  1.36281e+00 94.731  0.6119 
1 1 1 11 15 26 o 12 6.12068e+01 2.66582e+01 2.44668e+01 114.110 -6.68741e-01 1.49431e+00  0.00000e+00 0.00000e+00 2.67413e+01 114.110 2.27450e+00 114.110 0.6282 
1 1 1 11 15 27 o 5  4.99225e+01 2.33990e+01 2.77065e+01 211.820 -1.55289e+00 -9.63602e-01 0.00000e+00 0.00000e+00 1.72556e+01 211.820 1.04509e+01 31.820  0.6673 
1 1 1 11 15 28 o 18 5.05184e+01 2.38840e+01 3.81090e+01 349.273 2.77584e+00  -5.25875e-01 0.00000e+00 0.00000e+00 1.69337e+01 349.273 2.11753e+01 169.273 0.7962 
1 1 1 11 15 29 o 13 4.93295e+01 2.34765e+01 3.35571e+01 84.415  2.72415e-01  2.78586e+00  0.00000e+00 0.00000e+00 2.08165e+01 84.415  1.27406e+01 264.415 0.7940 
1 1 1 11 15 30 o 14 5.29167e+01 2.48401e+01 2.57137e+01 160.342 -2.14335e+00 7.65675e-01  0.00000e+00 0.00000e+00 2.93353e+01 160.342 3.62162e+00 160.342 0.7383 
1 1 1 11 16 0  o 19 7.19158e+01 3.60858e+01 1.38882e+02 270.000 -4.75809e-17 -7.77054e-01 0.00000e+00 0.00000e+00 8.54295e+01 90.000  2.24311e+02 90.000  0.6510 
1 1 1 11 16 1  o 4  5.90403e+02 2.17674e+01 2.53315e+02 240.025 -1.18020e+01 -2.04622e+01 0.00000e+00 0.00000e+00 4.06489e+02 240.025 1.53175e+02 240.025 0.9786 
1 1 1 11 16 2  o 15 5.60086e+02 2.10944e+01 1.91073e+02 120.594 -8.60131e+00 1.45474e+01  0.00000e+00 0.00000e+00 4.29786e+02 120.594 2.38713e+02 120.594 0.9699 
1 1 1 11 16 3  o 7  4.79049e+02 1.60343e+01 2.19364e+02 18.442  1.59402e+01  5.31552e+00  0.00000e+00 0.00000e+00 3.12238e+02 18.442  9.28736e+01 18.442  0.9698 
1 1 1 11 16 4  f 0  3.34475e+02 1.46228e+01 1.21651e+02 338.305 6.03036e+00  -2.39912e+00 0.00000e+00 0.00000e+00 2.30844e+02 338.305 1.09193e+02 338.305 0.9194 
1 1 1 11 16 5  o 13 3.06215e+02 1.47546e+01 1.62844e+02 138.953 -7.21991e+00 6.28659e+00  0.00000e+00 0.00000e+00 1.70057e+02 138.953 7.21283e+00 138.953 0.9462 
1 1 1 11 16 6  o 3  1.19740e+02 1.89314e+01 8.47360e+01 323.430 1.52574e+00  -1.13186e+00 0.00000e+00 0.00000e+00 9.15524e+00 323.430 7.55807e+01 143.430 0.6806 
1 1 1 11 16 7  f 0  1.62509e+02 1.78615e+01 1.21331e+02 159.041 -4.00903e+00 1.53566e+00  0.00000e+00 0.00000e+00 4.28283e+01 159.041 7.85030e+01 339.041 0.8739 
1 1 1 11 16 8  o 13 2.66401e+02 1.54737e+01 1.10024e+02 270.759 9.41483e-02  -7.10786e+00 0.00000e+00 0.00000e+00 1.76425e+02 270.759 6.64006e+01 270.759 0.9267 
1 1 1 11 16 9  o 6  3.65993e+02 1.57363e+01 1.16608e+02 290.558 4.17497e+00  -1.11319e+01 0.00000e+00 0.00000e+00 2.91520e+02 290.558 1.74912e+02 290.558 0.9570 
1 1 1 11 16 10 o 18 1.08709e+02 2.37421e+01 4.46477e+01 71.331  3.78722e-01  1.12086e+00  0.00000e+00 0.00000e+00 1.99506e+01 71.331  2.46971e+01 251.331 0.5075 
1 1 1 11 16 11 o 17 3.43417e+02 1.62725e+01 1.30759e+02 12.607  1.25995e+01  2.81803e+00  0.00000e+00 0.00000e+00 2.57484e+02 12.607  1.26725e+02 12.607  0.9605 
1 1 1 11 16 12 o 15 1.41303e+02 2.36894e+01 6.44767e+01 135.449 -1.82214e+00 1.79379e+00  0.00000e+00 0.00000e+00 6.45134e+01 135.449 3.66897e-02 135.449 0.7711 
1 1 1 11 16 13 o 7  1.08197e+02 3.43382e+01 4.64887e+01 161.649 -1.47287e+00 4.88551e-01  0.00000e+00 0.00000e+00 3.19737e+01 161.649 1.45151e+01 341.649 0.6087 
1 1 1 11 16 14 o 2  1.81250e+02 2.20511e+01 9.82328e+01 207.771 -5.83338e+00 -3.07187e+00 0.00000e+00 0.00000e+00 1.01940e+02 207.771 3.70723e+00 207.771 0.9207 
1 1 1 11 16 15 o 12 2.57798e+02 1.55080e+01 7.68273e+01 160.769 -7.00121e+00 2.44234e+00  0.00000e+00 0.00000e+00 2.12845e+02 160.769 1.36018e+02 160.769 0.9299 
1 1 1 11 16 16 o 8  1.71103e+02 2.07750e+01 5.91740e+01 9.876   4.49256e+00  7.82126e-01  0.00000e+00 0.00000e+00 1.24628e+02 9.876   6.54545e+01 9.876   0.8821 
1 1 1 11 16 17 o 10 4.55863e+02 1.82142e+01 1.51564e+02 251.090 -1.15400e+01 -3.36867e+01 0.00000e+00 0.00000e+00 4.00324e+02 251.090 2.48761e+02 251.090 0.9859 
1 1 1 11 16 18 o 11 1.26601e+02 3.32355e+01 5.57233e+01 40.286  2.08853e+00  1.77032e+00  0.00000e+00 0.00000e+00 6.79611e+01 40.286  1.22378e+01 40.286  0.7886 
1 1 1 11 16 19 o 12 1.76731e+02 3.43251e+01 1.14679e+02 41.855  7.05038e+00  6.31601e+00  0.00000e+00 0.00000e+00 9.43028e+01 41.855  2.03764e+01 221.855 0.9456 
1 1 1 11 16 20 o 5  5.80722e+01 2.54398e+01 4.43741e+01 81.420  2.38882e-01  1.58336e+00  0.00000e+00 0.00000e+00 1.10929e+00 81.420  4.32648e+01 261.420 0.6202 
1 1 1 11 16 21 o 16 1.09954e+02 2.69320e+01 6.01767e+01 190.227 -4.59840e+00 -8.29619e-01 0.00000e+00 0.00000e+00 6.40166e+01 190.227 3.83993e+00 190.227 0.8852 
1 1 1 11 16 22 o 2  6.51678e+01 2.68431e+01 6.25199e+01 250.842 -1.04812e+00 -3.01689e+00 0.00000e+00 0.00000e+00 6.69121e+00 250.842 5.58287e+01 70.842  0.8233 
1 1 1 11 16 23 o 13 8.35029e+01 3.02458e+01 4.45764e+01 25.877  2.70201e+00  1.31066e+00  0.00000e+00 0.00000e+00 4.36887e+01 25.877  8.87621e-01 205.877 0.8102 
1 1 1 11 16 24 o 10 6.88719e+01 2.79817e+01 2.88906e+01 240.395 -9.04511e-01 -1.59190e+00 0.00000e+00 0.00000e+00 3.18427e+01 240.395 2.95212e+00 240.395 0.6680 
1 1 1 11 16 25 f 0  6.47541e+01 2.73493e+01 2.60316e+01 195.941 -1.73200e+00 -4.94728e-01 0.00000e+00 0.00000e+00 3.12894e+01 195.941 5.25777e+00 195.941 0.6623 
1 1 1 11 16 26 o 7  8.52171e+01 3.06531e+01 1.50090e+01 37.144  1.00617e+00  7.62190e-01  0.00000e+00 0.00000e+00 4.63298e+01 37.144  3.13208e+01 37.144  0.5316 
1 1 1 11 16 27 o 10 5.75382e+01 2.56446e+01 1.52986e+01 65.173  5.07941e-01  1.09795e+00  0.00000e+00 0.00000e+00 2.54227e+01 65.173  1.01241e+01 65.173  0.5158 
1 1 1 11 16 28 o 10 5.78602e+01 2.63720e+01 1.86208e+01 300.299 7.70635e-01  -1.31886e+00 0.00000e+00 0.00000e+00 2.99091e+01 300.299 1.12883e+01 300.299 0.6029 
1 1 1 11 16 29 o 9  4.30495e+01 2.10963e+01 1.25189e+01 355.993 1.12895e+00  -7.90771e-02 0.00000e+00 0.00000e+00 1.73219e+01 355.993 4.80298e+00 355.993 0.4911 
1 1 1 11 17 0  o 7  2.49768e+02 2.59056e+01 1.05590e+02 270.000 -1.52416e-16 -2.48914e+00 0.00000e+00 0.00000e+00 1.80662e+02 270.000 7.50716e+01 270.000 0.9863 
1 1 1 11 17 1  o 14 5.48158e+02 2.09636e+01 2.73493e+02 78.994  6.23507e+00  3.20583e+01  0.00000e+00 0.00000e+00 3.53776e+02 78.994  8.02831e+01 78.994  0.9846 
1 1 1 11 17 2  o 3  1.18100e+02 1.96937e+01 6.41098e+01 40.167  1.26545e+00  1.06815e+00  0.00000e+00 0.00000e+00 2.27603e+01 40.167  4.13496e+01 220.167 0.6324 
1 1 1 11 17 3  o 11 1.81790e+02 1.54896e+01 1.11354e+02 281.351 8.84327e-01  -4.40517e+00 0.00000e+00 0.00000e+00 7.49803e+01 281.351 3.63741e+01 101.351 0.8801 
1 1 1 11 17 4  o 17 1.94645e+02 1.56092e+01 9.13806e+01 331.942 3.46153e+00  -1.84500e+00 0.00000e+00 0.00000e+00 1.04021e+02 331.942 1.26403e+01 331.942 0.8605 
1 1 1 11 17 6  o 7  5.45841e+02 2.11580e+01 2.37231e+02 191.391 -2.98781e+01 -6.01980e+00 0.00000e+00 0.00000e+00 3.92212e+02 191.391 1.54980e+02 191.391 0.9835 
1 1 1 11 17 7  o 3  1.10545e+02 2.34029e+01 6.64531e+01 75.867  4.77446e-01  1.89611e+00  0.00000e+00 0.00000e+00 2.33171e+01 75.867  4.31360e+01 255.867 0.6903 
1 1 1 11 17 8  o 1  6.00703e+02 1.87171e+01 2.32095e+02 25.786  3.17402e+01  1.53341e+01  0.00000e+00 0.00000e+00 4.67122e+02 25.786  2.35027e+02 25.786  0.9857 
1 1 1 11 17 9  o 18 3.43305e+02 1.57963e+01 1.80089e+02 239.756 -9.05587e+00 -1.55323e+01 0.00000e+00 0.00000e+00 2.15562e+02 239.756 3.54727e+01 239.756 0.9718 
1 1 1 11 17 10 o 9  3.71563e+02 2.11427e+01 1.83147e+02 146.129 -1.63428e+01 1.09700e+01  0.00000e+00 0.00000e+00 2.48224e+02 146.129 6.50768e+01 146.129 0.9743 
1 1 1 11 17 11 o 14 5.58583e+02 1.84286e+01 1.86861e+02 45.073  2.72580e+01  2.73273e+01  0.00000e+00 0.00000e+00 4.73576e+02 45.073  2.86715e+02 45.073  0.9870 
1 1 1 11 17 12 o 1  3.08603e+02 1.70578e+01 1.70492e+02 273.979 1.45843e+00  -2.09676e+01 0.00000e+00 0.00000e+00 1.92398e+02 273.979 2.19059e+01 273.979 0.9759 
1 1 1 11 17 13 o 14 8.54799e+01 2.97437e+01 5.34985e+01 183.926 -1.54976e+00 -1.06346e-01 0.00000e+00 0.00000e+00 9.62994e+00 183.926 4.38685e+01 3.926   0.6091 
1 1 1 11 17 14 o 11 1.05549e+02 2.35770e+01 2.72218e+01 357.844 1.24611e+00  -4.69112e-02 0.00000e+00 0.00000e+00 4.06992e+01 357.844 1.34774e+01 357.844 0.5271 
1 1 1 11 17 15 f 0  1.62377e+02 2.70138e+01 7.69458e+01 216.972 -4.16099e+00 -3.13235e+00 0.00000e+00 0.00000e+00 1.02377e+02 216.972 2.54309e+01 216.972 0.8980 
1 1 1 11 17 16 o 10 1.28270e+02 2.56527e+01 7.01368e+01 74.522  1.17193e+00  4.23217e+00  0.00000e+00 0.00000e+00 6.93003e+01 74.522  8.36504e-01 254.522 0.8771 
1 1 1 11 17 17 o 12 1.91417e+02 2.04068e+01 7.76745e+01 21.959  6.44157e+00  2.59722e+00  0.00000e+00 0.00000e+00 1.43597e+02 21.959  6.59230e+01 21.959  0.9249 
1 1 1 11 17 18 o 1  1.86032e+02 2.02332e+01 9.32451e+01 201.874 -9.74391e+00 -3.91193e+00 0.00000e+00 0.00000e+00 1.29854e+02 201.874 3.66092e+01 201.874 0.9511 
1 1 1 11 17 19 o 14 1.60407e+02 2.74175e+01 6.42901e+01 290.999 2.21442e+00  -5.76911e+00 0.00000e+00 0.00000e+00 1.22520e+02 290.999 5.82302e+01 290.999 0.9151 
1 1 1 11 17 20 o 12 6.34765e+01 2.65701e+01 3.46031e+01 270.701 1.92195e-02  -1.57097e+00 0.00000e+00 0.00000e+00 1.54268e+01 270.701 1.91763e+01 90.701  0.6132 
1 1 1 11 17 21 o 3  6.29261e+01 2.58345e+01 2.44072e+01 42.722  9.12778e-01  8.42928e-01  0.00000e+00 0.00000e+00 1.85551e+01 42.722  5.85215e+00 222.722 0.5257 
1 1 1 11 17 22 o 15 5.53223e+01 2.46467e+01 5.00325e+01 350.054 2.70614e+00  -4.74516e-01 0.00000e+00 0.00000e+00 7.30155e+00 350.054 4.27310e+01 170.054 0.7894 
1 1 1 11 17 23 o 13 1.37903e+02 2.77475e+01 8.71566e+01 146.814 -9.36059e+00 6.12208e+00  0.00000e+00 0.00000e+00 8.75620e+01 146.814 4.05344e-01 146.814 0.9542 
1 1 1 11 17 24 o 1  8.91652e+01 2.99927e+01 4.26330e+01 102.757 -7.50707e-01 3.31585e+00  0.00000e+00 0.00000e+00 5.74862e+01 102.757 1.48531e+01 102.757 0.8357 
1 1 1 11 17 25 o 4  6.46216e+01 2.70633e+01 2.43935e+01 247.889 -6.93696e-01 -1.70744e+00 0.00000e+00 0.00000e+00 3.45236e+01 247.889 1.01301e+01 247.889 0.6702 
1 1 1 11 17 26 o 14 8.62033e+01 3.02688e+01 3.31068e+01 316.367 2.13397e+00  -2.03453e+00 0.00000e+00 0.00000e+00 6.26432e+01 316.367 2.95364e+01 316.367 0.8061 
1 1 1 11 17 27 o 12 6.43586e+01 2.73354e+01 1.64787e+01 54.847  8.29317e-01  1.17766e+00  0.00000e+00 0.00000e+00 3.57425e+01 54.847  1.92638e+01 54.847  0.5810 
1 1 1 11 17 28 o 4  5.62502e+01 2.54632e+01 2.00463e+01 133.016 -1.18726e+00 1.27248e+00  0.00000e+00 0.00000e+00 3.17400e+01 133.016 1.16937e+01 133.016 0.6502 
1 1 1 11 18 0  o 9  7.03947e+01 3.77180e+01 7.91404e+00 270.000 -4.48547e-18 -7.32532e-02 0.00000e+00 0.00000e+00 1.82024e+00 90.000  9.73428e+00 90.000  0.0731 
1 1 1 11 18 1  o 18 2.47891e+02 1.50392e+01 1.05664e+02 46.152  5.15744e+00  5.36910e+00  0.00000e+00 0.00000e+00 1.67384e+02 46.152  6.17204e+01 46.152  0.9302 
1 1 1 11 18 2  o 3  4.75050e+01 2.05829e+01 4.31760e+01 273.229 3.17090e-02  -5.62006e-01 0.00000e+00 0.00000e+00 2.79278e+01 93.229  7.11038e+01 93.229  0.2709 
1 1 1 11 18 3  o 16 3.86866e+02 1.52167e+01 1.68967e+02 180.296 -1.84441e+01 -9.52106e-02 0.00000e+00 0.00000e+00 2.77443e+02 180.296 1.08476e+02 180.296 0.9725 
1 1 1 11 18 4  o 17 1.84340e+02 1.66304e+01 8.62903e+01 105.351 -1.17288e+00 4.27224e+00  0.00000e+00 0.00000e+00 1.06145e+02 105.351 1.98551e+01 105.351 0.8782 
1 1 1 11 18 5  o 17 1.05436e+02 2.42444e+01 6.95909e+01 304.408 1.01857e+00  -1.48714e+00 0.00000e+00 0.00000e+00 1.36291e+01 304.408 5.59618e+01 124.408 0.6625 
1 1 1 11 18 6  o 4  2.04280e+02 1.87007e+01 6.76825e+01 160.309 -3.28587e+00 1.17593e+00  0.00000e+00 0.00000e+00 1.37454e+02 160.309 6.97718e+01 160.309 0.8406 
1 1 1 11 18 7  o 17 7.62413e+01 2.60194e+01 1.69978e+01 80.124  6.02485e-02  3.46047e-01  0.00000e+00 0.00000e+00 1.19157e+00 260.123 1.81894e+01 260.123 0.1730 
1 1 1 11 18 8  o 11 1.97094e+02 1.74798e+01 9.10895e+01 222.835 -3.92066e+00 -3.63497e+00 0.00000e+00 0.00000e+00 1.22524e+02 222.835 3.14346e+01 222.835 0.9008 
1 1 1 11 18 9  o 7  4.65634e+02 1.70517e+01 2.24699e+02 61.394  1.88612e+01  3.45856e+01  0.00000e+00 0.00000e+00 3.30729e+02 61.394  1.06030e+02 61.394  0.9872 
1 1 1 11 18 10 o 6  3.73786e+02 1.66837e+01 1.08596e+02 358.683 1.64206e+01  -3.77583e-01 0.00000e+00 0.00000e+00 3.31172e+02 358.683 2.22576e+02 358.683 0.9691 
1 1 1 11 18 11 o 6  2.83099e+02 1.68254e+01 1.39337e+02 210.720 -1.33104e+01 -7.90944e+00 0.00000e+00 0.00000e+00 1.94842e+02 210.720 5.55059e+01 210.720 0.9671 
1 1 1 11 18 12 o 15 2.29344e+02 1.84601e+01 4.75356e+01 230.529 -2.57693e+00 -3.12935e+00 0.00000e+00 0.00000e+00 1.96163e+02 230.529 1.48627e+02 230.529 0.8656 
1 1 1 11 18 13 o 5  9.51555e+01 2.98956e+01 3.81032e+01 235.433 -8.17389e-01 -1.18635e+00 0.00000e+00 0.00000e+00 3.02102e+01 235.433 7.89301e+00 55.433  0.5811 
1 1 1 11 18 14 o 1  1.38867e+02 3.81487e+01 9.15526e+01 119.002 -2.37210e+00 4.27901e+00  0.00000e+00 0.00000e+00 6.23179e+01 119.002 2.92347e+01 299.002 0.8908 
1 1 1 11 18 15 o 2  1.23862e+02 2.25105e+01 8.96969e+01 276.128 6.07189e-01  -5.65585e+00 0.00000e+00 0.00000e+00 5.11002e+01 276.128 3.85967e+01 96.128  0.9072 
1 1 1 11 18 16 o 11 1.79251e+02 3.20525e+01 1.16111e+02 257.845 -1.82401e+00 -8.46863e+00 0.00000e+00 0.00000e+00 9.67504e+01 257.845 1.93609e+01 77.845  0.9404 
1 1 1 11 18 17 o 1  1.98410e+02 2.86211e+01 9.91524e+01 83.811  1.11184e+00  1.02530e+01  0.00000e+00 0.00000e+00 1.40913e+02 83.811  4.17610e+01 83.811  0.9502 
1 1 1 11 18 18 o 9  1.35078e+02 3.51209e+01 7.09087e+01 18.086  4.61101e+00  1.50591e+00  0.00000e+00 0.00000e+00 8.34959e+01 18.086  1.25872e+01 18.086  0.8898 
1 1 1 11 18 19 f 0  9.13397e+01 3.53333e+01 8.23621e+01 189.425 -4.24958e+00 -7.05417e-01 0.00000e+00 0.00000e+00 2.11996e+01 189.425 6.11625e+01 9.425   0.8744 
1 1 1 11 18 20 o 17 9.28207e+01 2.76585e+01 5.74471e+01 208.868 -3.60141e+00 -1.98542e+00 0.00000e+00 0.00000e+00 4.80216e+01 208.868 9.42548e+00 28.868  0.8677 
1 1 1 11 18 21 o 1  1.23085e+02 3.20305e+01 6.99878e+01 349.846 6.61621e+00  -1.18497e+00 0.00000e+00 0.00000e+00 8.02106e+01 349.846 1.02228e+01 349.846 0.9223 
1 1 1 11 18 22 o 9  7.88796e+01 2.85558e+01 3.70898e+01 34.068  2.12518e+00  1.43713e+00  0.00000e+00 0.00000e+00 4.43526e+01 34.068  7.26283e+00 34.068  0.7719 
1 1 1 11 18 23 o 13 4.59972e+01 2.17193e+01 2.42888e+01 168.917 -1.32522e+00 2.59597e-01  0.00000e+00 0.00000e+00 1.03653e+01 168.917 1.39234e+01 348.917 0.5569 
1 1 1 11 18 24 o 11 6.94839e+01 2.77350e+01 2.32800e+01 111.203 -6.65106e-01 1.71444e+00  0.00000e+00 0.00000e+00 4.03986e+01 111.203 1.71186e+01 111.203 0.6695 
1 1 1 11 18 25 o 8  1.02266e+02 2.97369e+01 1.34108e+01 336.818 1.33332e+00  -5.70974e-01 0.00000e+00 0.00000e+00 6.93115e+01 336.818 5.59007e+01 336.818 0.5836 
1 1 1 11 18 26 o 6  1.05174e+02 3.10234e+01 4.06648e+01 14.098  4.31959e+00  1.08485e+00  0.00000e+00 0.00000e+00 8.91147e+01 14.098  4.84499e+01 14.098  0.8790 
1 1 1 11 18 27 f 0  5.04029e+01 2.35659e+01 1.73791e+01 246.393 -5.85587e-01 -1.33993e+00 0.00000e+00 0.00000e+00 2.46924e+01 246.393 7.31330e+00 246.393 0.5867 
1 1 1 11 18 28 o 10 5.81088e+01 2.61059e+01 1.22087e+01 234.730 -6.29493e-01 -8.90043e-01 0.00000e+00 0.00000e+00 2.78139e+01 234.730 1.56052e+01 234.730 0.4774 
1 1 1 11 19 1  o 18 9.51861e+01 2.46431e+01 5.20728e+01 248.830 -4.96161e-01 -1.28114e+00 0.00000e+00 0.00000e+00 1.26923e+01 248.830 3.93804e+01 68.830  0.5634 
1 1 1 11 19 2  o 11 2.05298e+02 1.62261e+01 6.74919e+01 234.323 -2.37142e+00 -3.30304e+00 0.00000e+00 0.00000e+00 1.47398e+02 234.323 7.99056e+01 234.323 0.8660 
1 1 1 11 19 3  o 14 8.92350e+01 2.44597e+01 3.72942e+01 185.575 -9.14239e-01 -8.92409e-02 0.00000e+00 0.00000e+00 7.71602e+00 185.575 2.95782e+01 5.575   0.4168 
1 1 1 11 19 4  o 17 4.12257e+02 1.60144e+01 1.61761e+02 169.412 -1.99325e+01 3.72602e+00  0.00000e+00 0.00000e+00 3.25542e+02 169.412 1.63781e+02 169.412 0.9750 
1 1 1 11 19 5  o 18 9.88187e+01 2.52727e+01 3.15678e+01 228.896 -5.78961e-01 -6.63579e-01 0.00000e+00 0.00000e+00 1.67617e+01 228.896 1.48061e+01 48.896  0.4025 
1 1 1 11 19 6  o 1  5.43137e+02 1.79772e+01 2.15820e+02 11.024  4.34054e+01  8.45594e+00  0.00000e+00 0.00000e+00 4.38437e+02 11.024  2.22617e+02 11.024  0.9886 
1 1 1 11 19 7  o 15 2.46878e+02 2.22425e+01 1.13389e+02 83.346  1.16721e+00  1.00046e+01  0.00000e+00 0.00000e+00 1.73009e+02 83.346  5.96197e+01 83.346  0.9490 
1 1 1 11 19 8  o 14 2.31057e+02 1.71629e+01 7.07962e+01 231.730 -4.09684e+00 -5.19303e+00 0.00000e+00 0.00000e+00 1.90319e+02 231.730 1.19523e+02 231.730 0.9210 
1 1 1 11 19 9  o 14 8.08954e+01 2.63268e+01 2.96517e+01 176.462 -8.59670e-01 5.31573e-02  0.00000e+00 0.00000e+00 9.73642e+00 176.462 1.99153e+01 356.462 0.3951 
1 1 1 11 19 10 o 14 1.81296e+02 1.87150e+01 1.12785e+02 324.162 6.20226e+00  -4.47938e+00 0.00000e+00 0.00000e+00 9.64763e+01 324.162 1.63090e+01 144.163 0.9321 
1 1 1 11 19 11 f 0  2.70408e+02 1.69124e+01 1.19126e+02 271.287 3.41464e-01  -1.52011e+01 0.00000e+00 0.00000e+00 2.06227e+02 271.287 8.71010e+01 271.287 0.9665 
1 1 1 11 19 12 o 11 3.37686e+02 2.36866e+01 1.79115e+02 117.555 -1.23263e+01 2.36231e+01  0.00000e+00 0.00000e+00 2.35686e+02 117.555 5.65712e+01 117.555 0.9811 
1 1 1 11 19 13 o 19 1.30638e+02 2.62680e+01 7.76840e+01 70.746  1.57216e+00  4.50102e+00  0.00000e+00 0.00000e+00 6.84361e+01 70.746  9.24791e+00 250.746 0.8877 
1 1 1 11 19 14 o 17 2.20003e+02 2.44675e+01 1.06595e+02 225.106 -7.46461e+00 -7.49224e+00 0.00000e+00 0.00000e+00 1.58963e+02 225.106 5.23679e+01 225.106 0.9515 
1 1 1 11 19 15 o 4  5.50830e+01 2.48867e+01 3.38714e+01 140.541 -6.71601e-01 5.52819e-01  0.00000e+00 0.00000e+00 5.82828e+00 320.541 3.96997e+01 320.541 0.3984 
1 1 1 11 19 16 o 12 9.17278e+01 3.11876e+01 3.67191e+01 35.960  1.45922e+00  1.05864e+00  0.00000e+00 0.00000e+00 4.15589e+01 35.960  4.83984e+00 35.960  0.6626 
1 1 1 11 19 17 o 14 1.32036e+02 3.53852e+01 1.01422e+02 215.403 -5.78952e+00 -4.11482e+00 0.00000e+00 0.00000e+00 5.74807e+01 215.403 4.39411e+01 35.403  0.9267 
1 1 1 11 19 18 f 0  5.57264e+01 2.44393e+01 2.45745e+01 340.811 9.78128e-01  -3.40410e-01 0.00000e+00 0.00000e+00 8.93088e+00 340.811 1.56436e+01 160.811 0.4589 
1 1 1 11 19 19 o 10 6.98048e+01 2.74849e+01 7.78902e+00 337.725 3.90208e-01  -1.59841e-01 0.00000e+00 0.00000e+00 1.12549e+01 337.725 3.46590e+00 337.725 0.2063 
1 1 1 11 19 20 o 18 8.12294e+01 2.70001e+01 3.24389e+01 33.194  2.03275e+00  1.32991e+00  0.00000e+00 0.00000e+00 4.96939e+01 33.194  1.72549e+01 33.194  0.7571 
1 1 1 11 19 21 o 1  7.24325e+01 2.76640e+01 3.36844e+01 66.913  8.65047e-01  2.02931e+00  0.00000e+00 0.00000e+00 3.75581e+01 66.913  3.87370e+00 66.913  0.7289 
1 1 1 11 19 22 o 9  1.09699e+02 2.82670e+01 5.56573e+01 186.784 -5.78360e+00 -6.88019e-01 0.00000e+00 0.00000e+00 8.04544e+01 186.784 2.47971e+01 186.784 0.9095 
1 1 1 11 19 23 o 10 5.64517e+01 2.47973e+01 1.70734e+01 283.042 2.81131e-01  -1.21365e+00 0.00000e+00 0.00000e+00 2.39535e+01 283.042 6.88010e+00 283.042 0.5267 
1 1 1 11 19 24 o 18 5.42644e+01 2.44961e+01 3.66622e+01 327.909 2.12241e+00  -1.33093e+00 0.00000e+00 0.00000e+00 2.13396e+01 327.909 1.53226e+01 147.909 0.7656 
1 1 1 11 19 25 o 18 4.72867e+01 2.24866e+01 2.97327e+01 343.013 2.10472e+00  -6.42943e-01 0.00000e+00 0.00000e+00 1.89373e+01 343.013 1.07954e+01 163.013 0.7281 
1 1 1 11 19 26 o 17 5.30695e+01 2.44171e+01 2.08033e+01 98.856  -2.64105e-01 1.69508e+00  0.00000e+00 0.00000e+00 2.82146e+01 98.856  7.41131e+00 98.856  0.6451 
1 1 1 11 19 27 o 19 4.19365e+01 2.04925e+01 2.22766e+01 174.724 -2.00875e+00 1.85493e-01  0.00000e+00 0.00000e+00 2.03579e+01 174.724 1.91874e+00 354.724 0.7006 
1 1 1 11 20 0  o 14 1.38576e+02 2.86658e+01 6.45238e+01 90.000  1.01403e-16  1.65604e+00  0.00000e+00 0.00000e+00 9.43002e+01 90.000  2.97764e+01 90.000  0.9297 
1 1 1 11 20 1  o 14 1.08699e+02 2.46115e+01 6.10730e+01 143.405 -1.88897e+00 1.40260e+00  0.00000e+00 0.00000e+00 3.91855e+01 143.405 2.18875e+01 323.405 0.7480 
1 1 1 11 20 2  o 13 1.87007e+02 2.22268e+01 7.59497e+01 134.188 -3.58926e+00 3.69243e+00  0.00000e+00 0.00000e+00 1.30995e+02 134.188 5.50457e+01 134.188 0.8967 
1 1 1 11 20 3  o 15 3.32172e+01 1.63339e+01 6.16765e+01 9.929   7.68234e-01  1.34479e-01  0.00000e+00 0.00000e+00 4.67765e+01 189.929 1.08453e+02 189.929 0.3630 
1 1 1 11 20 4  o 2  6.24812e+01 2.80000e+01 2.22899e+01 243.758 -2.23838e-01 -4.54056e-01 0.00000e+00 0.00000e+00 3.31577e+00 63.758  2.56057e+01 63.758  0.2453 
1 1 1 11 20 5  o 11 1.42742e+02 2.19345e+01 9.88195e+01 74.267  1.48339e+00  5.26570e+00  0.00000e+00 0.00000e+00 6.11360e+01 74.267  3.76835e+01 254.267 0.9033 
1 1 1 11 20 6  o 14 4.38603e+01 2.02194e+01 3.50936e+01 328.143 5.04809e-01  -3.13684e-01 0.00000e+00 0.00000e+00 1.95551e+01 148.144 5.46487e+01 148.144 0.2848 
1 1 1 11 20 7  o 4  1.42484e+02 1.71688e+01 1.22702e+02 242.741 -3.07163e+00 -5.96152e+00 0.00000e+00 0.00000e+00 4.12828e+01 242.741 8.14195e+01 62.741  0.9221 
1 1 1 11 20 8  o 4  1.76160e+02 1.59656e+01 4.83387e+01 94.315  -2.45809e-01 3.25781e+00  0.00000e+00 0.00000e+00 1.34392e+02 94.315  8.60529e+01 94.315  0.8279 
1 1 1 11 20 9  o 3  6.41122e+01 2.47228e+01 3.92349e+01 321.610 8.52497e-01  -6.75447e-01 0.00000e+00 0.00000e+00 7.89222e-01 141.610 4.00241e+01 141.610 0.4766 
1 1 1 11 20 10 o 6  3.59254e+02 1.66494e+01 1.15779e+02 250.116 -6.81123e+00 -1.88327e+01 0.00000e+00 0.00000e+00 3.26932e+02 250.116 2.11152e+02 250.116 0.9747 
1 1 1 11 20 11 o 18 2.01449e+02 1.82616e+01 8.94498e+01 69.997  3.26672e+00  8.97392e+00  0.00000e+00 0.00000e+00 1.52791e+02 69.997  6.33416e+01 69.997  0.9461 
1 1 1 11 20 12 o 18 6.76522e+01 2.64083e+01 1.43219e+01 118.927 -2.27778e-01 4.12151e-01  0.00000e+00 0.00000e+00 5.49718e+00 118.927 8.82468e+00 298.927 0.2292 
1 1 1 11 20 13 o 10 2.00518e+02 1.97916e+01 6.99604e+01 168.187 -6.95487e+00 1.45460e+00  0.00000e+00 0.00000e+00 1.69091e+02 168.187 9.91303e+01 168.187 0.9267 
1 1 1 11 20 14 o 1  7.49176e+01 2.82775e+01 2.98550e+01 34.676  9.81160e-01  6.78780e-01  0.00000e+00 0.00000e+00 1.96958e+01 34.676  1.01592e+01 214.676 0.5106 
1 1 1 11 20 15 o 7  7.33657e+01 2.86800e+01 5.26822e+01 257.081 -5.11079e-01 -2.22806e+00 0.00000e+00 0.00000e+00 1.81130e+01 257.081 3.45692e+01 77.081  0.7396 
1 1 1 11 20 16 o 5  1.51024e+02 2.04831e+01 6.15571e+01 132.640 -4.68510e+00 5.08794e+00  0.00000e+00 0.00000e+00 1.22065e+02 132.640 6.05083e+01 132.640 0.9246 
1 1 1 11 20 17 o 12 7.72291e+01 2.80150e+01 2.52513e+01 21.831  1.33648e+00  5.35395e-01  0.00000e+00 0.00000e+00 3.42342e+01 21.831  8.98287e+00 21.831  0.5809 
1 1 1 11 20 18 o 17 1.36731e+02 3.02617e+01 1.49270e+01 129.471 -1.02197e+00 1.24103e+00  0.00000e+00 0.00000e+00 9.87796e+01 129.471 8.38526e+01 129.471 0.6216 
1 1 1 11 20 19 o 18 8.03248e+01 3.11717e+01 1.34284e+01 261.759 -1.21155e-01 -8.36493e-01 0.00000e+00 0.00000e+00 2.87499e+01 261.759 1.53215e+01 261.759 0.3889 
1 1 1 11 20 20 o 17 6.98583e+01 2.65183e+01 2.98795e+01 292.314 7.71132e-01  -1.87895e+00 0.00000e+00 0.00000e+00 3.70713e+01 292.314 7.19181e+00 292.314 0.7028 
1 1 1 11 20 21 o 2  6.63022e+01 2.65795e+01 6.80489e+00 127.542 -2.78950e-01 3.62979e-01  0.00000e+00 0.00000e+00 1.35757e+01 127.542 6.77081e+00 127.542 0.2231 
1 1 1 11 20 22 o 15 7.98194e+01 2.84486e+01 3.17964e+01 94.950  -2.40699e-01 2.77922e+00  0.00000e+00 0.00000e+00 5.63818e+01 94.950  2.45854e+01 94.950  0.7931 
1 1 1 11 20 23 f 0  5.80311e+01 2.52710e+01 1.87158e+01 206.532 -1.18317e+00 -5.90736e-01 0.00000e+00 0.00000e+00 2.61717e+01 206.532 7.45591e+00 206.532 0.5491 
1 1 1 11 20 24 o 19 5.92462e+01 2.59657e+01 3.07866e+01 285.735 6.51675e-01  -2.31292e+00 0.00000e+00 0.00000e+00 3.28956e+01 285.735 2.10903e+00 285.735 0.7540 
1 1 1 11 20 25 o 14 1.02509e+02 3.05267e+01 4.10344e+01 12.446  4.63190e+00  1.02231e+00  0.00000e+00 0.00000e+00 9.02050e+01 12.446  4.91706e+01 12.446  0.8871 
1 1 1 11 20 26 o 3  6.12855e+01 2.67500e+01 1.96979e+01 198.194 -1.68741e+00 -5.54588e-01 0.00000e+00 0.00000e+00 3.92005e+01 198.194 1.95026e+01 198.194 0.6574 
1 1 1 11 21 0  o 3  1.32185e+02 3.08998e+01 8.83888e+00 90.000  1.35984e-17  2.22080e-01  0.00000e+00 0.00000e+00 2.75544e+01 90.000  1.87155e+01 90.000  0.2185 
1 1 1 11 21 1  o 10 7.48799e+01 2.89442e+01 3.54350e+01 109.408 -3.08362e-01 8.75269e-01  0.00000e+00 0.00000e+00 4.23102e+00 109.408 3.12039e+01 289.408 0.4203 
1 1 1 11 21 2  o 16 1.48107e+02 2.06187e+01 4.01032e+01 196.594 -2.13138e+00 -6.35138e-01 0.00000e+00 0.00000e+00 9.65175e+01 196.594 5.64143e+01 196.594 0.7313 
1 1 1 11 21 3  o 19 1.08621e+02 2.51383e+01 1.47902e+01 249.734 -1.98068e-01 -5.36432e-01 0.00000e+00 0.00000e+00 2.29109e+01 249.734 8.12068e+00 249.734 0.2748 
1 1 1 11 21 4  o 2  1.24369e+02 2.46687e+01 1.06123e+02 344.656 4.53554e+00  -1.24451e+00 0.00000e+00 0.00000e+00 3.32856e+01 344.656 7.28377e+01 164.656 0.8860 
1 1 1 11 21 5  o 2  1.07458e+02 3.10604e+01 3.54307e+01 8.687   1.49930e+00  2.29081e-01  0.00000e+00 0.00000e+00 4.63568e+01 8.687   1.09261e+01 8.687   0.6002 
1 1 1 11 21 6  o 1  1.66314e+02 1.89004e+01 1.23100e+02 156.580 -8.78343e+00 3.80449e+00  0.00000e+00 0.00000e+00 7.70039e+01 156.580 4.60959e+01 336.580 0.9462 
1 1 1 11 21 7  o 15 4.50503e+01 1.97367e+01 3.59679e+01 166.015 -7.39204e-01 1.84104e-01  0.00000e+00 0.00000e+00 1.55257e+01 346.015 5.14936e+01 346.015 0.3557 
1 1 1 11 21 8  o 5  9.54846e+01 2.24145e+01 2.98950e+01 317.993 1.07642e+00  -9.69438e-01 0.00000e+00 0.00000e+00 4.14112e+01 317.993 1.15162e+01 317.993 0.5832 
1 1 1 11 21 9  o 15 1.30637e+02 2.41735e+01 8.46108e+01 141.123 -4.39642e+00 3.54457e+00  0.00000e+00 0.00000e+00 6.76877e+01 141.123 1.69231e+01 321.123 0.9065 
1 1 1 11 21 10 o 7  5.14247e+01 2.25690e+01 5.32166e+01 326.762 1.07585e+00  -7.05047e-01 0.00000e+00 0.00000e+00 1.74188e+01 146.762 7.06354e+01 146.762 0.5387 
1 1 1 11 21 11 o 13 7.81238e+01 2.67506e+01 4.65695e+01 113.527 -6.69443e-01 1.53763e+00  0.00000e+00 0.00000e+00 1.80744e+01 113.527 2.84951e+01 293.527 0.6369 
1 1 1 11 21 12 o 4  7.42290e+01 2.68011e+01 4.53749e+01 45.445  1.30602e+00  1.32646e+00  0.00000e+00 0.00000e+00 1.99648e+01 45.445  2.54101e+01 225.445 0.6737 
1 1 1 11 21 13 o 12 1.26863e+02 2.58976e+01 7.56834e+01 254.924 -1.50243e+00 -5.57756e+00 0.00000e+00 0.00000e+00 7.59061e+01 254.924 2.22700e-01 254.924 0.9087 
1 1 1 11 21 14 o 16 1.20377e+02 2.83100e+01 5.09084e+01 101.426 -7.21076e-01 3.56791e+00  0.00000e+00 0.00000e+00 8.42502e+01 101.426 3.33419e+01 101.426 0.8481 
1 1 1 11 21 15 o 2  7.24165e+01 2.85793e+01 3.14176e+01 86.693  9.02093e-02  1.56123e+00  0.00000e+00 0.00000e+00 2.76403e+01 86.693  3.77729e+00 266.693 0.6115 
1 1 1 11 21 16 o 16 6.75032e+01 2.76975e+01 5.03638e+01 207.001 -2.35562e+00 -1.20031e+00 0.00000e+00 0.00000e+00 2.03848e+01 207.001 2.99790e+01 27.001  0.7798 
1 1 1 11 21 17 o 3  7.70770e+01 2.70892e+01 3.42793e+01 7.461   2.27580e+00  2.98043e-01  0.00000e+00 0.00000e+00 4.31033e+01 7.461   8.82403e+00 7.461   0.7408 
1 1 1 11 21 18 o 1  8.31285e+01 3.12475e+01 4.88111e+01 16.311  3.03283e+00  8.87507e-01  0.00000e+00 0.00000e+00 4.45240e+01 16.311  4.28706e+00 196.311 0.8212 
1 1 1 11 21 19 o 1  4.50111e+01 2.12751e+01 3.09047e+01 131.012 -1.06534e+00 1.22499e+00  0.00000e+00 0.00000e+00 7.93377e+00 131.012 2.29709e+01 311.012 0.6252 
1 1 1 11 21 20 o 2  8.13276e+01 3.11560e+01 6.75987e+01 206.456 -4.20137e+00 -2.09068e+00 0.00000e+00 0.00000e+00 3.28020e+01 206.456 3.47967e+01 26.456  0.8857 
1 1 1 11 21 21 o 13 5.67281e+01 2.49307e+01 2.63553e+01 252.821 -5.65494e-01 -1.82924e+00 0.00000e+00 0.00000e+00 2.82282e+01 252.821 1.87288e+00 252.821 0.6832 
1 1 1 11 21 22 o 14 1.17177e+02 2.73336e+01 5.51649e+01 28.597  6.30720e+00  3.43840e+00  0.00000e+00 0.00000e+00 9.95618e+01 28.597  4.43968e+01 28.597  0.9275 
1 1 1 11 21 23 o 6  5.15298e+01 2.35309e+01 3.01786e+01 3.899   2.30060e+00  1.56819e-01  0.00000e+00 0.00000e+00 2.48849e+01 3.899   5.29376e+00 183.899 0.7421 
1 1 1 11 21 24 o 15 5.22143e+01 2.39384e+01 2.89959e+01 209.038 -2.10250e+00 -1.16726e+00 0.00000e+00 0.00000e+00 2.83846e+01 209.038 6.11277e-01 29.038  0.7542 
1 1 1 11 21 25 o 9  5.20779e+01 2.39919e+01 2.92885e+01 135.640 -1.79556e+00 1.75586e+00  0.00000e+00 0.00000e+00 2.95754e+01 135.640 2.86829e-01 135.640 0.7662 
1 1 1 11 22 0  o 9  1.90272e+02 2.32808e+01 1.06670e+02 90.000  3.05445e-16  4.98830e+00  0.00000e+00 0.00000e+00 1.38620e+02 90.000  3.19497e+01 90.000  0.9999 
1 1 1 11 22 1  o 5  1.60486e+02 2.05018e+01 7.23243e+01 79.242  1.01632e+00  5.34887e+00  0.00000e+00 0.00000e+00 1.14514e+02 79.242  4.21894e+01 79.242  0.9028 
1 1 1 11 22 2  f 0  9.09782e+01 2.83730e+01 2.42191e+01 176.233 -9.22370e-01 6.07374e-02  0.00000e+00 0.00000e+00 2.49714e+01 176.233 7.52299e-01 176.233 0.4189 
1 1 1 11 22 3  o 4  1.85920e+02 1.90469e+01 7.41964e+01 203.723 -6.00167e+00 -2.63742e+00 0.00000e+00 0.00000e+00 1.46879e+02 203.723 7.26830e+01 203.723 0.9202 
1 1 1 11 22 4  o 15 7.91842e+01 2.67615e+01 2.37537e+01 175.243 -8.93976e-01 7.43891e-02  0.00000e+00 0.00000e+00 1.81423e+01 175.243 5.61141e+00 355.243 0.4087 
1 1 1 11 22 5  o 3  7.57317e+01 2.59366e+01 6.35552e+01 323.229 1.85514e+00  -1.38636e+00 0.00000e+00 0.00000e+00 9.48865e+00 323.229 5.40665e+01 143.229 0.7434 
1 1 1 11 22 6  o 10 1.03442e+02 2.49166e+01 6.05842e+01 191.308 -3.11463e+00 -6.22840e-01 0.00000e+00 0.00000e+00 5.00710e+01 191.308 1.05132e+01 11.308  0.8222 
1 1 1 11 22 7  o 13 1.53216e+02 1.98554e+01 9.07098e+01 57.133  4.10332e+00  6.35084e+00  0.00000e+00 0.00000e+00 9.55460e+01 57.133  4.83623e+00 57.133  0.9313 
1 1 1 11 22 8  o 16 1.20051e+02 2.22950e+01 9.46625e+01 2.406   5.35871e+00  2.25174e-01  0.00000e+00 0.00000e+00 4.70904e+01 2.406   4.75720e+01 182.406 0.9012 
1 1 1 11 22 9  o 2  7.34738e+01 2.37177e+01 6.54653e+01 189.265 -2.29810e+00 -3.74898e-01 0.00000e+00 0.00000e+00 6.56100e+00 189.265 5.89043e+01 9.265   0.7450 
1 1 1 11 22 10 o 3  7.03484e+01 2.56878e+01 4.10807e+01 81.080  2.53694e-01  1.61643e+00  0.00000e+00 0.00000e+00 1.73368e+01 81.080  2.37439e+01 261.080 0.6280 
1 1 1 11 22 11 o 1  1.82903e+02 2.78792e+01 7.84327e+01 285.455 2.21472e+00  -8.01062e+00 0.00000e+00 0.00000e+00 1.49552e+02 285.455 7.11196e+01 285.455 0.9378 
1 1 1 11 22 12 o 3  1.56070e+02 2.17332e+01 6.89376e+01 177.511 -7.38533e+00 3.20980e-01  0.00000e+00 0.00000e+00 1.25044e+02 177.511 5.61069e+01 177.511 0.9297 
1 1 1 11 22 13 o 17 1.97402e+02 1.98956e+01 3.27440e+01 41.747  4.14182e+00  3.69629e+00  0.00000e+00 0.00000e+00 2.07550e+02 41.747  1.74806e+02 41.747  0.9048 
1 1 1 11 22 14 o 2  5.41658e+01 2.44997e+01 2.58680e+01 324.546 9.31523e-01  -6.63332e-01 0.00000e+00 0.00000e+00 1.04479e+01 324.546 1.54201e+01 144.546 0.4950 
1 1 1 11 22 15 o 17 5.61073e+01 2.52435e+01 3.62212e+01 225.033 -1.19356e+00 -1.19493e+00 0.00000e+00 0.00000e+00 1.27381e+01 225.033 2.34831e+01 45.033  0.6395 
1 1 1 11 22 16 o 2  6.34519e+01 2.70848e+01 4.16304e+01 63.554  1.08502e+00  2.18138e+00  0.00000e+00 0.00000e+00 2.45046e+01 63.554  1.71258e+01 243.554 0.7579 
1 1 1 11 22 17 o 15 7.33752e+01 2.93714e+01 5.03243e+01 11.824  3.09386e+00  6.47690e-01  0.00000e+00 0.00000e+00 3.32359e+01 11.824  1.70885e+01 191.824 0.8212 
1 1 1 11 22 18 o 9  6.86460e+01 2.92261e+01 2.69035e+01 263.847 -1.77173e-01 -1.64360e+00 0.00000e+00 0.00000e+00 3.37705e+01 263.847 6.86702e+00 263.847 0.6318 
1 1 1 11 22 19 o 9  1.49111e+02 2.48300e+01 5.72799e+01 175.198 -9.18099e+00 7.71249e-01  0.00000e+00 0.00000e+00 1.41508e+02 175.198 8.42278e+01 175.198 0.9441 
1 1 1 11 22 20 o 15 8.39862e+01 2.87539e+01 2.38600e+01 133.160 -1.47367e+00 1.57150e+00  0.00000e+00 0.00000e+00 6.25639e+01 133.160 3.87039e+01 133.160 0.7216 
1 1 1 11 22 21 o 14 1.22998e+02 2.77877e+01 3.82405e+01 26.143  4.81754e+00  2.36455e+00  0.00000e+00 0.00000e+00 1.21487e+02 26.143  8.32469e+01 26.143  0.9012 
1 1 1 11 22 22 o 19 4.50074e+01 2.13179e+01 1.36664e+01 288.889 3.29542e-01  -9.63128e-01 0.00000e+00 0.00000e+00 1.60132e+01 288.889 2.34679e+00 288.889 0.4527 
1 1 1 11 22 23 o 18 5.43707e+01 2.42160e+01 9.96245e+00 350.523 8.32182e-01  -1.38912e-01 0.00000e+00 0.00000e+00 2.11397e+01 350.523 1.11772e+01 350.523 0.3883 
1 1 1 11 22 24 o 14 4.90773e+01 2.29322e+01 2.11536e+01 44.722  1.28751e+00  1.27508e+00  0.00000e+00 0.00000e+00 2.74550e+01 44.722  6.30145e+00 44.722  0.6644 
1 1 1 11 23 0  f 0  5.86388e+01 3.38033e+01 3.67282e+01 270.000 -3.08257e-17 -5.03422e-01 0.00000e+00 0.00000e+00 7.35078e-01 90.000  3.74632e+01 90.000  0.4648 
1 1 1 11 23 1  o 2  7.33395e+01 2.45216e+01 3.37538e+01 2.755   1.14477e+00  5.50809e-02  0.00000e+00 0.00000e+00 1.42733e+01 2.755   1.94805e+01 182.755 0.4958 
1 1 1 11 23 2  o 17 1.24092e+02 2.35792e+01 5.49142e+01 58.756  1.65689e+00  2.73112e+00  0.00000e+00 0.00000e+00 8.01534e+01 58.756  2.52392e+01 58.756  0.8234 
1 1 1 11 23 3  o 7  2.08765e+02 1.96316e+01 5.21495e+01 62.714  2.46379e+00  4.77638e+00  0.00000e+00 0.00000e+00 1.96921e+02 62.714  1.44772e+02 62.714  0.9014 
1 1 1 11 23 4  f 0  2.45838e+02 1.90346e+01 1.01893e+02 199.091 -1.17321e+01 -4.06046e+00 0.00000e+00 0.00000e+00 2.10650e+02 199.091 1.08756e+02 199.091 0.9588 
1 1 1 11 23 5  o 17 2.61742e+02 1.86849e+01 1.14269e+02 169.596 -1.54386e+01 2.83451e+00  0.00000e+00 0.00000e+00 2.22298e+02 169.596 1.08030e+02 169.596 0.9676 
1 1 1 11 23 6  f 0  1.37083e+02 2.19726e+01 1.04131e+02 358.973 7.11832e+00  -1.27602e-01 0.00000e+00 0.00000e+00 6.51847e+01 358.973 3.89462e+01 178.973 0.9268 
1 1 1 11 23 7  o 2  1.35696e+02 3.15260e+01 3.68592e+01 359.572 2.52532e+00  -1.88534e-02 0.00000e+00 0.00000e+00 1.02427e+02 359.572 6.55675e+01 359.572 0.7677 
1 1 1 11 23 8  o 7  5.25838e+01 2.16735e+01 3.71934e+01 172.035 -1.28402e+00 1.79662e-01  0.00000e+00 0.00000e+00 1.03243e+00 172.035 3.61610e+01 352.035 0.5417 
1 1 1 11 23 9  o 6  5.17134e+01 2.15254e+01 1.71775e+01 276.214 6.70799e-02  -6.16065e-01 0.00000e+00 0.00000e+00 3.44498e+00 276.214 1.37325e+01 96.214  0.2959 
1 1 1 11 23 10 o 2  1.00356e+02 2.29322e+01 2.53213e+01 227.321 -1.24126e+00 -1.34611e+00 0.00000e+00 0.00000e+00 6.54662e+01 227.321 4.01449e+01 227.321 0.6680 
1 1 1 11 23 11 f 0  6.97764e+01 2.70479e+01 4.80376e+01 158.530 -2.24742e+00 8.83933e-01  0.00000e+00 0.00000e+00 2.37279e+01 158.530 2.43098e+01 338.530 0.7554 
1 1 1 11 23 12 o 11 5.36839e+01 2.37920e+01 2.66339e+01 298.302 5.66163e-01  -1.05140e+00 0.00000e+00 0.00000e+00 1.09299e+01 298.302 1.57040e+01 118.302 0.5110 
1 1 1 11 23 13 o 18 5.96360e+01 2.58106e+01 5.43312e+01 56.582  1.46523e+00  2.22065e+00  0.00000e+00 0.00000e+00 9.88482e+00 56.582  4.44464e+01 236.582 0.7814 
1 1 1 11 23 14 o 2  7.31813e+01 2.88714e+01 6.44929e+01 141.049 -3.19209e+00 2.58039e+00  0.00000e+00 0.00000e+00 2.35841e+01 141.049 4.09088e+01 321.049 0.8674 
1 1 1 11 23 15 o 12 6.31821e+01 2.71205e+01 2.59275e+01 250.926 -4.78815e-01 -1.38473e+00 0.00000e+00 0.00000e+00 2.59450e+01 250.926 1.74058e-02 250.926 0.5874 
1 1 1 11 23 16 o 13 7.59953e+01 2.98511e+01 5.14215e+01 323.409 2.70510e+00  -2.00831e+00 0.00000e+00 0.00000e+00 3.78543e+01 323.409 1.35672e+01 143.409 0.8340 
1 1 1 11 23 17 o 13 5.10030e+01 2.46347e+01 1.88545e+00 104.142 -2.47786e-02 9.83451e-02  0.00000e+00 0.00000e+00 1.78349e+00 104.142 1.01959e-01 284.142 0.0506 
1 1 1 11 23 18 o 13 7.41462e+01 2.87448e+01 2.83288e+01 163.933 -2.01456e+00 5.80208e-01  0.00000e+00 0.00000e+00 4.74281e+01 163.933 1.90994e+01 163.933 0.7130 
1 1 1 11 23 19 o 10 5.22326e+01 2.40020e+01 2.18574e+00 49.555  9.62329e-02  1.12893e-01  0.00000e+00 0.00000e+00 3.40265e+00 49.555  1.21691e+00 49.555  0.0740 
1 1 1 11 23 20 f 0  6.55576e+01 3.04073e+01 4.54387e+01 338.903 2.79873e+00  -1.07977e+00 0.00000e+00 0.00000e+00 3.21258e+01 338.903 1.33129e+01 158.903 0.8100 
1 1 1 11 23 21 o 6  8.52128e+01 2.86602e+01 3.52203e+01 56.681  1.87948e+00  2.85918e+00  0.00000e+00 0.00000e+00 7.00342e+01 56.681  3.48139e+01 56.681  0.8369 
1 1 1 11 23 22 o 18 5.01258e+01 2.31071e+01 1.48185e+01 252.289 -3.72600e-01 -1.16674e+00 0.00000e+00 0.00000e+00 2.41006e+01 252.289 9.28209e+00 252.289 0.5204 
1 1 1 11 23 23 o 1  6.98946e+01 2.79184e+01 3.70579e+01 239.450 -1.77928e+00 -3.01461e+00 0.00000e+00 0.00000e+00 5.16590e+01 239.450 1.46011e+01 239.450 0.8411 
1 1 1 11 24 0  o 13 7.97371e+01 3.77899e+01 3.29787e+01 90.000  4.50246e-17  7.35308e-01  0.00000e+00 0.00000e+00 3.46437e+01 90.000  1.66497e+00 90.000  0.6263 
1 1 1 11 24 1  o 16 8.15874e+01 2.55265e+01 5.57034e+01 217.952 -2.05173e+00 -1.60022e+00 0.00000e+00 0.00000e+00 3.00091e+01 217.952 2.56943e+01 37.952  0.7756 
1 1 1 11 24 2  o 10 1.27226e+02 2.47401e+01 4.70565e+01 301.235 1.95124e+00  -3.21742e+00 0.00000e+00 0.00000e+00 1.00170e+02 301.235 5.31138e+01 301.235 0.8537 
1 1 1 11 24 3  o 10 9.90924e+01 2.94533e+01 6.61004e+01 1.438   3.70386e+00  9.30021e-02  0.00000e+00 0.00000e+00 4.83643e+01 1.438   1.77360e+01 181.438 0.8511 
1 1 1 11 24 4  o 13 7.48803e+01 2.79279e+01 3.80942e+01 39.403  1.28626e+00  1.05667e+00  0.00000e+00 0.00000e+00 2.64778e+01 39.403  1.16164e+01 219.403 0.6343 
1 1 1 11 24 5  o 16 1.80337e+02 1.92190e+01 7.78304e+01 115.631 -4.46724e+00 9.31091e+00  0.00000e+00 0.00000e+00 1.55687e+02 115.631 7.78562e+01 115.631 0.9503 
1 1 1 11 24 6  o 9  9.23159e+01 2.64171e+01 5.17087e+01 66.778  1.18360e+00  2.75856e+00  0.00000e+00 0.00000e+00 5.04822e+01 66.778  1.22653e+00 246.778 0.8101 
1 1 1 11 24 7  o 2  1.43874e+02 2.20603e+01 5.60519e+01 271.056 1.09720e-01  -5.95002e+00 0.00000e+00 0.00000e+00 1.23750e+02 271.056 6.76983e+01 271.056 0.9116 
1 1 1 11 24 8  o 5  6.18161e+01 2.32975e+01 3.07281e+01 133.108 -1.03670e+00 1.10753e+00  0.00000e+00 0.00000e+00 2.03383e+01 133.108 1.03898e+01 313.108 0.6003 
1 1 1 11 24 9  o 2  8.28475e+01 2.43960e+01 6.84912e+01 292.979 1.83279e+00  -4.32217e+00 0.00000e+00 0.00000e+00 3.29291e+01 292.979 3.55620e+01 112.979 0.8858 
1 1 1 11 24 10 o 5  7.35209e+01 2.48177e+01 3.51343e+01 238.503 -1.15048e+00 -1.87764e+00 0.00000e+00 0.00000e+00 3.92242e+01 238.503 4.08992e+00 238.503 0.7283 
1 1 1 11 24 11 o 16 1.54466e+02 1.85325e+01 8.14115e+01 119.593 -7.14469e+00 1.25805e+01  0.00000e+00 0.00000e+00 1.26638e+02 119.593 4.52268e+01 119.593 0.9648 
1 1 1 11 24 12 o 19 4.79056e+01 2.22497e+01 5.45038e+01 49.180  1.86910e+00  2.16388e+00  0.00000e+00 0.00000e+00 7.55677e-01 229.180 5.52595e+01 229.180 0.7990 
1 1 1 11 24 13 o 2  4.99042e+01 2.30902e+01 1.66299e+01 314.634 5.98972e-01  -6.06675e-01 0.00000e+00 0.00000e+00 1.09923e+01 314.634 5.63762e+00 134.634 0.3917 
1 1 1 11 24 14 o 1  6.97286e+01 2.85105e+01 4.34788e+01 205.138 -2.41076e+00 -1.13125e+00 0.00000e+00 0.00000e+00 3.40600e+01 205.138 9.41872e+00 25.138  0.7816 
1 1 1 11 24 15 o 9  6.53129e+01 2.93800e+01 2.81087e+01 355.632 1.62277e+00  -1.23942e-01 0.00000e+00 0.00000e+00 3.04963e+01 355.632 2.38759e+00 355.632 0.6261 
1 1 1 11 24 16 o 10 7.69203e+01 3.00849e+01 4.37549e+01 0.862   3.18386e+00  4.79040e-02  0.00000e+00 0.00000e+00 4.76528e+01 0.862   3.89786e+00 0.862   0.8227 
1 1 1 11 24 17 o 1  6.60017e+01 2.99428e+01 3.93703e+01 203.060 -2.42616e+00 -1.03286e+00 0.00000e+00 0.00000e+00 3.55233e+01 203.060 3.84705e+00 23.060  0.7791 
1 1 1 11 24 18 o 11 7.82841e+01 2.99979e+01 3.36673e+01 159.204 -2.42321e+00 9.20291e-01  0.00000e+00 0.00000e+00 5.54394e+01 159.204 2.17721e+01 159.204 0.7747 
1 1 1 11 24 19 o 18 6.40828e+01 2.73021e+01 1.03933e+01 14.933  7.95853e-01  2.12244e-01  0.00000e+00 0.00000e+00 2.57657e+01 14.933  1.53724e+01 14.933  0.3804 
1 1 1 11 24 20 o 19 1.26433e+02 3.23771e+01 4.87396e+01 359.787 6.25433e+00  -2.32129e-02 0.00000e+00 0.00000e+00 1.24750e+02 359.787 7.60106e+01 359.787 0.9161 
1 1 1 11 24 21 o 15 4.26684e+01 2.05012e+01 6.99260e+00 350.962 5.77753e-01  -9.18945e-02 0.00000e+00 0.00000e+00 1.11310e+01 350.962 4.13836e+00 350.962 0.2807 
1 1 1 11 24 22 o 14 6.32076e+01 2.62898e+01 2.55926e+01 196.181 -2.28756e+00 -6.63789e-01 0.00000e+00 0.00000e+00 4.70785e+01 196.181 2.14858e+01 196.181 0.7515 
1 1 1 11 25 0  o 16 4.27268e+01 2.81340e+01 1.25565e+00 270.000 -1.27519e-18 -2.08254e-02 0.00000e+00 0.00000e+00 1.90644e-02 90.000  1.27471e+00 90.000  0.0208 
1 1 1 11 25 1  o 4  1.02794e+02 2.48236e+01 5.39770e+01 242.133 -1.79870e+00 -3.40186e+00 0.00000e+00 0.00000e+00 6.85582e+01 242.133 1.45812e+01 242.133 0.8574 
1 1 1 11 25 2  o 7  1.25833e+02 2.47799e+01 4.77934e+01 188.262 -4.12694e+00 -5.99295e-01 0.00000e+00 0.00000e+00 1.04480e+02 188.262 5.66869e+01 188.262 0.8698 
1 1 1 11 25 3  o 6  9.33729e+01 2.91240e+01 2.56007e+01 273.790 1.08258e-01  -1.63406e+00 0.00000e+00 0.00000e+00 5.61342e+01 273.790 3.05335e+01 273.790 0.6284 
1 1 1 11 25 4  o 15 1.75577e+02 2.63952e+01 7.46355e+01 26.444  8.64119e+00  4.29779e+00  0.00000e+00 0.00000e+00 1.57326e+02 26.444  8.26907e+01 26.444  0.9467 
1 1 1 11 25 5  o 12 6.11560e+01 2.52847e+01 5.47162e+01 327.202 2.27711e+00  -1.46739e+00 0.00000e+00 0.00000e+00 1.25127e+01 327.202 4.22035e+01 147.202 0.7859 
1 1 1 11 25 6  o 11 1.09577e+02 2.63031e+01 6.18259e+01 195.792 -5.10396e+00 -1.44350e+00 0.00000e+00 0.00000e+00 7.64960e+01 195.792 1.46700e+01 195.792 0.9000 
1 1 1 11 25 7  o 15 7.07498e+01 2.66674e+01 5.91110e+01 96.098  -3.58627e-01 3.35709e+00  0.00000e+00 0.00000e+00 2.39582e+01 96.098  3.51528e+01 276.098 0.8344 
1 1 1 11 25 8  o 5  6.43273e+01 2.38036e+01 5.80327e+00 280.129 6.42344e-02  -3.59561e-01 0.00000e+00 0.00000e+00 1.05204e+01 280.129 4.71711e+00 280.129 0.1796 
1 1 1 11 25 9  o 12 5.02723e+01 2.15715e+01 1.65947e+01 221.290 -6.55409e-01 -5.75584e-01 0.00000e+00 0.00000e+00 1.18827e+01 221.290 4.71202e+00 41.290  0.3993 
1 1 1 11 25 10 o 16 7.08450e+01 2.46897e+01 5.00402e+01 211.115 -3.04661e+00 -1.83890e+00 0.00000e+00 0.00000e+00 3.52010e+01 211.115 1.48391e+01 31.115  0.8441 
1 1 1 11 25 11 o 7  3.45460e+01 1.68784e+01 1.11163e+01 95.286  -4.44556e-02 4.80513e-01  0.00000e+00 0.00000e+00 4.93469e-01 95.286  1.06228e+01 275.286 0.2345 
1 1 1 11 25 12 o 4  4.76973e+01 2.24666e+01 3.77983e+01 32.428  1.72240e+00  1.09426e+00  0.00000e+00 0.00000e+00 1.06226e+01 32.428  2.71757e+01 212.428 0.7043 
1 1 1 11 25 13 o 4  8.74519e+01 2.95298e+01 4.03594e+01 105.654 -8.38363e-01 2.99183e+00  0.00000e+00 0.00000e+00 6.33481e+01 105.654 2.29887e+01 105.654 0.8176 
1 1 1 11 25 14 o 15 4.64158e+01 2.21750e+01 4.02814e+01 282.696 4.92839e-01  -2.18754e+00 0.00000e+00 0.00000e+00 9.45934e+00 282.696 3.08220e+01 102.696 0.7338 
1 1 1 11 25 15 o 8  4.52079e+01 2.16594e+01 3.47344e+01 275.518 2.24416e-01  -2.32294e+00 0.00000e+00 0.00000e+00 1.48536e+01 275.518 1.98808e+01 95.518  0.7456 
1 1 1 11 25 16 f 0  5.41515e+01 2.50279e+01 1.31187e+01 118.134 -4.13644e-01 7.73588e-01  0.00000e+00 0.00000e+00 1.90924e+01 118.134 5.97373e+00 118.134 0.4012 
1 1 1 11 25 17 o 4  4.74547e+01 2.35129e+01 9.73889e+00 318.671 4.79596e-01  -4.21764e-01 0.00000e+00 0.00000e+00 1.18345e+01 318.671 2.09561e+00 318.671 0.3041 
1 1 1 11 25 18 o 8  6.69656e+01 3.06039e+01 8.91577e+00 3.348   6.14105e-01  3.59294e-02  0.00000e+00 0.00000e+00 2.07675e+01 3.348   1.18518e+01 3.348   0.2939 
1 1 1 11 25 19 o 18 5.68567e+01 2.71298e+01 5.06792e+00 236.344 -2.09314e-01 -3.14373e-01 0.00000e+00 0.00000e+00 1.09931e+01 236.344 5.92521e+00 236.344 0.1856 
1 1 1 11 25 20 o 14 7.64604e+01 3.04785e+01 1.37471e+01 324.804 9.66932e-01  -6.81987e-01 0.00000e+00 0.00000e+00 4.59185e+01 324.804 3.21714e+01 324.804 0.5076 
1 1 1 11 25 21 o 9  6.54215e+01 2.70589e+01 1.62717e+01 326.151 1.23342e+00  -8.27229e-01 0.00000e+00 0.00000e+00 4.39360e+01 326.151 2.76642e+01 326.151 0.5924 
1 1 1 11 26 0  o 13 1.09113e+02 3.81384e+01 2.41920e+01 90.000  6.45648e-17  1.05442e+00  0.00000e+00 0.00000e+00 9.79110e+01 90.000  7.37190e+01 90.000  0.7835 
1 1 1 11 26 1  o 15 4.98983e+01 2.20563e+01 2.21746e+01 274.788 8.54984e-02  -1.02079e+00 0.00000e+00 0.00000e+00 1.02567e+01 274.788 1.19179e+01 94.788  0.4550 
1 1 1 11 26 2  o 11 5.54498e+01 2.51339e+01 2.51660e+01 66.732  5.17382e-01  1.20318e+00  0.00000e+00 0.00000e+00 1.80750e+01 66.732  7.09097e+00 246.732 0.5455 
1 1 1 11 26 3  o 1  5.92159e+01 2.56303e+01 3.03085e+01 85.737  1.22929e-01  1.64898e+00  0.00000e+00 0.00000e+00 2.32524e+01 85.737  7.05604e+00 265.737 0.6319 
1 1 1 11 26 4  o 13 4.28764e+01 2.03956e+01 6.05360e+01 178.331 -2.83457e+00 8.25686e-02  0.00000e+00 0.00000e+00 1.15279e+01 358.331 7.20638e+01 358.331 0.7971 
1 1 1 11 26 5  o 19 8.50423e+01 2.80341e+01 4.35835e+01 3.536   3.31500e+00  2.04819e-01  0.00000e+00 0.00000e+00 5.80126e+01 3.536   1.44291e+01 3.536   0.8312 
1 1 1 11 26 6  o 11 8.31713e+01 2.87113e+01 4.89332e+01 315.580 2.53270e+00  -2.48189e+00 0.00000e+00 0.00000e+00 5.21752e+01 315.580 3.24201e+00 315.580 0.8435 
1 1 1 11 26 7  o 3  7.12782e+01 2.72093e+01 6.27680e+01 203.887 -3.66355e+00 -1.62248e+00 0.00000e+00 0.00000e+00 2.62602e+01 203.887 3.65077e+01 23.887  0.8638 
1 1 1 11 26 8  o 4  6.39559e+01 2.39037e+01 2.84856e+01 334.331 1.71411e+00  -8.23795e-01 0.00000e+00 0.00000e+00 3.47289e+01 334.331 6.24330e+00 334.331 0.6810 
1 1 1 11 26 9  o 1  1.09256e+02 2.19130e+01 4.89729e+01 91.834  -1.90953e-01 5.96302e+00  0.00000e+00 0.00000e+00 9.62488e+01 91.834  4.72759e+01 91.834  0.9118 
1 1 1 11 26 10 o 14 1.37701e+02 1.91302e+01 7.91669e+01 87.827  5.27065e-01  1.38910e+01  0.00000e+00 0.00000e+00 1.15129e+02 87.827  3.59626e+01 87.827  0.9633 
1 1 1 11 26 11 o 5  4.85219e+01 2.17008e+01 3.72335e+01 258.667 -4.36718e-01 -2.17904e+00 0.00000e+00 0.00000e+00 1.50030e+01 258.667 2.22305e+01 78.667  0.7311 
1 1 1 11 26 12 o 3  4.69344e+01 2.12287e+01 2.59394e+01 279.146 2.65880e-01  -1.65149e+00 0.00000e+00 0.00000e+00 1.82726e+01 279.146 7.66685e+00 99.146  0.6360 
1 1 1 11 26 13 o 6  5.72444e+01 2.53593e+01 9.29498e+00 187.032 -6.57395e-01 -8.10926e-02 0.00000e+00 0.00000e+00 1.75172e+01 187.032 8.22218e+00 187.032 0.3143 
1 1 1 11 26 14 o 19 6.08366e+01 2.65614e+01 3.06841e+01 325.606 1.76967e+00  -1.21146e+00 0.00000e+00 0.00000e+00 3.50594e+01 325.606 4.37530e+00 325.606 0.7201 
1 1 1 11 26 15 o 12 5.36696e+01 2.50406e+01 1.22880e+01 166.529 -8.22271e-01 1.96974e-01  0.00000e+00 0.00000e+00 1.92704e+01 166.529 6.98242e+00 166.529 0.3890 
1 1 1 11 26 16 o 7  7.77063e+01 3.29935e+01 3.66727e+01 161.701 -2.50592e+00 8.28723e-01  0.00000e+00 0.00000e+00 5.55895e+01 161.701 1.89167e+01 161.701 0.7793 
1 1 1 11 26 17 o 14 4.49798e+01 2.17835e+01 1.99045e+01 249.477 -5.60367e-01 -1.49693e+00 0.00000e+00 0.00000e+00 2.29039e+01 249.477 2.99940e+00 249.477 0.6195 
1 1 1 11 26 18 o 6  4.21434e+01 2.06875e+01 1.68023e+01 24.835  1.23838e+00  5.73115e-01  0.00000e+00 0.00000e+00 1.98281e+01 24.835  3.02579e+00 24.835  0.5608 
1 1 1 11 26 19 o 17 4.82138e+01 2.35099e+01 2.45470e+01 340.304 1.92485e+00  -6.89026e-01 0.00000e+00 0.00000e+00 2.86224e+01 340.304 4.07540e+00 340.304 0.7049 
1 1 1 11 27 0  o 7  5.54304e+01 3.26306e+01 4.93840e+01 270.000 -8.66014e-17 -1.41431e+00 0.00000e+00 0.00000e+00 2.29648e+01 270.000 2.64193e+01 90.000  0.8884 
1 1 1 11 27 1  o 17 5.44875e+01 2.31587e+01 1.30644e+01 341.495 6.95227e-01  -2.32684e-01 0.00000e+00 0.00000e+00 1.44769e+01 341.495 1.41242e+00 341.495 0.3440 
1 1 1 11 27 2  o 15 4.21888e+01 2.05292e+01 3.38084e+01 26.386  1.50951e+00  7.48883e-01  0.00000e+00 0.00000e+00 5.81768e+00 26.386  2.79907e+01 206.386 0.6387 
1 1 1 11 27 3  o 4  6.75598e+01 2.79586e+01 1.65037e+01 59.278  5.11738e-01  8.61095e-01  0.00000e+00 0.00000e+00 2.79634e+01 59.278  1.14597e+01 59.278  0.4470 
1 1 1 11 27 4  o 11 5.83530e+01 2.47979e+01 1.19250e+01 238.358 -3.67779e-01 -5.96829e-01 0.00000e+00 0.00000e+00 1.65335e+01 238.358 4.60844e+00 238.358 0.3306 
1 1 1 11 27 5  o 10 4.92223e+01 2.27150e+01 2.53186e+01 147.441 -1.18236e+00 7.54964e-01  0.00000e+00 0.00000e+00 1.62481e+01 147.441 9.07055e+00 327.441 0.5712 
1 1 1 11 27 6  f 0  6.22613e+01 2.61686e+01 5.02984e+01 88.535  7.87660e-02  3.07927e+00  0.00000e+00 0.00000e+00 2.50007e+01 88.535  2.52977e+01 268.535 0.8157 
1 1 1 11 27 7  o 16 6.70394e+01 2.66563e+01 4.14793e+01 249.151 -9.70837e-01 -2.54914e+00 0.00000e+00 0.00000e+00 3.70633e+01 249.151 4.41609e+00 69.151  0.7877 
1 1 1 11 27 8  o 9  9.75382e+01 2.47789e+01 4.84919e+01 213.840 -4.27343e+00 -2.86512e+00 0.00000e+00 0.00000e+00 8.20875e+01 213.840 3.35955e+01 213.840 0.8966 
1 1 1 11 27 9  o 6  5.11790e+01 2.17572e+01 2.82157e+01 7.809   1.92370e+00  2.63806e-01  0.00000e+00 0.00000e+00 2.45803e+01 7.809   3.63537e+00 187.808 0.6880 
1 1 1 11 27 10 o 3  9.91599e+01 2.36484e+01 3.10790e+01 353.400 4.13492e+00  -4.78416e-01 0.00000e+00 0.00000e+00 9.88260e+01 353.400 6.77470e+01 353.400 0.8695 
1 1 1 11 27 11 o 9  7.29744e+01 2.51555e+01 1.21606e+01 28.856  9.54292e-01  5.25847e-01  0.00000e+00 0.00000e+00 4.05897e+01 28.856  2.84291e+01 28.856  0.4772 
1 1 1 11 27 12 o 7  6.97706e+01 2.55623e+01 2.70506e+01 106.716 -6.46202e-01 2.15173e+00  0.00000e+00 0.00000e+00 5.10124e+01 106.716 2.39618e+01 106.716 0.7344 
1 1 1 11 27 13 o 11 4.92994e+01 2.22187e+01 3.50494e+01 266.179 -1.69095e-01 -2.53151e+00 0.00000e+00 0.00000e+00 2.30721e+01 266.179 1.19773e+01 86.179  0.7690 
1 1 1 11 27 14 o 4  5.43854e+01 2.48782e+01 2.19211e+01 265.875 -1.18281e-01 -1.64007e+00 0.00000e+00 0.00000e+00 3.09539e+01 265.875 9.03279e+00 265.875 0.6298 
1 1 1 11 27 15 o 5  5.20332e+01 2.43200e+01 2.91016e+01 134.126 -1.61492e+00 1.66497e+00  0.00000e+00 0.00000e+00 3.10824e+01 134.126 1.98077e+00 134.126 0.7439 
1 1 1 11 27 16 o 10 6.57605e+01 2.99511e+01 1.99562e+01 177.934 -1.47777e+00 5.33005e-02  0.00000e+00 0.00000e+00 4.09325e+01 177.934 2.09763e+01 177.934 0.5908 
1 1 1 11 27 17 o 12 5.21156e+01 2.45070e+01 1.90182e+01 7.124   1.52525e+00  1.90619e-01  0.00000e+00 0.00000e+00 3.08209e+01 7.124   1.18027e+01 7.124   0.6052 
1 1 1 11 27 18 f 0  6.40585e+01 2.85344e+01 9.38871e+00 11.869  7.41711e-01  1.55889e-01  0.00000e+00 0.00000e+00 2.67757e+01 11.869  1.73870e+01 11.869  0.3541 
1 1 1 11 28 0  o 18 4.25682e+01 2.81108e+01 3.64427e+00 90.000  6.30244e-18  1.02927e-01  0.00000e+00 0.00000e+00 2.96099e+00 90.000  6.83276e-01 270.000 0.1026 
1 1 1 11 28 1  o 13 6.28750e+01 2.48765e+01 1.92766e+01 61.726  6.21929e-01  1.15631e+00  0.00000e+00 0.00000e+00 3.27101e+01 61.726  1.34335e+01 61.726  0.5464 
1 1 1 11 28 2  o 4  7.44113e+01 2.93748e+01 2.44694e+01 12.508  1.60324e+00  3.55663e-01  0.00000e+00 0.00000e+00 4.64546e+01 12.508  2.19852e+01 12.508  0.6294 
1 1 1 11 28 3  o 8  5.66192e+01 2.49613e+01 5.55312e+01 219.686 -2.60574e+00 -2.16226e+00 0.00000e+00 0.00000e+00 1.61495e+01 219.686 3.93817e+01 39.686  0.8349 
1 1 1 11 28 4  o 4  4.19261e+01 2.02141e+01 2.44272e+01 24.184  1.21706e+00  5.46565e-01  0.00000e+00 0.00000e+00 1.07518e+01 24.184  1.36754e+01 204.184 0.5524 
1 1 1 11 28 5  o 6  7.35494e+01 2.81096e+01 5.21635e+01 1.426   3.88949e+00  9.68010e-02  0.00000e+00 0.00000e+00 4.40444e+01 1.426   8.11916e+00 181.426 0.8592 
1 1 1 11 28 6  f 0  6.67138e+01 2.65101e+01 3.50679e+01 154.586 -2.48243e+00 1.17947e+00  0.00000e+00 0.00000e+00 4.53451e+01 154.586 1.02772e+01 154.586 0.7895 
1 1 1 11 28 7  o 13 6.28005e+01 2.59167e+01 3.87972e+01 93.320  -1.69913e-01 2.92868e+00  0.00000e+00 0.00000e+00 3.86326e+01 93.320  1.64644e-01 273.320 0.8050 
1 1 1 11 28 8  o 13 6.32394e+01 2.46308e+01 2.00730e+01 6.795   1.57990e+00  1.88258e-01  0.00000e+00 0.00000e+00 4.00015e+01 6.795   1.99284e+01 6.795   0.6179 
1 1 1 11 28 9  o 4  4.01555e+01 1.89127e+01 3.29179e+01 205.886 -1.93692e+00 -9.39952e-01 0.00000e+00 0.00000e+00 1.18096e+01 205.886 2.11083e+01 25.886  0.7214 
1 1 1 11 28 10 o 3  6.86694e+01 2.49265e+01 2.95203e+01 247.827 -9.80707e-01 -2.40642e+00 0.00000e+00 0.00000e+00 5.30830e+01 247.827 2.35627e+01 247.827 0.7753 
1 1 1 11 28 11 o 14 3.93904e+01 1.86722e+01 8.48720e+00 278.105 9.15029e-02  -6.42500e-01 0.00000e+00 0.00000e+00 1.04686e+01 278.105 1.98138e+00 278.105 0.3085 
1 1 1 11 28 12 o 1  5.95609e+01 2.42543e+01 1.67439e+01 152.782 -1.23874e+00 6.37109e-01  0.00000e+00 0.00000e+00 3.63814e+01 152.782 1.96375e+01 152.782 0.5685 
1 1 1 11 28 13 o 9  5.52323e+01 2.37286e+01 1.99634e+01 325.867 1.43667e+00  -9.73892e-01 0.00000e+00 0.00000e+00 3.66480e+01 325.867 1.66846e+01 325.867 0.6492 
1 1 1 11 28 14 o 6  4.11780e+01 1.97921e+01 6.63583e+00 98.499  -8.18118e-02 5.47504e-01  0.00000e+00 0.00000e+00 1.08210e+01 98.499  4.18518e+00 98.499  0.2667 
1 1 1 11 28 15 o 18 6.65567e+01 2.99632e+01 2.77527e+01 135.470 -1.48494e+00 1.46076e+00  0.00000e+00 0.00000e+00 4.80136e+01 135.470 2.02609e+01 135.470 0.7109 
1 1 1 11 28 16 o 10 5.07174e+01 2.40599e+01 1.69729e+01 324.134 1.14451e+00  -8.27465e-01 0.00000e+00 0.00000e+00 2.99821e+01 324.134 1.30092e+01 324.134 0.5737 
1 1 1 11 29 0  o 13 4.50302e+01 2.94339e+01 1.11524e+01 270.000 -2.31257e-17 -3.77671e-01 0.00000e+00 0.00000e+00 1.41777e+01 270.000 3.02532e+00 270.000 0.3607 
1 1 1 11 29 1  o 5  5.65813e+01 2.47879e+01 1.93546e+01 100.641 -2.50760e-01 1.33462e+00  0.00000e+00 0.00000e+00 2.99866e+01 100.641 1.06321e+01 100.641 0.5590 
1 1 1 11 29 2  o 13 5.78061e+01 2.57752e+01 2.94757e+01 147.683 -1.70191e+00 1.07663e+00  0.00000e+00 0.00000e+00 3.36983e+01 147.683 4.22264e+00 147.683 0.7000 
1 1 1 11 29 3  f 0  4.67512e+01 2.18933e+01 3.12375e+01 321.350 1.61295e+00  -1.28989e+00 0.00000e+00 0.00000e+00 2.05168e+01 321.350 1.07208e+01 141.350 0.7082 
1 1 1 11 29 4  o 17 7.54862e+01 2.83893e+01 8.41568e+00 54.263  3.84795e-01  5.34768e-01  0.00000e+00 0.00000e+00 2.85509e+01 54.263  2.01353e+01 54.263  0.3127 
1 1 1 11 29 5  o 7  4.03318e+01 1.94999e+01 4.35927e+00 47.427  1.88037e-01  2.04681e-01  0.00000e+00 0.00000e+00 4.35351e+00 47.427  5.76051e-03 227.427 0.1376 
1 1 1 11 29 6  f 0  5.85154e+01 2.52059e+01 2.60388e+01 234.599 -1.11154e+00 -1.56402e+00 0.00000e+00 0.00000e+00 3.69492e+01 234.599 1.09104e+01 234.599 0.6840 
1 1 1 11 29 7  o 18 4.04101e+01 1.95833e+01 2.15051e+01 296.828 7.23348e-01  -1.43025e+00 0.00000e+00 0.00000e+00 1.80883e+01 296.828 3.41685e+00 116.828 0.6205 
1 1 1 11 29 8  o 3  7.84531e+01 2.58294e+01 3.27626e+01 52.899  2.01566e+00  2.66512e+00  0.00000e+00 0.00000e+00 7.07385e+01 52.899  3.79759e+01 52.899  0.8324 
1 1 1 11 29 9  o 1  7.97980e+01 2.55795e+01 1.17549e+01 125.495 -7.05562e-01 9.89338e-01  0.00000e+00 0.00000e+00 5.39713e+01 125.495 4.22164e+01 125.495 0.5175 
1 1 1 11 29 10 o 12 9.72044e+01 2.47142e+01 2.36646e+01 187.256 -3.37317e+00 -4.29492e-01 0.00000e+00 0.00000e+00 1.06265e+02 187.256 8.26003e+01 187.256 0.8357 
1 1 1 11 29 11 o 19 5.18954e+01 2.25326e+01 1.88571e+01 96.535  -1.85321e-01 1.61780e+00  0.00000e+00 0.00000e+00 3.34031e+01 96.535  1.45460e+01 96.535  0.6263 
1 1 1 11 29 12 o 18 4.06142e+01 1.93042e+01 3.14176e+01 280.127 4.65722e-01  -2.60744e+00 0.00000e+00 0.00000e+00 1.98316e+01 280.127 1.15860e+01 100.127 0.7802 
1 1 1 11 29 13 o 14 4.49814e+01 2.08253e+01 1.83971e+01 198.920 -1.58576e+00 -5.43534e-01 0.00000e+00 0.00000e+00 2.82203e+01 198.920 9.82320e+00 198.920 0.6368 
1 1 1 11 29 14 o 1  5.59804e+01 2.41827e+01 3.16591e+01 99.715  -4.82540e-01 2.81852e+00  0.00000e+00 0.00000e+00 4.16359e+01 99.715  9.97682e+00 99.715  0.7990 
1 1 1 11 30 0  o 11 4.22878e+01 2.83377e+01 8.99376e+00 90.000  2.04362e-17  3.33749e-01  0.00000e+00 0.00000e+00 1.29133e+01 90.000  3.91950e+00 90.000  0.3219 
1 1 1 11 30 1  o 4  6.50377e+01 2.68025e+01 3.28246e+01 289.086 8.46173e-01  -2.44549e+00 0.00000e+00 0.00000e+00 4.82346e+01 289.086 1.54100e+01 289.086 0.7742 
1 1 1 11 30 2  o 18 6.28427e+01 2.74197e+01 2.08176e+01 189.712 -1.51244e+00 -2.58857e-01 0.00000e+00 0.00000e+00 4.03860e+01 189.712 1.95684e+01 189.712 0.6045 
1 1 1 11 30 3  o 10 4.20075e+01 2.02480e+01 2.47078e+01 74.223  4.88258e-01  1.72808e+00  0.00000e+00 0.00000e+00 2.00965e+01 74.223  4.61129e+00 254.223 0.6612 
1 1 1 11 30 4  o 12 7.32200e+01 2.79539e+01 2.47972e+01 46.118  1.43154e+00  1.48851e+00  0.00000e+00 0.00000e+00 5.89943e+01 46.118  3.41971e+01 46.118  0.7082 
1 1 1 11 30 5  o 18 6.01517e+01 2.56823e+01 1.73793e+01 160.297 -1.36861e+00 4.90115e-01  0.00000e+00 0.00000e+00 3.95616e+01 160.297 2.21824e+01 160.297 0.5845 
1 1 1 11 30 6  o 10 6.19513e+01 2.61498e+01 3.90164e+01 223.806 -2.35460e+00 -2.25847e+00 0.00000e+00 0.00000e+00 4.42593e+01 223.806 5.24290e+00 223.806 0.8277 
1 1 1 11 30 7  o 6  4.96997e+01 2.29000e+01 1.95196e+01 315.070 1.11301e+00  -1.11028e+00 0.00000e+00 0.00000e+00 3.01594e+01 315.070 1.06398e+01 315.070 0.6135 
1 1 1 11 30 8  o 9  4.94739e+01 2.29041e+01 3.10350e+00 277.056 3.11095e-02  -2.51326e-01 0.00000e+00 0.00000e+00 7.06140e+00 277.056 3.95791e+00 277.056 0.1256 
1 1 1 11 30 9  o 2  4.66369e+01 2.11567e+01 8.04325e+00 67.031  2.75918e-01  6.51009e-01  0.00000e+00 0.00000e+00 1.74771e+01 67.031  9.43389e+00 67.031  0.3331 
1 1 1 11 30 10 o 6  4.65962e+01 2.10378e+01 7.29543e+00 57.013  3.67256e-01  5.65802e-01  0.00000e+00 0.00000e+00 1.72718e+01 57.013  9.97632e+00 57.013  0.3194 
1 1 1 11 30 11 o 14 5.04062e+01 2.20387e+01 1.48242e+01 176.559 -1.37773e+00 8.28520e-02  0.00000e+00 0.00000e+00 3.24394e+01 176.559 1.76152e+01 176.559 0.5651 
1 1 1 11 31 0  o 6  3.50419e+01 2.45341e+01 1.84027e+01 270.000 -4.64374e-17 -7.58381e-01 0.00000e+00 0.00000e+00 1.88915e+01 270.000 4.88781e-01 270.000 0.6401 
1 1 1 11 31 1  o 9  5.49374e+01 2.44135e+01 1.59831e+00 322.238 1.03512e-01  -8.01832e-02 0.00000e+00 0.00000e+00 4.37021e+00 322.238 2.77189e+00 322.238 0.0653 
1 1 1 11 31 2  o 12 4.43584e+01 2.12477e+01 1.55777e+00 8.273   1.24140e-01  1.80504e-02  0.00000e+00 0.00000e+00 3.06366e+00 8.273   1.50589e+00 8.273   0.0626 
1 1 1 11 31 3  o 3  7.04175e+01 2.78973e+01 2.82319e+01 9.388   2.42486e+00  4.00925e-01  0.00000e+00 0.00000e+00 6.09869e+01 9.388   3.27549e+01 9.388   0.7603 
1 1 1 11 31 4  o 16 5.74772e+01 2.54218e+01 4.53736e+00 12.509  3.63649e-01  8.06776e-02  0.00000e+00 0.00000e+00 1.30297e+01 12.509  8.49233e+00 12.509  0.1831 
1 1 1 11 31 5  o 7  6.13664e+01 2.63241e+01 2.30049e+01 182.344 -1.90412e+00 -7.79579e-02 0.00000e+00 0.00000e+00 4.69843e+01 182.344 2.39794e+01 182.344 0.6817 
1 1 1 11 31 6  o 13 4.41712e+01 2.11884e+01 7.69446e+00 131.035 -4.34534e-01 4.99262e-01  0.00000e+00 0.00000e+00 1.55793e+01 131.035 7.88489e+00 131.035 0.3140 
1 1 1 11 31 7  o 9  4.54221e+01 2.15661e+01 1.10018e+01 81.010  1.47950e-01  9.35209e-01  0.00000e+00 0.00000e+00 2.16639e+01 81.010  1.06622e+01 81.010  0.4272 
1 1 1 11 31 8  o 9  4.85017e+01 2.26649e+01 2.34754e+01 179.239 -1.99451e+00 2.65051e-02  0.00000e+00 0.00000e+00 3.36367e+01 179.239 1.01613e+01 179.239 0.6969 
1 1 1 12 0  2  o 1  5.29727e+02 2.87759e+01 3.28267e+02 180.000 -1.14362e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.68761e+02 180.000 1.59507e+02 0.000   1.0000 
1 1 1 12 0  3  o 3  8.36645e+02 3.92078e+01 4.12138e+02 90.000  1.34948e-15  2.20387e+01  0.00000e+00 0.00000e+00 3.73852e+02 90.000  3.82863e+01 270.000 1.0000 
1 1 1 12 0  4  o 15 3.79211e+02 2.47576e+01 3.54330e+02 0.000   9.34396e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.55186e+00 0.000   3.51778e+02 180.000 1.0000 
1 1 1 12 0  6  o 3  3.84136e+01 2.44076e+01 1.65634e+02 180.000 -5.14025e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.48445e+02 0.000   3.14079e+02 0.000   0.4731 
1 1 1 12 0  7  o 19 2.53963e+02 2.38091e+01 6.68863e+01 270.000 -8.27094e-17 -1.35075e+00 0.00000e+00 0.00000e+00 1.43808e+02 270.000 7.69213e+01 270.000 0.8742 
1 1 1 12 0  8  o 2  5.29158e+02 2.03163e+01 2.57881e+02 180.000 -1.01472e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.46183e+02 180.000 1.16984e+01 0.000   1.0000 
1 1 1 12 0  9  o 3  3.60462e+02 1.75291e+01 1.26965e+02 270.000 -2.03248e-16 -3.31929e+00 0.00000e+00 0.00000e+00 2.16976e+02 270.000 9.00111e+01 270.000 0.9974 
1 1 1 12 0  10 o 8  3.97489e+01 2.42040e+01 9.96443e+01 0.000   3.00286e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.85035e+01 180.000 1.88148e+02 180.000 0.2916 
1 1 1 12 0  11 o 2  7.41323e+02 2.50651e+01 2.71195e+02 90.000  6.89519e-16  1.12607e+01  0.00000e+00 0.00000e+00 4.45195e+02 90.000  1.74000e+02 90.000  1.0000 
1 1 1 12 0  12 o 9  2.69732e+02 1.77819e+01 1.31525e+02 180.000 -2.16511e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.23838e+02 180.000 7.68697e+00 0.000   0.9740 
1 1 1 12 0  13 o 18 3.79859e+02 1.85560e+01 1.48270e+02 270.000 -2.55116e-16 -4.16636e+00 0.00000e+00 0.00000e+00 2.23105e+02 270.000 7.48346e+01 270.000 0.9995 
1 1 1 12 0  14 o 9  3.76805e+01 2.44560e+01 1.82666e+01 0.000   4.79489e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.64886e+01 180.000 3.47552e+01 180.000 0.0479 
1 1 1 12 0  15 o 19 7.93640e+01 3.40671e+01 5.49649e+01 270.000 -1.80902e-17 -2.95435e-01 0.00000e+00 0.00000e+00 3.23584e+01 90.000  8.73233e+01 90.000  0.2871 
1 1 1 12 0  16 o 12 2.11673e+02 2.12674e+01 1.24537e+02 180.000 -2.53826e+00 0.00000e+00  0.00000e+00 0.00000e+00 8.44750e+01 180.000 4.00619e+01 0.000   0.9876 
1 1 1 12 0  17 o 2  2.25831e+02 2.13321e+01 1.06075e+02 90.000  1.79382e-16  2.92954e+00  0.00000e+00 0.00000e+00 1.20309e+02 90.000  1.42340e+01 90.000  0.9943 
1 1 1 12 0  18 o 12 1.22984e+02 3.35871e+01 5.04589e+01 180.000 -6.61106e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.19809e+01 180.000 2.84780e+01 0.000   0.5791 
1 1 1 12 0  19 o 14 2.05000e+02 2.46130e+01 1.78942e+00 90.000  2.87427e-18  4.69404e-02  0.00000e+00 0.00000e+00 8.08269e+00 90.000  6.29327e+00 90.000  0.0469 
1 1 1 12 0  20 f 0  2.25736e+02 2.45776e+01 4.52396e+01 0.000   1.77135e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.75642e+02 0.000   1.30402e+02 0.000   0.9438 
1 1 1 12 0  21 f 0  4.73512e+01 3.07025e+01 1.35218e+01 270.000 -6.17190e-18 -1.00795e-01 0.00000e+00 0.00000e+00 8.53881e+00 90.000  2.20606e+01 90.000  0.1005 
1 1 1 12 0  22 o 12 1.33287e+02 4.31768e+01 5.46853e+01 180.000 -1.46825e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.22439e+01 180.000 1.75586e+01 180.000 0.8992 
1 1 1 12 0  23 o 11 1.81644e+02 3.47459e+01 3.56595e+01 270.000 -7.92136e-17 -1.29366e+00 0.00000e+00 0.00000e+00 1.31676e+02 270.000 9.60160e+01 270.000 0.8601 
1 1 1 12 0  24 o 13 7.58799e+01 4.74810e+01 3.18558e+01 180.000 -5.40136e-01 0.00000e+00  0.00000e+00 0.00000e+00 8.69756e+00 180.000 2.31583e+01 0.000   0.4931 
1 1 1 12 0  25 o 4  1.45938e+02 3.91947e+01 5.03483e+01 90.000  1.32699e-16  2.16714e+00  0.00000e+00 0.00000e+00 1.05650e+02 90.000  5.53018e+01 90.000  0.9741 
1 1 1 12 0  26 o 1  1.10335e+02 5.86544e+01 6.24521e+01 0.000   1.75878e+00  0.00000e+00  0.00000e+00 0.00000e+00 5.31215e+01 0.000   9.33063e+00 180.000 0.9424 
1 1 1 12 0  27 o 12 1.19636e+02 5.08554e+01 4.59741e+01 270.000 -1.17236e-16 -1.91461e+00 0.00000e+00 0.00000e+00 8.30636e+01 270.000 3.70895e+01 270.000 0.9575 
1 1 1 12 0  28 o 17 4.69249e+01 3.16020e+01 1.02228e+01 180.000 -2.54327e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.12241e+00 180.000 7.10035e+00 0.000   0.2490 
1 1 1 12 0  29 o 2  6.38959e+01 3.86596e+01 1.86434e+01 90.000  3.88973e-17  6.35242e-01  0.00000e+00 0.00000e+00 2.29414e+01 90.000  4.29802e+00 90.000  0.5617 
1 1 1 12 0  30 o 17 4.91900e+01 3.27535e+01 1.50175e+00 180.000 -4.86547e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.31090e+00 180.000 1.90848e-01 0.000   0.0486 
1 1 1 12 0  31 o 13 1.24319e+02 4.78394e+01 5.87838e+01 90.000  2.19912e-16  3.59144e+00  0.00000e+00 0.00000e+00 8.94735e+01 90.000  3.06897e+01 90.000  0.9985 
1 1 1 12 0  32 o 3  5.11117e+01 3.41606e+01 1.42104e+01 180.000 -6.11396e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.95994e+01 180.000 5.38901e+00 180.000 0.5451 
1 1 1 12 1  1  o 3  1.31997e+02 2.59978e+01 5.38893e+01 186.300 -9.17752e-01 -1.01319e-01 0.00000e+00 0.00000e+00 2.06229e+00 6.300   5.59516e+01 6.300   0.4186 
1 1 1 12 1  2  o 2  1.66052e+02 2.36993e+01 7.57605e+01 20.403  1.53475e+00  5.70873e-01  0.00000e+00 0.00000e+00 2.21862e+01 20.403  5.35743e+01 200.403 0.6283 
1 1 1 12 1  3  o 16 3.26381e+02 1.64897e+01 2.04112e+02 353.688 8.71228e+00  -9.63724e-01 0.00000e+00 0.00000e+00 8.46031e+01 353.688 1.19508e+02 173.688 0.9411 
1 1 1 12 1  4  o 8  1.07373e+02 2.00092e+01 7.40366e+01 74.347  2.96096e-01  1.05669e+00  0.00000e+00 0.00000e+00 2.55231e+01 254.347 9.95596e+01 254.347 0.4798 
1 1 1 12 1  6  o 17 2.63065e+02 2.37416e+01 1.72242e+02 213.838 -5.95246e+00 -3.99054e+00 0.00000e+00 0.00000e+00 5.86281e+01 213.838 1.13614e+02 33.838  0.9273 
1 1 1 12 1  7  o 17 2.64339e+02 2.34821e+01 1.33264e+02 141.430 -4.28808e+00 3.41950e+00  0.00000e+00 0.00000e+00 9.35085e+01 141.430 3.97559e+01 321.430 0.9035 
1 1 1 12 1  8  o 4  4.92359e+02 1.60365e+01 2.12528e+02 57.118  8.40838e+00  1.30064e+01  0.00000e+00 0.00000e+00 2.41319e+02 57.118  2.87909e+01 57.118  0.9672 
1 1 1 12 1  9  o 11 1.76166e+02 1.24105e+01 5.03845e+01 185.450 -1.28017e+00 -1.22142e-01 0.00000e+00 0.00000e+00 4.04372e+01 185.450 9.94730e+00 5.450   0.5386 
1 1 1 12 1  10 o 8  4.56373e+02 1.33545e+01 1.86011e+02 287.190 3.83198e+00  -1.23868e+01 0.00000e+00 0.00000e+00 2.35637e+02 287.190 4.96265e+01 287.190 0.9606 
1 1 1 12 1  11 o 16 5.86089e+02 1.51780e+01 1.48440e+02 43.764  7.06305e+00  6.76462e+00  0.00000e+00 0.00000e+00 3.88436e+02 43.764  2.39996e+02 43.764  0.9474 
1 1 1 12 1  12 o 12 5.65027e+02 1.50018e+01 1.82791e+02 76.988  2.82443e+00  1.22220e+01  0.00000e+00 0.00000e+00 3.44323e+02 76.988  1.61532e+02 76.988  0.9593 
1 1 1 12 1  13 o 3  6.32583e+02 1.61486e+01 2.12160e+02 316.964 1.44073e+01  -1.34520e+01 0.00000e+00 0.00000e+00 3.91008e+02 316.964 1.78848e+02 316.964 0.9743 
1 1 1 12 1  14 o 16 6.31663e+02 1.61965e+01 2.29979e+02 196.256 -1.94627e+01 -5.67507e+00 0.00000e+00 0.00000e+00 3.76876e+02 196.256 1.46897e+02 196.256 0.9750 
1 1 1 12 1  15 o 13 2.42761e+02 1.35798e+01 9.01267e+01 187.921 -3.01302e+00 -4.19238e-01 0.00000e+00 0.00000e+00 1.05784e+02 187.921 1.56570e+01 187.921 0.8130 
1 1 1 12 1  16 o 12 6.10261e+02 1.61859e+01 1.51449e+02 340.937 1.67519e+01  -5.78873e+00 0.00000e+00 0.00000e+00 4.41555e+02 340.937 2.90106e+02 340.937 0.9714 
1 1 1 12 1  17 o 11 5.09631e+02 1.52615e+01 1.70917e+02 88.738  4.68707e-01  2.12702e+01  0.00000e+00 0.00000e+00 3.30931e+02 88.738  1.60014e+02 88.738  0.9762 
1 1 1 12 1  18 o 10 4.87857e+01 2.13837e+01 6.48361e+01 63.346  3.05673e-01  6.08979e-01  0.00000e+00 0.00000e+00 4.88327e+01 243.346 1.13669e+02 243.346 0.3223 
1 1 1 12 1  19 f 0  2.29641e+02 1.61479e+01 6.66693e+01 326.513 3.28404e+00  -2.17259e+00 0.00000e+00 0.00000e+00 1.36450e+02 326.513 6.97807e+01 326.513 0.8611 
1 1 1 12 1  20 o 13 3.72257e+02 1.56082e+01 1.12526e+02 274.793 1.22648e+00  -1.46264e+01 0.00000e+00 0.00000e+00 2.60243e+02 274.793 1.47717e+02 274.793 0.9653 
1 1 1 12 1  21 o 2  7.13920e+01 2.72567e+01 6.83087e+00 247.849 -5.53833e-02 -1.36045e-01 0.00000e+00 0.00000e+00 1.34997e+00 67.849  8.18084e+00 67.849  0.0732 
1 1 1 12 1  22 o 14 8.17437e+01 2.94817e+01 2.79496e+01 71.560  2.94976e-01  8.84670e-01  0.00000e+00 0.00000e+00 8.59944e+00 71.560  1.93501e+01 251.560 0.4220 
1 1 1 12 1  23 o 16 1.29512e+02 3.28694e+01 3.37930e+01 146.540 -1.32292e+00 8.74290e-01  0.00000e+00 0.00000e+00 5.17894e+01 146.540 1.79965e+01 146.540 0.6166 
1 1 1 12 1  24 o 7  7.35032e+01 3.32773e+01 7.38470e+01 166.464 -2.36887e+00 5.70272e-01  0.00000e+00 0.00000e+00 1.34339e+01 346.464 8.72809e+01 346.464 0.7579 
1 1 1 12 1  25 o 3  6.43760e+01 2.70913e+01 2.04758e+01 69.174  2.79431e-01  7.34607e-01  0.00000e+00 0.00000e+00 5.35478e+00 69.174  1.51210e+01 249.174 0.3655 
1 1 1 12 1  26 o 1  5.49282e+01 2.46321e+01 1.89823e+01 359.584 7.77757e-01  -5.64900e-03 0.00000e+00 0.00000e+00 3.14166e+00 359.584 1.58406e+01 179.584 0.3622 
1 1 1 12 1  27 o 5  6.47500e+01 2.79544e+01 4.18598e+01 281.804 4.82746e-01  -2.30995e+00 0.00000e+00 0.00000e+00 1.27911e+01 281.804 2.90687e+01 101.804 0.7489 
1 1 1 12 1  28 o 13 5.83086e+01 2.62494e+01 2.46095e+01 242.407 -6.31952e-01 -1.20916e+00 0.00000e+00 0.00000e+00 1.27584e+01 242.407 1.18511e+01 62.407  0.5608 
1 1 1 12 1  29 o 2  9.43134e+01 3.07434e+01 2.77416e+01 90.759  -3.29397e-02 2.48535e+00  0.00000e+00 0.00000e+00 5.57346e+01 90.759  2.79930e+01 90.759  0.7634 
1 1 1 12 1  30 o 10 6.48415e+01 2.80383e+01 5.04341e+01 20.487  3.38008e+00  1.26286e+00  0.00000e+00 0.00000e+00 1.41615e+01 20.487  3.62726e+01 200.487 0.8466 
1 1 1 12 1  31 o 18 7.39325e+01 2.98599e+01 2.05365e+01 309.499 1.11412e+00  -1.35157e+00 0.00000e+00 0.00000e+00 3.71081e+01 309.499 1.65716e+01 309.499 0.6525 
1 1 1 12 1  32 o 4  4.15403e+01 2.05642e+01 1.01238e+01 168.532 -8.29787e-01 1.68343e-01  0.00000e+00 0.00000e+00 9.51811e+00 168.532 6.05725e-01 348.532 0.3894 
1 1 1 12 2  1  o 2  1.54266e+02 2.43441e+01 9.52649e+01 288.917 6.19012e-01  -1.80624e+00 0.00000e+00 0.00000e+00 3.63180e+00 288.917 9.16331e+01 108.917 0.6823 
1 1 1 12 2  2  o 5  3.42707e+02 1.67702e+01 1.46198e+02 69.350  2.33022e+00  6.18306e+00  0.00000e+00 0.00000e+00 1.50542e+02 69.350  4.34378e+00 69.350  0.9209 
1 1 1 12 2  3  o 6  2.96289e+02 1.61998e+01 1.21695e+02 16.019  4.54388e+00  1.30453e+00  0.00000e+00 0.00000e+00 1.25632e+02 16.019  3.93765e+00 16.019  0.8867 
1 1 1 12 2  4  o 14 3.58092e+02 2.42337e+01 2.28415e+02 149.645 -9.58782e+00 5.61494e+00  0.00000e+00 0.00000e+00 9.37351e+01 149.645 1.34680e+02 329.645 0.9539 
1 1 1 12 2  6  o 2  2.00952e+02 2.42544e+01 1.93999e+02 268.775 -1.31048e-01 -6.12973e+00 0.00000e+00 0.00000e+00 1.98324e+01 88.775  2.13832e+02 88.775  0.9144 
1 1 1 12 2  7  o 17 5.29379e+02 2.03943e+01 2.75676e+02 9.549   2.13859e+01  3.59749e+00  0.00000e+00 0.00000e+00 2.16019e+02 9.549   5.96577e+01 189.549 0.9767 
1 1 1 12 2  8  o 9  5.37532e+02 1.66646e+01 2.12255e+02 30.810  1.44308e+01  8.60593e+00  0.00000e+00 0.00000e+00 2.85366e+02 30.810  7.31110e+01 30.810  0.9698 
1 1 1 12 2  9  o 19 3.04146e+02 1.18491e+01 1.53016e+02 193.532 -6.53898e+00 -1.57373e+00 0.00000e+00 0.00000e+00 1.15926e+02 193.532 3.70900e+01 13.532  0.9223 
1 1 1 12 2  10 o 12 4.93311e+02 1.38940e+01 2.33866e+02 168.026 -1.71624e+01 3.63969e+00  0.00000e+00 0.00000e+00 2.27600e+02 168.026 6.26615e+00 348.026 0.9711 
1 1 1 12 2  11 o 17 3.03563e+02 1.23709e+01 1.93387e+01 235.736 -3.71938e-01 -5.45978e-01 0.00000e+00 0.00000e+00 7.28281e+01 235.736 5.34894e+01 235.736 0.3135 
1 1 1 12 2  12 o 7  4.85810e+02 1.39851e+01 2.23593e+02 274.824 1.10807e+00  -1.31299e+01 0.00000e+00 0.00000e+00 2.31291e+02 274.824 7.69785e+00 274.824 0.9613 
1 1 1 12 2  13 o 8  8.23432e+01 2.05751e+01 6.35996e+01 354.448 6.96411e-01  -6.76937e-02 0.00000e+00 0.00000e+00 3.69598e+01 174.448 1.00559e+02 174.448 0.3300 
1 1 1 12 2  14 o 4  6.36938e+02 1.63440e+01 2.43881e+02 160.137 -2.03284e+01 7.34392e+00  0.00000e+00 0.00000e+00 3.70008e+02 160.137 1.26127e+02 160.137 0.9766 
1 1 1 12 2  15 o 9  4.02224e+02 1.63605e+01 1.40942e+02 93.510  -5.81131e-01 9.47546e+00  0.00000e+00 0.00000e+00 2.37248e+02 93.510  9.63065e+01 93.510  0.9458 
1 1 1 12 2  16 o 12 3.92855e+02 1.39711e+01 1.12528e+02 62.478  3.93362e+00  7.54943e+00  0.00000e+00 0.00000e+00 2.57202e+02 62.478  1.44674e+02 62.478  0.9393 
1 1 1 12 2  17 o 2  1.19653e+02 2.10450e+01 1.02821e+02 279.084 4.61484e-01  -2.88644e+00 0.00000e+00 0.00000e+00 5.60896e+00 99.084  1.08430e+02 99.084  0.8041 
1 1 1 12 2  18 o 1  1.57109e+02 1.80912e+01 5.65700e+01 358.159 2.22402e+00  -7.14782e-02 0.00000e+00 0.00000e+00 6.05722e+01 358.159 4.00220e+00 358.159 0.7315 
1 1 1 12 2  22 o 14 1.62563e+02 2.38222e+01 7.32796e+01 74.613  1.37832e+00  5.00840e+00  0.00000e+00 0.00000e+00 8.15948e+01 74.613  8.31524e+00 74.613  0.8977 
1 1 1 12 2  23 o 11 7.62825e+01 3.12089e+01 3.40966e+01 98.124  -1.35809e-01 9.51394e-01  0.00000e+00 0.00000e+00 1.30936e+00 98.124  3.27872e+01 278.124 0.4324 
1 1 1 12 2  24 o 16 1.47431e+02 2.90432e+01 5.44399e+01 95.403  -3.92885e-01 4.15372e+00  0.00000e+00 0.00000e+00 8.48514e+01 95.403  3.04115e+01 95.403  0.8698 
1 1 1 12 2  25 o 4  9.01404e+01 3.81217e+01 9.73472e+01 4.807   4.21511e+00  3.54442e-01  0.00000e+00 0.00000e+00 1.09279e+01 184.807 1.08275e+02 184.807 0.8718 
1 1 1 12 2  26 o 3  1.50589e+02 3.47912e+01 1.27658e+02 280.268 2.13546e+00  -1.17880e+01 0.00000e+00 0.00000e+00 3.29239e+01 280.268 9.47341e+01 100.268 0.9573 
1 1 1 12 2  27 o 5  8.93818e+01 3.13799e+01 6.75562e+01 144.777 -3.90109e+00 2.75422e+00  0.00000e+00 0.00000e+00 2.20357e+01 144.777 4.55205e+01 324.777 0.8879 
1 1 1 12 2  28 o 9  1.01804e+02 3.29210e+01 6.21809e+01 127.263 -2.99743e+00 3.94001e+00  0.00000e+00 0.00000e+00 4.17913e+01 127.263 2.03896e+01 307.263 0.8922 
1 1 1 12 2  29 o 8  1.01813e+02 3.09215e+01 5.61131e+01 295.428 2.31396e+00  -4.86694e+00 0.00000e+00 0.00000e+00 5.04925e+01 295.428 5.62066e+00 115.428 0.9017 
1 1 1 12 2  30 o 10 4.71646e+01 2.25671e+01 4.34553e+01 93.912  -1.87933e-01 2.74821e+00  0.00000e+00 0.00000e+00 4.65092e-01 93.912  4.29902e+01 273.912 0.7901 
1 1 1 12 2  31 o 10 5.09071e+01 2.42189e+01 1.65157e+00 151.689 -1.08026e-01 5.81936e-02  0.00000e+00 0.00000e+00 2.07967e+00 151.689 4.28102e-01 151.689 0.0612 
1 1 1 12 2  32 o 10 8.63933e+01 3.20272e+01 4.44396e+01 268.646 -1.05019e-01 -4.44387e+00 0.00000e+00 0.00000e+00 4.78775e+01 268.646 3.43793e+00 268.646 0.8787 
1 1 1 12 3  0  o 3  2.61910e+02 2.34363e+01 4.32271e+01 180.000 -7.45878e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.12841e+02 180.000 6.96134e+01 180.000 0.6327 
1 1 1 12 3  1  o 16 1.03935e+02 2.63620e+01 1.38558e+02 352.564 1.83120e+00  -2.38992e-01 0.00000e+00 0.00000e+00 7.28644e+01 172.564 2.11422e+02 172.564 0.6709 
1 1 1 12 3  2  o 6  2.87556e+02 2.30479e+01 8.21344e+01 4.414   3.03731e+00  2.34477e-01  0.00000e+00 0.00000e+00 1.38369e+02 4.414   5.62343e+01 4.414   0.8134 
1 1 1 12 3  3  o 18 1.28090e+02 1.73827e+01 6.43906e+01 139.769 -8.73774e-01 7.39217e-01  0.00000e+00 0.00000e+00 4.50700e+00 319.769 6.88976e+01 319.769 0.4953 
1 1 1 12 3  4  o 17 2.94174e+02 2.31065e+01 9.22941e+01 120.987 -1.89277e+00 3.15168e+00  0.00000e+00 0.00000e+00 1.44110e+02 120.987 5.18156e+01 120.987 0.8498 
1 1 1 12 3  5  o 1  4.55030e+02 2.72500e+01 1.51791e+02 302.880 5.87562e+00  -9.08928e+00 0.00000e+00 0.00000e+00 2.59048e+02 302.880 1.07258e+02 302.880 0.9526 
1 1 1 12 3  6  o 14 2.56642e+02 2.38836e+01 1.59048e+02 283.256 1.46476e+00  -6.21782e+00 0.00000e+00 0.00000e+00 6.48680e+01 283.256 9.41804e+01 103.256 0.9180 
1 1 1 12 3  7  o 15 2.41897e+02 1.70420e+01 1.12036e+02 115.338 -1.72828e+00 3.64990e+00  0.00000e+00 0.00000e+00 8.74813e+01 115.338 2.45542e+01 295.338 0.8650 
1 1 1 12 3  9  o 5  2.31545e+02 1.18551e+01 1.38524e+02 14.424  4.46357e+00  1.14807e+00  0.00000e+00 0.00000e+00 5.81112e+01 14.424  8.04128e+01 194.424 0.8834 
1 1 1 12 3  10 o 17 7.85030e+02 1.83526e+01 3.01690e+02 26.142  3.18215e+01  1.56182e+01  0.00000e+00 0.00000e+00 4.45788e+02 26.142  1.44098e+02 26.142  0.9858 
1 1 1 12 3  11 o 9  6.48406e+02 1.61532e+01 2.07591e+02 92.757  -7.20633e-01 1.49636e+01  0.00000e+00 0.00000e+00 4.00631e+02 92.757  1.93040e+02 92.757  0.9660 
1 1 1 12 3  12 o 13 2.74392e+02 1.23610e+01 1.02017e+02 304.112 2.36641e+00  -3.49358e+00 0.00000e+00 0.00000e+00 1.31526e+02 304.112 2.95089e+01 304.112 0.8715 
1 1 1 12 3  13 o 14 6.61986e+02 1.66661e+01 2.62479e+02 182.882 -2.33010e+01 -1.17309e+00 0.00000e+00 0.00000e+00 3.74048e+02 182.882 1.11569e+02 182.882 0.9783 
1 1 1 12 3  14 o 5  3.09067e+02 1.30691e+01 1.18806e+02 210.762 -4.40047e+00 -2.61926e+00 0.00000e+00 0.00000e+00 1.55261e+02 210.762 3.64545e+01 210.762 0.8961 
1 1 1 12 3  15 o 2  1.14284e+03 2.52619e+01 3.60244e+02 16.533  6.38598e+01  1.89566e+01  0.00000e+00 0.00000e+00 7.70379e+02 16.533  4.10135e+02 16.533  0.9925 
1 1 1 12 3  16 o 14 1.77902e+02 1.59569e+01 8.74442e+01 127.079 -1.78913e+00 2.36741e+00  0.00000e+00 0.00000e+00 5.68870e+01 127.079 3.05572e+01 307.079 0.8075 
1 1 1 12 3  17 o 19 3.43188e+02 1.42671e+01 9.26298e+01 316.577 5.62843e+00  -5.32682e+00 0.00000e+00 0.00000e+00 2.31757e+02 316.577 1.39127e+02 316.577 0.9331 
1 1 1 12 3  18 f 0  6.11894e+01 2.42608e+01 2.46890e+01 184.138 -3.63915e-01 -2.63253e-02 0.00000e+00 0.00000e+00 1.34660e+01 4.138   3.81550e+01 4.138   0.1795 
1 1 1 12 3  20 o 1  1.28561e+02 2.40761e+01 5.34586e+01 142.178 -1.75854e+00 1.36516e+00  0.00000e+00 0.00000e+00 4.45326e+01 142.178 8.92607e+00 322.178 0.7316 
1 1 1 12 3  21 o 6  2.12176e+02 3.88621e+01 8.52442e+01 43.386  4.25568e+00  4.02241e+00  0.00000e+00 0.00000e+00 1.18009e+02 43.386  3.27649e+01 43.386  0.9101 
1 1 1 12 3  22 o 4  2.07085e+02 5.75265e+01 7.91786e+01 352.913 4.33076e+00  -5.38447e-01 0.00000e+00 0.00000e+00 1.13899e+02 352.913 3.47205e+01 352.913 0.8762 
1 1 1 12 3  23 o 8  8.09101e+01 3.17169e+01 1.34987e+01 345.253 3.86987e-01  -1.01865e-01 0.00000e+00 0.00000e+00 3.58478e+00 345.253 9.91387e+00 165.253 0.1962 
1 1 1 12 3  24 o 16 1.12281e+02 2.87107e+01 2.38123e+01 87.387  6.35906e-02  1.39327e+00  0.00000e+00 0.00000e+00 4.57673e+01 87.387  2.19551e+01 87.387  0.5690 
1 1 1 12 3  25 o 16 7.59316e+01 3.43639e+01 6.87161e+01 260.239 -4.58743e-01 -2.66662e+00 0.00000e+00 0.00000e+00 2.93943e+00 80.239  7.16555e+01 80.239  0.7856 
1 1 1 12 3  26 o 5  7.06425e+01 2.87384e+01 3.87588e+01 309.283 1.24452e+00  -1.52143e+00 0.00000e+00 0.00000e+00 1.58432e+01 309.283 2.29156e+01 129.283 0.6920 
1 1 1 12 3  27 o 10 1.24914e+02 2.81822e+01 6.33557e+01 108.526 -2.11216e+00 6.30316e+00  0.00000e+00 0.00000e+00 6.69193e+01 108.526 3.56358e+00 108.526 0.9214 
1 1 1 12 3  28 o 4  6.49198e+01 2.79692e+01 1.97756e+01 286.614 3.31320e-01  -1.11039e+00 0.00000e+00 0.00000e+00 1.74662e+01 286.614 2.30935e+00 106.614 0.4998 
1 1 1 12 3  29 o 17 6.87973e+01 2.85156e+01 2.51853e+01 44.707  1.25818e+00  1.24540e+00  0.00000e+00 0.00000e+00 2.73797e+01 44.707  2.19439e+00 44.707  0.6562 
1 1 1 12 3  30 o 6  5.79328e+01 2.59046e+01 1.82031e+01 193.771 -1.21833e+00 -2.98592e-01 0.00000e+00 0.00000e+00 1.80356e+01 193.771 1.67463e-01 13.771  0.5293 
1 1 1 12 3  31 o 9  7.96390e+01 3.10200e+01 8.85977e+00 239.497 -4.33417e-01 -7.35709e-01 0.00000e+00 0.00000e+00 2.86281e+01 239.497 1.97684e+01 239.497 0.3922 
1 1 1 12 3  32 o 19 4.87824e+01 2.35032e+01 1.19116e+01 214.617 -8.59477e-01 -5.93291e-01 0.00000e+00 0.00000e+00 1.55624e+01 214.617 3.65085e+00 214.617 0.4619 
1 1 1 12 4  0  o 15 4.76869e+01 2.77797e+01 6.42127e+01 180.000 -2.11913e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.47999e+01 0.000   1.19013e+02 0.000   0.2088 
1 1 1 12 4  1  o 8  4.46408e+02 2.64449e+01 3.22765e+02 163.460 -1.87081e+01 5.55587e+00  0.00000e+00 0.00000e+00 8.83954e+01 163.460 2.34369e+02 343.460 0.9740 
1 1 1 12 4  2  o 14 2.46360e+02 2.26103e+01 1.31435e+02 80.177  7.54281e-01  4.35642e+00  0.00000e+00 0.00000e+00 7.32483e+01 80.177  5.81872e+01 260.177 0.8780 
1 1 1 12 4  3  o 17 3.05478e+02 1.63155e+01 7.58246e+01 255.804 -7.82746e-01 -3.09424e+00 0.00000e+00 0.00000e+00 1.62448e+02 255.804 8.66238e+01 255.804 0.8232 
1 1 1 12 4  4  o 2  3.60967e+02 2.43907e+01 1.83651e+02 225.669 -7.35980e+00 -7.53372e+00 0.00000e+00 0.00000e+00 1.42276e+02 225.669 4.13749e+01 45.669  0.9513 
1 1 1 12 4  5  o 17 1.14003e+02 2.05821e+01 5.80432e+01 297.652 4.88520e-01  -9.32399e-01 0.00000e+00 0.00000e+00 7.64132e+00 117.652 6.56845e+01 117.652 0.4647 
1 1 1 12 4  6  f 0  4.49259e+02 2.70044e+01 1.32188e+02 22.343  7.99833e+00  3.28735e+00  0.00000e+00 0.00000e+00 2.70794e+02 22.343  1.38606e+02 22.343  0.9403 
1 1 1 12 4  7  o 16 3.20384e+02 1.71069e+01 1.06835e+02 270.230 2.02847e-02  -5.05670e+00 0.00000e+00 0.00000e+00 1.67513e+02 270.230 6.06778e+01 270.230 0.8947 
1 1 1 12 4  8  o 9  9.39145e+02 2.45975e+01 3.45691e+02 205.872 -4.11628e+01 -1.99624e+01 0.00000e+00 0.00000e+00 5.46664e+02 205.872 2.00973e+02 205.872 0.9890 
1 1 1 12 4  9  o 1  4.27658e+02 1.85136e+01 1.25012e+02 36.926  6.48515e+00  4.87377e+00  0.00000e+00 0.00000e+00 2.61281e+02 36.926  1.36269e+02 36.926  0.9362 
1 1 1 12 4  10 o 3  7.00599e+02 1.97557e+01 2.97230e+02 13.420  2.27467e+01  5.42757e+00  0.00000e+00 0.00000e+00 3.67315e+02 13.420  7.00858e+01 13.420  0.9784 
1 1 1 12 4  11 o 1  6.38947e+02 1.84657e+01 3.34132e+02 277.310 3.30834e+00  -2.57908e+01 0.00000e+00 0.00000e+00 2.76521e+02 277.310 5.76112e+01 97.310  0.9806 
1 1 1 12 4  12 o 9  1.36157e+02 1.50554e+01 8.78057e+01 111.678 -6.57645e-01 1.65447e+00  0.00000e+00 0.00000e+00 4.91489e-02 111.678 8.77565e+01 291.678 0.6582 
1 1 1 12 4  13 o 16 4.26311e+02 1.34339e+01 1.92905e+02 121.900 -5.83554e+00 9.37506e+00  0.00000e+00 0.00000e+00 2.08138e+02 121.900 1.52329e+01 121.900 0.9536 
1 1 1 12 4  14 o 19 1.26952e+02 1.73958e+01 6.49149e+01 315.693 8.25037e-01  -8.05325e-01 0.00000e+00 0.00000e+00 2.12461e+00 135.693 6.70395e+01 135.693 0.4980 
1 1 1 12 4  15 o 3  4.52205e+01 1.96636e+01 4.50245e+01 223.709 -2.41723e-01 -2.31066e-01 0.00000e+00 0.00000e+00 3.75633e+01 43.709  8.25878e+01 43.709  0.1649 
1 1 1 12 4  16 o 1  1.76653e+02 2.13629e+01 1.12103e+02 248.674 -1.49506e+00 -3.82955e+00 0.00000e+00 0.00000e+00 4.24592e+01 248.674 6.96438e+01 68.674  0.8677 
1 1 1 12 4  17 o 13 3.00667e+02 1.44479e+01 1.24904e+02 39.571  6.52212e+00  5.38994e+00  0.00000e+00 0.00000e+00 1.62142e+02 39.571  3.72374e+01 39.571  0.9389 
1 1 1 12 4  18 o 5  3.41014e+02 1.47837e+01 9.04570e+01 237.754 -4.14696e+00 -6.57365e+00 0.00000e+00 0.00000e+00 2.36020e+02 237.754 1.45563e+02 237.754 0.9333 
1 1 1 12 4  19 o 10 1.29473e+02 2.22501e+01 2.11825e+01 253.685 -2.42351e-01 -8.27947e-01 0.00000e+00 0.00000e+00 3.18570e+01 253.685 1.06745e+01 253.685 0.3956 
1 1 1 12 4  21 o 1  1.04402e+02 2.78858e+01 4.70811e+01 51.156  1.13665e+00  1.41147e+00  0.00000e+00 0.00000e+00 2.62069e+01 51.156  2.08742e+01 231.156 0.6644 
1 1 1 12 4  22 o 11 1.65303e+02 2.88945e+01 1.00431e+02 274.352 5.36663e-01  -7.05148e+00 0.00000e+00 0.00000e+00 6.31179e+01 274.352 3.73129e+01 94.352  0.9263 
1 1 1 12 4  23 o 18 7.66350e+01 3.09055e+01 6.53660e+01 239.468 -9.89714e-01 -1.67804e+00 0.00000e+00 0.00000e+00 8.32005e+00 59.468  7.36860e+01 59.468  0.6891 
1 1 1 12 4  24 o 8  9.55364e+01 3.30448e+01 6.72357e+01 320.769 2.40546e+00  -1.96403e+00 0.00000e+00 0.00000e+00 1.81387e+01 320.769 4.90970e+01 140.769 0.8175 
1 1 1 12 4  25 o 11 8.59945e+01 3.25660e+01 1.60786e+01 296.103 3.62104e-01  -7.39046e-01 0.00000e+00 0.00000e+00 2.01042e+01 296.103 4.02564e+00 296.103 0.3802 
1 1 1 12 4  26 o 1  1.69636e+02 2.46163e+01 1.11275e+02 106.356 -4.17537e+00 1.42271e+01  0.00000e+00 0.00000e+00 7.23689e+01 106.356 3.89058e+01 286.356 0.9657 
1 1 1 12 4  27 f 0  1.08585e+02 3.02251e+01 6.70680e+01 131.450 -3.82272e+00 4.32842e+00  0.00000e+00 0.00000e+00 4.50388e+01 131.450 2.20292e+01 311.450 0.9087 
1 1 1 12 4  28 o 12 9.91258e+01 3.17030e+01 5.65899e+01 278.153 6.56194e-01  -4.58037e+00 0.00000e+00 0.00000e+00 4.43524e+01 278.153 1.22375e+01 98.153  0.8840 
1 1 1 12 4  29 f 0  7.84383e+01 3.08555e+01 1.36583e+01 349.322 1.08670e+00  -2.04906e-01 0.00000e+00 0.00000e+00 3.05855e+01 349.322 1.69272e+01 349.322 0.4826 
1 1 1 12 4  30 o 18 7.59743e+01 2.99198e+01 8.30894e+00 285.918 1.88002e-01  -6.59217e-01 0.00000e+00 0.00000e+00 2.08974e+01 285.918 1.25884e+01 285.918 0.3241 
1 1 1 12 4  31 f 0  6.10963e+01 2.71682e+01 3.41404e+01 263.247 -3.53593e-01 -2.98629e+00 0.00000e+00 0.00000e+00 2.55105e+01 263.247 8.62995e+00 83.247  0.8105 
1 1 1 12 4  32 o 4  5.05733e+01 2.41576e+01 1.45408e+01 119.571 -6.29159e-01 1.10883e+00  0.00000e+00 0.00000e+00 1.85963e+01 119.571 4.05554e+00 119.571 0.5354 
1 1 1 12 5  0  o 12 6.23181e+02 3.18520e+01 2.86570e+02 0.000   1.21160e+01  0.00000e+00  0.00000e+00 0.00000e+00 3.05392e+02 0.000   1.88214e+01 0.000   1.0000 
1 1 1 12 5  1  o 3  2.67984e+02 2.28808e+01 1.86130e+02 38.059  5.31645e+00  4.16245e+00  0.00000e+00 0.00000e+00 4.87998e+01 38.059  1.37330e+02 218.059 0.9227 
1 1 1 12 5  2  o 1  4.32060e+02 2.59197e+01 1.74287e+02 135.022 -7.11442e+00 7.10890e+00  0.00000e+00 0.00000e+00 2.15550e+02 135.022 4.12634e+01 135.022 0.9489 
1 1 1 12 5  3  o 1  1.20284e+02 1.90540e+01 8.79129e+01 149.354 -1.46761e+00 8.69517e-01  0.00000e+00 0.00000e+00 1.42716e+01 329.354 1.02185e+02 329.354 0.6431 
1 1 1 12 5  4  o 17 1.21033e+02 2.59238e+01 6.40829e+01 9.444   1.19492e+00  1.98756e-01  0.00000e+00 0.00000e+00 4.48608e+00 189.444 6.85689e+01 189.444 0.5163 
1 1 1 12 5  6  o 19 5.82053e+02 3.08045e+01 1.96964e+02 164.320 -1.56627e+01 4.39654e+00  0.00000e+00 0.00000e+00 3.43542e+02 164.320 1.46578e+02 164.320 0.9688 
1 1 1 12 5  7  o 3  7.92593e+02 2.65247e+01 3.25963e+02 100.637 -6.72520e+00 3.58091e+01  0.00000e+00 0.00000e+00 4.25750e+02 100.637 9.97871e+01 100.637 0.9862 
1 1 1 12 5  8  o 8  3.56056e+02 1.75021e+01 1.91366e+02 347.336 1.02146e+01  -2.29512e+00 0.00000e+00 0.00000e+00 1.35504e+02 347.336 5.58621e+01 167.337 0.9510 
1 1 1 12 5  9  o 9  2.56428e+02 1.37453e+01 1.51210e+02 36.547  4.73354e+00  3.50869e+00  0.00000e+00 0.00000e+00 7.51852e+01 36.547  7.60246e+01 216.547 0.9106 
1 1 1 12 5  10 o 1  3.78779e+02 1.26634e+01 9.32072e+01 197.330 -3.79663e+00 -1.18470e+00 0.00000e+00 0.00000e+00 2.25099e+02 197.330 1.31892e+02 197.330 0.8626 
1 1 1 12 5  11 o 7  5.06133e+02 1.41410e+01 2.73851e+02 252.093 -5.18760e+00 -1.60543e+01 0.00000e+00 0.00000e+00 2.06901e+02 252.093 6.69502e+01 72.093  0.9699 
1 1 1 12 5  12 o 12 6.93343e+02 1.70280e+01 2.77919e+02 218.442 -2.04587e+01 -1.62396e+01 0.00000e+00 0.00000e+00 3.91842e+02 218.442 1.13924e+02 218.442 0.9807 
1 1 1 12 5  13 o 16 4.17043e+02 1.52198e+01 1.41244e+02 6.962   8.21821e+00  1.00358e+00  0.00000e+00 0.00000e+00 2.46320e+02 6.962   1.05076e+02 6.962   0.9375 
1 1 1 12 5  14 o 9  1.09839e+03 3.47186e+01 4.18879e+02 30.652  5.17246e+01  3.06536e+01  0.00000e+00 0.00000e+00 6.68192e+02 30.652  2.49312e+02 30.652  0.9916 
1 1 1 12 5  15 o 11 2.73526e+02 1.34923e+01 1.48297e+02 84.811  7.14958e-01  7.87353e+00  0.00000e+00 0.00000e+00 1.08664e+02 84.811  3.96327e+01 264.811 0.9344 
1 1 1 12 5  16 o 4  5.17648e+02 1.73618e+01 1.95086e+02 184.904 -2.10944e+01 -1.80973e+00 0.00000e+00 0.00000e+00 3.16880e+02 184.904 1.21794e+02 184.904 0.9761 
1 1 1 12 5  17 o 19 2.44502e+02 1.48370e+01 1.24235e+02 220.656 -5.15399e+00 -4.42621e+00 0.00000e+00 0.00000e+00 1.06379e+02 220.656 1.78569e+01 40.656  0.9232 
1 1 1 12 5  18 o 12 9.17725e+01 2.62353e+01 4.37595e+01 251.530 -3.13248e-01 -9.37841e-01 0.00000e+00 0.00000e+00 1.91026e+00 71.530  4.56698e+01 71.530  0.4424 
1 1 1 12 5  19 o 10 2.58566e+02 2.14057e+01 7.37538e+01 29.881  5.64548e+00  3.24384e+00  0.00000e+00 0.00000e+00 1.73647e+02 29.881  9.98929e+01 29.881  0.9196 
1 1 1 12 5  21 o 14 1.72230e+02 2.04076e+01 2.04760e+01 154.259 -1.28397e+00 6.19068e-01  0.00000e+00 0.00000e+00 8.50533e+01 154.259 6.45773e+01 154.259 0.5771 
1 1 1 12 5  22 o 19 1.60393e+02 2.94888e+01 9.76111e+01 141.005 -5.12225e+00 4.14723e+00  0.00000e+00 0.00000e+00 6.08673e+01 141.005 3.67438e+01 321.005 0.9207 
1 1 1 12 5  23 o 5  9.15683e+01 2.92065e+01 3.54232e+01 170.063 -1.26519e+00 2.21650e-01  0.00000e+00 0.00000e+00 1.80670e+01 170.063 1.73563e+01 350.063 0.5382 
1 1 1 12 5  24 f 0  1.03591e+02 2.82284e+01 5.03844e+01 282.030 6.00092e-01  -2.81604e+00 0.00000e+00 0.00000e+00 4.07172e+01 282.030 9.66722e+00 102.030 0.8006 
1 1 1 12 5  25 o 10 1.14387e+02 4.67404e+01 8.01243e+01 34.879  3.25378e+00  2.26808e+00  0.00000e+00 0.00000e+00 2.95536e+01 34.879  5.05707e+01 214.879 0.8622 
1 1 1 12 5  26 o 15 8.83945e+01 3.46651e+01 3.39232e+01 87.312  9.63534e-02  2.05205e+00  0.00000e+00 0.00000e+00 3.64241e+01 87.312  2.50088e+00 87.312  0.7065 
1 1 1 12 5  27 o 13 1.37387e+02 2.69149e+01 4.55506e+01 254.672 -1.49808e+00 -5.46571e+00 0.00000e+00 0.00000e+00 9.66831e+01 254.672 5.11325e+01 254.672 0.9069 
1 1 1 12 5  28 o 15 4.19958e+01 2.06042e+01 1.79964e+01 137.138 -6.29455e-01 5.84151e-01  0.00000e+00 0.00000e+00 1.16233e+00 137.138 1.68341e+01 317.138 0.3941 
1 1 1 12 5  29 o 17 6.85539e+01 2.90043e+01 2.10270e+01 134.333 -1.11073e+00 1.13690e+00  0.00000e+00 0.00000e+00 2.86819e+01 134.333 7.65495e+00 134.333 0.6175 
1 1 1 12 5  30 o 3  7.94951e+01 3.02588e+01 2.14005e+01 278.989 2.83995e-01  -1.79529e+00 0.00000e+00 0.00000e+00 4.16500e+01 278.989 2.02495e+01 278.989 0.6654 
1 1 1 12 5  31 o 1  5.79400e+01 2.62985e+01 1.77092e+01 90.058  -1.55505e-03 1.53650e+00  0.00000e+00 0.00000e+00 2.47215e+01 90.058  7.01225e+00 90.058  0.6050 
1 1 1 12 5  32 o 19 6.02575e+01 2.70323e+01 1.56652e+01 64.443  6.40723e-01  1.33987e+00  0.00000e+00 0.00000e+00 2.82372e+01 64.443  1.25719e+01 64.443  0.5924 
1 1 1 12 6  0  o 3  5.43411e+02 2.92667e+01 2.77668e+02 180.000 -1.20823e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.41556e+02 180.000 3.61113e+01 0.000   1.0000 
1 1 1 12 6  1  o 17 7.30254e+01 2.17374e+01 2.82385e+01 172.410 -3.25830e-01 4.34164e-02  0.00000e+00 0.00000e+00 1.69200e+01 352.410 4.51585e+01 352.410 0.1622 
1 1 1 12 6  2  o 2  4.63286e+02 2.67722e+01 2.28844e+02 321.217 1.28843e+01  -1.03529e+01 0.00000e+00 0.00000e+00 2.00647e+02 321.217 2.81972e+01 141.217 0.9693 
1 1 1 12 6  4  f 0  1.75774e+02 1.71808e+01 7.70314e+01 224.290 -1.45633e+00 -1.42070e+00 0.00000e+00 0.00000e+00 4.15762e+01 224.290 3.54552e+01 44.290  0.7034 
1 1 1 12 6  5  o 19 3.57282e+02 1.73158e+01 1.70494e+02 354.021 8.99810e+00  -9.42467e-01 0.00000e+00 0.00000e+00 1.53463e+02 354.021 1.70304e+01 174.021 0.9430 
1 1 1 12 6  6  o 5  3.32086e+02 2.44585e+01 2.25355e+02 146.673 -8.90714e+00 5.85697e+00  0.00000e+00 0.00000e+00 7.94334e+01 146.673 1.45922e+02 326.673 0.9519 
1 1 1 12 6  7  o 8  4.69284e+02 1.91732e+01 1.91824e+02 135.476 -9.14605e+00 8.99543e+00  0.00000e+00 0.00000e+00 2.44077e+02 135.476 5.22533e+01 135.476 0.9602 
1 1 1 12 6  8  o 14 5.94645e+02 2.17251e+01 3.64857e+02 18.992  3.07642e+01  1.05882e+01  0.00000e+00 0.00000e+00 2.03621e+02 18.992  1.61237e+02 198.992 0.9845 
1 1 1 12 6  9  o 18 6.30547e+02 1.83767e+01 2.57309e+02 307.861 1.12164e+01  -1.44284e+01 0.00000e+00 0.00000e+00 3.40538e+02 307.861 8.32296e+01 307.861 0.9722 
1 1 1 12 6  10 o 4  9.61946e+02 2.49995e+01 4.27150e+02 254.546 -1.31446e+01 -4.75466e+01 0.00000e+00 0.00000e+00 5.05850e+02 254.546 7.86998e+01 254.546 0.9898 
1 1 1 12 6  11 o 4  3.93602e+02 1.47619e+01 1.76843e+02 122.877 -5.65670e+00 8.75171e+00  0.00000e+00 0.00000e+00 1.91791e+02 122.877 1.49479e+01 122.877 0.9507 
1 1 1 12 6  12 o 14 2.27413e+02 1.42642e+01 1.27282e+02 138.732 -2.93651e+00 2.57685e+00  0.00000e+00 0.00000e+00 6.64631e+01 138.732 6.08187e+01 318.732 0.8598 
1 1 1 12 6  13 o 11 6.27889e+02 1.61036e+01 2.71374e+02 269.045 -4.01709e-01 -2.41079e+01 0.00000e+00 0.00000e+00 3.41565e+02 269.045 7.01914e+01 269.045 0.9790 
1 1 1 12 6  14 o 11 4.48588e+01 1.95488e+01 2.70210e+01 119.124 -9.78846e-02 1.75688e-01  0.00000e+00 0.00000e+00 2.25153e+01 299.124 4.95363e+01 299.124 0.1001 
1 1 1 12 6  15 o 11 4.71415e+02 1.44414e+01 2.08258e+02 86.641  1.10906e+00  1.88947e+01  0.00000e+00 0.00000e+00 2.55701e+02 86.641  4.74427e+01 86.641  0.9732 
1 1 1 12 6  16 o 13 1.83964e+02 1.60724e+01 1.00586e+02 354.458 4.49382e+00  -4.35991e-01 0.00000e+00 0.00000e+00 6.45555e+01 354.458 3.60306e+01 174.458 0.8808 
1 1 1 12 6  17 o 19 2.45478e+02 2.06040e+01 1.45376e+02 301.807 4.67724e+00  -7.54164e+00 0.00000e+00 0.00000e+00 9.22373e+01 301.807 5.31387e+01 121.807 0.9418 
1 1 1 12 6  18 o 8  1.22712e+02 2.28391e+01 6.07378e+01 195.422 -1.79540e+00 -4.95286e-01 0.00000e+00 0.00000e+00 2.49971e+01 195.422 3.57407e+01 15.422  0.6738 
1 1 1 12 6  19 o 17 2.64827e+02 1.62341e+01 8.07921e+01 110.209 -2.59810e+00 7.05808e+00  0.00000e+00 0.00000e+00 1.77221e+02 110.209 9.64285e+01 110.209 0.9309 
1 1 1 12 6  20 o 14 4.69660e+01 2.17873e+01 2.30414e+01 260.888 -5.43076e-02 -3.38618e-01 0.00000e+00 0.00000e+00 1.46525e+01 80.888  3.76940e+01 80.888  0.1690 
1 1 1 12 6  22 o 5  9.58124e+01 3.21649e+01 5.07622e+01 346.815 1.74389e+00  -4.08547e-01 0.00000e+00 0.00000e+00 1.75349e+01 346.815 3.32273e+01 166.815 0.6603 
1 1 1 12 6  23 o 5  1.67912e+02 2.10368e+01 6.91893e+01 43.522  4.55471e+00  4.32553e+00  0.00000e+00 0.00000e+00 9.88403e+01 43.522  2.96510e+01 43.522  0.9165 
1 1 1 12 6  24 o 4  6.45796e+01 2.69347e+01 2.78662e+01 70.828  3.31870e-01  9.54523e-01  0.00000e+00 0.00000e+00 4.25081e+00 70.828  2.36154e+01 250.828 0.4501 
1 1 1 12 6  25 o 1  1.01104e+02 3.03022e+01 5.98276e+01 181.677 -4.02136e+00 -1.17703e-01 0.00000e+00 0.00000e+00 3.79323e+01 181.677 2.18953e+01 1.677   0.8644 
1 1 1 12 6  26 o 17 5.80801e+01 2.70578e+01 4.08227e+01 274.747 1.76233e-01  -2.12238e+00 0.00000e+00 0.00000e+00 6.42602e+00 274.747 3.43967e+01 94.747  0.7180 
1 1 1 12 6  27 o 14 8.30337e+01 3.04006e+01 4.10455e+01 334.939 2.52452e+00  -1.18046e+00 0.00000e+00 0.00000e+00 3.45579e+01 334.939 6.48757e+00 154.939 0.7929 
1 1 1 12 6  28 o 9  6.79565e+01 2.83718e+01 2.15657e+01 57.441  7.42604e-01  1.16301e+00  0.00000e+00 0.00000e+00 2.31410e+01 57.441  1.57532e+00 57.441  0.5650 
1 1 1 12 6  29 o 3  1.05398e+02 3.24190e+01 3.17986e+01 175.273 -3.17436e+00 2.62488e-01  0.00000e+00 0.00000e+00 7.06377e+01 175.273 3.88391e+01 175.273 0.8228 
1 1 1 12 6  30 o 1  5.69422e+01 2.60204e+01 5.66062e+00 320.722 3.45243e-01  -2.82361e-01 0.00000e+00 0.00000e+00 9.19723e+00 320.722 3.53662e+00 320.722 0.2176 
1 1 1 12 6  31 o 1  4.18475e+01 2.07028e+01 7.00218e+00 21.305  5.29892e-01  2.06645e-01  0.00000e+00 0.00000e+00 6.93099e+00 21.305  7.11847e-02 201.305 0.2735 
1 1 1 12 6  32 o 4  5.85279e+01 2.67437e+01 1.96030e+01 146.800 -1.52700e+00 9.99248e-01  0.00000e+00 0.00000e+00 2.86743e+01 146.800 9.07131e+00 146.800 0.6668 
1 1 1 12 7  0  o 19 9.92724e+01 3.28554e+01 3.41090e+01 180.000 -2.51038e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.06228e+01 0.000   4.47318e+01 0.000   0.2459 
1 1 1 12 7  1  o 17 5.68261e+02 2.10693e+01 2.37353e+02 167.343 -1.96229e+01 4.40679e+00  0.00000e+00 0.00000e+00 2.95755e+02 167.343 5.84019e+01 167.343 0.9748 
1 1 1 12 7  2  o 17 1.98103e+02 2.30203e+01 1.33120e+02 278.131 5.50680e-01  -3.85442e+00 0.00000e+00 0.00000e+00 3.08298e+01 278.131 1.02290e+02 98.131  0.8593 
1 1 1 12 7  4  o 16 2.13697e+02 1.67509e+01 1.26022e+02 143.019 -3.18577e+00 2.39896e+00  0.00000e+00 0.00000e+00 5.21456e+01 143.019 7.38762e+01 323.019 0.8631 
1 1 1 12 7  5  o 3  6.51851e+02 2.30815e+01 3.30847e+02 111.830 -1.14541e+01 2.85938e+01  0.00000e+00 0.00000e+00 2.89957e+02 111.830 4.08905e+01 291.830 0.9836 
1 1 1 12 7  6  o 8  9.08582e+01 2.43712e+01 8.06161e+01 111.059 -3.69530e-01 9.59706e-01  0.00000e+00 0.00000e+00 4.03583e+01 291.059 1.20974e+02 291.059 0.4564 
1 1 1 12 7  7  o 14 5.79771e+02 2.13875e+01 2.80162e+02 337.499 2.25946e+01  -9.35923e+00 0.00000e+00 0.00000e+00 2.72922e+02 337.499 7.23966e+00 157.499 0.9793 
1 1 1 12 7  8  o 8  1.83523e+02 1.76612e+01 1.20465e+02 296.440 1.11631e+00  -2.24482e+00 0.00000e+00 0.00000e+00 1.69481e+01 296.440 1.03517e+02 116.440 0.7658 
1 1 1 12 7  9  o 10 2.15390e+02 1.43433e+01 1.33166e+02 190.652 -3.49560e+00 -6.57472e-01 0.00000e+00 0.00000e+00 4.53532e+01 190.652 8.78132e+01 10.652  0.8440 
1 1 1 12 7  10 o 3  4.58386e+02 1.36552e+01 1.35284e+02 209.943 -8.13889e+00 -4.68816e+00 0.00000e+00 0.00000e+00 2.92207e+02 209.943 1.56923e+02 209.943 0.9452 
1 1 1 12 7  11 o 15 5.37153e+02 1.46765e+01 1.38658e+02 192.864 -9.90161e+00 -2.26130e+00 0.00000e+00 0.00000e+00 3.67216e+02 192.864 2.28557e+02 192.864 0.9494 
1 1 1 12 7  12 o 2  6.46424e+02 1.63526e+01 1.79652e+02 1.494   1.63264e+01  4.25671e-01  0.00000e+00 0.00000e+00 4.45228e+02 1.494   2.65576e+02 1.494   0.9689 
1 1 1 12 7  13 o 6  6.79560e+02 1.69323e+01 2.89906e+02 61.649  1.30702e+01  2.42219e+01  0.00000e+00 0.00000e+00 3.79878e+02 61.649  8.99727e+01 61.649  0.9817 
1 1 1 12 7  14 o 12 1.56632e+02 1.59400e+01 1.43627e+02 166.347 -4.25938e+00 1.03466e+00  0.00000e+00 0.00000e+00 4.79714e+00 346.347 1.48424e+02 346.347 0.8768 
1 1 1 12 7  15 o 18 7.10696e+02 1.77413e+01 2.64907e+02 228.079 -2.65491e+01 -2.95681e+01 0.00000e+00 0.00000e+00 4.49634e+02 228.079 1.84728e+02 228.079 0.9873 
1 1 1 12 7  16 o 6  2.82048e+02 1.45204e+01 6.92408e+01 208.935 -3.86398e+00 -2.13609e+00 0.00000e+00 0.00000e+00 1.84847e+02 208.935 1.15606e+02 208.935 0.8778 
1 1 1 12 7  17 o 2  4.67443e+02 1.72897e+01 1.87210e+02 10.871  2.15424e+01  4.13726e+00  0.00000e+00 0.00000e+00 2.85376e+02 10.871  9.81666e+01 10.871  0.9769 
1 1 1 12 7  18 o 8  2.51290e+02 1.59951e+01 9.22358e+01 270.271 3.61047e-02  -7.63654e+00 0.00000e+00 0.00000e+00 1.52288e+02 270.271 6.00521e+01 270.271 0.9320 
1 1 1 12 7  19 o 18 1.59416e+02 2.06690e+01 5.92200e+01 222.804 -2.31151e+00 -2.14081e+00 0.00000e+00 0.00000e+00 7.86275e+01 222.804 1.94075e+01 222.804 0.8205 
1 1 1 12 7  20 o 4  1.97268e+02 4.87042e+01 1.24543e+02 72.992  2.02941e+00  6.63452e+00  0.00000e+00 0.00000e+00 6.96189e+01 72.992  5.49243e+01 252.992 0.9248 
1 1 1 12 7  21 o 6  1.75951e+02 2.49634e+01 7.69461e+01 117.883 -2.73406e+00 5.16751e+00  0.00000e+00 0.00000e+00 9.52094e+01 117.883 1.82633e+01 117.883 0.9099 
1 1 1 12 7  22 o 16 1.87610e+02 1.99299e+01 6.87717e+01 292.134 2.03910e+00  -5.01320e+00 0.00000e+00 0.00000e+00 1.15208e+02 292.134 4.64367e+01 292.134 0.9021 
1 1 1 12 7  23 o 13 1.06677e+02 2.76170e+01 2.14959e+01 350.953 1.20937e+00  -1.92553e-01 0.00000e+00 0.00000e+00 3.95315e+01 350.953 1.80355e+01 350.953 0.5203 
1 1 1 12 7  24 o 14 4.62011e+01 2.18880e+01 3.74820e+01 70.456  3.78702e-01  1.06680e+00  0.00000e+00 0.00000e+00 1.22329e+01 250.456 4.97149e+01 250.456 0.4912 
1 1 1 12 7  25 o 12 1.47910e+02 2.55728e+01 5.45100e+01 225.886 -4.35374e+00 -4.49045e+00 0.00000e+00 0.00000e+00 9.81218e+01 225.886 4.36118e+01 225.886 0.9161 
1 1 1 12 7  26 o 18 7.33351e+01 3.14004e+01 3.40278e+01 197.322 -1.88602e+00 -5.88222e-01 0.00000e+00 0.00000e+00 2.40184e+01 197.322 1.00094e+01 17.322  0.6937 
1 1 1 12 7  27 o 8  1.07805e+02 2.98544e+01 3.23073e+01 54.316  1.74271e+00  2.42668e+00  0.00000e+00 0.00000e+00 6.85481e+01 54.316  3.62409e+01 54.316  0.8091 
1 1 1 12 7  28 o 12 6.85381e+01 2.85488e+01 1.97272e+01 158.309 -1.28669e+00 5.11802e-01  0.00000e+00 0.00000e+00 2.57815e+01 158.309 6.05429e+00 158.309 0.5663 
1 1 1 12 7  29 o 9  8.00462e+01 3.03808e+01 1.31510e+01 236.906 -5.82342e-01 -8.93507e-01 0.00000e+00 0.00000e+00 3.15469e+01 236.906 1.83959e+01 236.906 0.4695 
1 1 1 12 7  30 o 16 5.28080e+01 2.49748e+01 2.50786e+01 3.536   1.87179e+00  1.15678e-01  0.00000e+00 0.00000e+00 1.80318e+01 3.536   7.04682e+00 183.536 0.6762 
1 1 1 12 7  31 o 1  4.91324e+01 2.35439e+01 1.30581e+01 330.491 9.68504e-01  -5.48158e-01 0.00000e+00 0.00000e+00 1.61534e+01 330.491 3.09530e+00 330.491 0.4850 
1 1 1 12 7  32 o 17 5.02768e+01 2.40867e+01 1.48493e+01 206.459 -1.22319e+00 -6.08766e-01 0.00000e+00 0.00000e+00 2.03026e+01 206.459 5.45329e+00 206.459 0.5613 
1 1 1 12 8  0  o 2  6.13388e+01 3.16737e+01 2.80010e+01 0.000   1.24488e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.06333e+01 180.000 4.86343e+01 180.000 0.1238 
1 1 1 12 8  1  o 4  3.84060e+02 1.75449e+01 1.65754e+02 351.532 9.24217e+00  -1.37604e+00 0.00000e+00 0.00000e+00 1.86285e+02 351.532 2.05307e+01 351.532 0.9449 
1 1 1 12 8  4  o 9  2.64387e+02 1.68196e+01 1.26176e+02 155.009 -4.36637e+00 2.03522e+00  0.00000e+00 0.00000e+00 1.02693e+02 155.009 2.34835e+01 335.009 0.8890 
1 1 1 12 8  5  o 8  7.31124e+02 2.49477e+01 3.02022e+02 137.591 -2.45213e+01 2.23978e+01  0.00000e+00 0.00000e+00 4.00724e+02 137.591 9.87023e+01 137.591 0.9848 
1 1 1 12 8  6  o 14 2.56434e+02 1.67904e+01 7.22857e+01 320.171 2.16823e+00  -1.80836e+00 0.00000e+00 0.00000e+00 1.27496e+02 320.171 5.52107e+01 320.171 0.7960 
1 1 1 12 8  7  o 8  4.41270e+02 1.87470e+01 2.47672e+02 341.206 1.17182e+01  -3.98787e+00 0.00000e+00 0.00000e+00 1.67732e+02 341.206 7.99404e+01 161.206 0.9587 
1 1 1 12 8  8  o 18 5.55932e+01 2.27896e+01 1.17705e+02 290.909 2.85057e-01  -7.46140e-01 0.00000e+00 0.00000e+00 9.73995e+01 110.909 2.15104e+02 110.909 0.3706 
1 1 1 12 8  9  o 14 3.08407e+02 1.77021e+01 1.79068e+02 246.839 -3.27617e+00 -7.65842e+00 0.00000e+00 0.00000e+00 1.07259e+02 246.839 7.18091e+01 66.839  0.9379 
1 1 1 12 8  10 o 3  5.09748e+02 1.65248e+01 2.39252e+02 105.279 -4.39721e+00 1.60968e+01  0.00000e+00 0.00000e+00 2.52323e+02 105.279 1.30711e+01 105.279 0.9696 
1 1 1 12 8  11 o 14 4.71309e+02 1.38846e+01 1.50303e+02 218.187 -7.94339e+00 -6.24781e+00 0.00000e+00 0.00000e+00 2.97003e+02 218.187 1.46700e+02 218.187 0.9492 
1 1 1 12 8  12 f 0  6.52026e+02 1.64299e+01 2.03833e+02 285.191 4.92317e+00  -1.81313e+01 0.00000e+00 0.00000e+00 4.34230e+02 285.191 2.30397e+02 285.191 0.9730 
1 1 1 12 8  13 o 17 6.58919e+02 1.66855e+01 2.42396e+02 75.350  6.77286e+00  2.59092e+01  0.00000e+00 0.00000e+00 4.11916e+02 75.350  1.69520e+02 75.350  0.9811 
1 1 1 12 8  14 o 9  1.26938e+02 1.87055e+01 9.29843e+01 50.368  1.60392e+00  1.93657e+00  0.00000e+00 0.00000e+00 6.17170e+00 50.368  8.68125e+01 230.368 0.7666 
1 1 1 12 8  15 o 9  3.11712e+02 1.76440e+01 1.23865e+02 289.227 3.09838e+00  -8.88369e+00 0.00000e+00 0.00000e+00 1.78588e+02 289.227 5.47230e+01 289.227 0.9453 
1 1 1 12 8  16 o 4  3.20000e+02 1.62521e+01 1.56139e+02 227.110 -8.69280e+00 -9.35781e+00 0.00000e+00 0.00000e+00 1.61677e+02 227.110 5.53866e+00 227.110 0.9600 
1 1 1 12 8  17 o 18 2.25424e+02 1.62074e+01 8.58157e+01 154.647 -4.55752e+00 2.15950e+00  0.00000e+00 0.00000e+00 1.24504e+02 154.647 3.86883e+01 154.647 0.8944 
1 1 1 12 8  18 o 4  1.07525e+02 2.49942e+01 1.30607e+01 20.721  4.36590e-01  1.65155e-01  0.00000e+00 0.00000e+00 1.26564e+01 20.721  4.04242e-01 200.721 0.2273 
1 1 1 12 8  19 o 18 1.26419e+02 2.38452e+01 5.17995e+01 201.124 -1.92420e+00 -7.43435e-01 0.00000e+00 0.00000e+00 4.32579e+01 201.124 8.54163e+00 21.125  0.7078 
1 1 1 12 8  20 o 3  5.96306e+01 2.50116e+01 1.86374e+01 357.234 4.31479e-01  -2.08468e-02 0.00000e+00 0.00000e+00 5.13270e+00 177.234 2.37701e+01 177.234 0.2111 
1 1 1 12 8  21 o 17 2.34991e+02 4.56917e+01 1.57202e+02 12.563  1.19216e+01  2.65674e+00  0.00000e+00 0.00000e+00 8.68539e+01 12.563  7.03483e+01 192.563 0.9581 
1 1 1 12 8  22 o 9  1.09321e+02 2.69386e+01 3.04705e+01 21.055  1.27382e+00  4.90383e-01  0.00000e+00 0.00000e+00 3.67238e+01 21.055  6.25335e+00 21.055  0.5609 
1 1 1 12 8  23 o 14 9.82385e+01 3.91483e+01 6.43925e+01 190.798 -2.81164e+00 -5.36241e-01 0.00000e+00 0.00000e+00 2.26275e+01 190.798 4.17650e+01 10.798  0.7993 
1 1 1 12 8  24 o 2  6.78056e+01 2.77024e+01 1.22973e+01 177.780 -5.50324e-01 2.13358e-02  0.00000e+00 0.00000e+00 7.88673e+00 177.780 4.41056e+00 357.780 0.2654 
1 1 1 12 8  25 o 10 4.85337e+01 2.27438e+01 3.58330e+01 259.466 -2.97933e-01 -1.60220e+00 0.00000e+00 0.00000e+00 1.30378e+00 79.466  3.71368e+01 79.466  0.6266 
1 1 1 12 8  26 o 7  6.12435e+01 2.79896e+01 5.19450e+01 55.258  1.53030e+00  2.20655e+00  0.00000e+00 0.00000e+00 3.25908e+00 55.258  4.86859e+01 235.258 0.7837 
1 1 1 12 8  27 o 4  6.50671e+01 2.91338e+01 2.04588e+01 128.726 -7.43039e-01 9.26617e-01  0.00000e+00 0.00000e+00 1.81424e+01 128.726 2.31633e+00 308.726 0.5090 
1 1 1 12 8  28 o 13 9.13827e+01 3.07992e+01 3.75625e+01 235.271 -2.02014e+00 -2.91433e+00 0.00000e+00 0.00000e+00 5.35351e+01 235.271 1.59727e+01 235.271 0.8435 
1 1 1 12 8  29 o 6  6.88696e+01 2.87875e+01 2.55342e+01 16.205  1.91503e+00  5.56537e-01  0.00000e+00 0.00000e+00 3.20057e+01 16.205  6.47149e+00 16.205  0.6968 
1 1 1 12 8  30 o 16 6.43202e+01 2.86682e+01 9.39455e+00 340.656 7.64400e-01  -2.68348e-01 0.00000e+00 0.00000e+00 1.99666e+01 340.656 1.05721e+01 340.656 0.3751 
1 1 1 12 8  31 o 2  8.42971e+01 3.22207e+01 2.28235e+01 193.952 -2.17566e+00 -5.40526e-01 0.00000e+00 0.00000e+00 5.36151e+01 193.952 3.07916e+01 193.952 0.7337 
1 1 1 12 9  0  o 3  7.44520e+02 3.57580e+01 1.82425e+02 180.000 -1.03030e+01 0.00000e+00  0.00000e+00 0.00000e+00 5.46230e+02 180.000 3.63805e+02 180.000 1.0000 
1 1 1 12 9  2  o 19 2.86515e+02 2.38111e+01 8.86848e+01 318.768 2.90141e+00  -2.54283e+00 0.00000e+00 0.00000e+00 1.52102e+02 318.768 6.34174e+01 318.768 0.8578 
1 1 1 12 9  3  o 5  2.83677e+02 2.46353e+01 1.59071e+02 136.751 -4.94744e+00 4.65390e+00  0.00000e+00 0.00000e+00 9.78036e+01 136.751 6.12678e+01 316.751 0.9231 
1 1 1 12 9  4  o 1  8.19670e+01 2.92281e+01 7.30545e+00 80.268  1.48464e-02  8.65678e-02  0.00000e+00 0.00000e+00 3.77167e+00 260.268 1.10771e+01 260.268 0.0439 
1 1 1 12 9  5  o 9  7.01889e+01 2.37090e+01 5.93136e+01 106.091 -1.30308e-01 4.51741e-01  0.00000e+00 0.00000e+00 4.34962e+01 286.091 1.02810e+02 286.091 0.2288 
1 1 1 12 9  6  o 18 3.31197e+02 1.41131e+01 1.64899e+02 41.653  4.64588e+00  4.13255e+00  0.00000e+00 0.00000e+00 1.34595e+02 41.653  3.03032e+01 221.653 0.9156 
1 1 1 12 9  7  o 10 3.75520e+02 1.78042e+01 1.48379e+02 99.118  -1.09005e+00 6.79159e+00  0.00000e+00 0.00000e+00 1.95486e+02 99.118  4.71071e+01 99.118  0.9241 
1 1 1 12 9  8  o 14 5.68132e+02 2.12944e+01 3.01980e+02 223.479 -1.86051e+01 -1.76424e+01 0.00000e+00 0.00000e+00 2.51961e+02 223.479 5.00197e+01 43.479  0.9803 
1 1 1 12 9  9  o 1  1.39595e+02 2.22455e+01 6.66935e+01 316.221 9.09017e-01  -8.71067e-01 0.00000e+00 0.00000e+00 7.30362e+00 316.221 5.93899e+01 136.221 0.5307 
1 1 1 12 9  10 o 4  4.29587e+02 1.91737e+01 9.30350e+01 180.209 -5.66128e+00 -2.06727e-02 0.00000e+00 0.00000e+00 2.97930e+02 180.209 2.04895e+02 180.209 0.9068 
1 1 1 12 9  11 o 18 5.39855e+02 1.48310e+01 1.39368e+02 323.030 8.58937e+00  -6.46561e+00 0.00000e+00 0.00000e+00 3.79365e+02 323.030 2.39997e+02 323.030 0.9523 
1 1 1 12 9  12 o 5  4.24612e+02 1.35555e+01 1.55477e+02 100.181 -1.98989e+00 1.10803e+01  0.00000e+00 0.00000e+00 2.55846e+02 100.181 1.00369e+02 100.181 0.9545 
1 1 1 12 9  13 o 18 5.22148e+02 1.49569e+01 1.58846e+02 178.738 -1.61873e+01 3.56568e-01  0.00000e+00 0.00000e+00 3.57686e+02 178.738 1.98840e+02 178.738 0.9686 
1 1 1 12 9  14 o 14 5.36349e+02 1.52872e+01 2.19294e+02 301.357 1.52337e+01  -2.49994e+01 0.00000e+00 0.00000e+00 3.22720e+02 301.357 1.03427e+02 301.357 0.9828 
1 1 1 12 9  15 o 9  2.64856e+02 1.48354e+01 4.74807e+01 116.808 -1.28445e+00 2.54191e+00  0.00000e+00 0.00000e+00 1.71471e+02 116.808 1.23990e+02 116.808 0.7981 
1 1 1 12 9  16 o 11 7.22505e+01 2.52709e+01 2.83384e+01 152.305 -4.55428e-01 2.39053e-01  0.00000e+00 0.00000e+00 9.55485e+00 332.305 3.78932e+01 332.305 0.2490 
1 1 1 12 9  17 o 4  2.78209e+02 1.75764e+01 9.18561e+01 200.245 -7.87275e+00 -2.90363e+00 0.00000e+00 0.00000e+00 1.82961e+02 200.245 9.11046e+01 200.245 0.9384 
1 1 1 12 9  18 o 16 3.85505e+02 1.70950e+01 1.29016e+02 100.802 -3.20895e+00 1.68183e+01  0.00000e+00 0.00000e+00 2.68254e+02 100.802 1.39238e+02 100.802 0.9703 
1 1 1 12 9  19 o 6  3.44830e+02 1.77868e+01 1.74048e+02 20.616  2.31374e+01  8.70396e+00  0.00000e+00 0.00000e+00 1.88043e+02 20.616  1.39943e+01 20.616  0.9796 
1 1 1 12 9  21 o 13 9.27184e+01 3.01666e+01 5.80725e+01 170.195 -2.00838e+00 3.47078e-01  0.00000e+00 0.00000e+00 1.33189e+01 170.195 4.47537e+01 350.195 0.7039 
1 1 1 12 9  22 o 4  5.63426e+01 2.44748e+01 1.78932e+01 5.764   5.20437e-01  5.25301e-02  0.00000e+00 0.00000e+00 2.13215e+00 185.764 2.00253e+01 185.764 0.2530 
1 1 1 12 9  23 o 2  1.51168e+02 2.24504e+01 5.40156e+01 215.335 -4.35583e+00 -3.08813e+00 0.00000e+00 0.00000e+00 9.82572e+01 215.335 4.42416e+01 215.335 0.9007 
1 1 1 12 9  24 o 11 6.81354e+01 2.81537e+01 1.25407e+01 198.437 -5.67268e-01 -1.89107e-01 0.00000e+00 0.00000e+00 9.54055e+00 198.437 3.00015e+00 18.437  0.2864 
1 1 1 12 9  25 o 6  8.72039e+01 2.96259e+01 2.22105e+01 79.777  2.87906e-01  1.59640e+00  0.00000e+00 0.00000e+00 4.02275e+01 79.777  1.80170e+01 79.777  0.6249 
1 1 1 12 9  26 o 4  6.71861e+01 2.77912e+01 3.12502e+01 133.297 -1.27121e+00 1.34911e+00  0.00000e+00 0.00000e+00 2.11666e+01 133.297 1.00836e+01 313.297 0.6722 
1 1 1 12 9  27 o 13 6.20221e+01 2.84076e+01 2.40040e+01 328.597 1.19773e+00  -7.31176e-01 0.00000e+00 0.00000e+00 1.76726e+01 328.597 6.33138e+00 148.597 0.5713 
1 1 1 12 9  28 o 14 5.70681e+01 2.56047e+01 1.73721e+01 334.407 1.09436e+00  -5.24155e-01 0.00000e+00 0.00000e+00 1.78100e+01 334.407 4.37965e-01 334.407 0.5169 
1 1 1 12 9  29 o 5  6.75854e+01 2.84611e+01 1.13742e+01 229.123 -6.26701e-01 -7.24072e-01 0.00000e+00 0.00000e+00 2.38835e+01 229.123 1.25093e+01 229.123 0.4312 
1 1 1 12 9  30 o 16 5.61098e+01 2.60520e+01 1.41959e+01 123.631 -6.60772e-01 9.93371e-01  0.00000e+00 0.00000e+00 2.09890e+01 123.631 6.79308e+00 123.631 0.5106 
1 1 1 12 9  31 o 11 4.59875e+01 2.24588e+01 9.74901e+00 184.872 -8.96443e-01 -7.64057e-02 0.00000e+00 0.00000e+00 1.37485e+01 184.872 3.99948e+00 184.872 0.4097 
1 1 1 12 10 0  o 8  6.80627e+02 3.34956e+01 2.26284e+02 0.000   8.76528e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.46622e+02 0.000   2.20338e+02 0.000   1.0000 
1 1 1 12 10 2  o 12 5.09906e+02 2.84921e+01 1.97786e+02 225.066 -7.95986e+00 -7.97810e+00 0.00000e+00 0.00000e+00 2.83908e+02 225.066 8.61216e+01 225.066 0.9545 
1 1 1 12 10 3  o 17 1.20041e+02 2.13586e+01 1.25744e+02 156.346 -1.56730e+00 6.86504e-01  0.00000e+00 0.00000e+00 4.91241e+01 336.346 1.74869e+02 336.346 0.6441 
1 1 1 12 10 4  o 3  1.92759e+02 2.61134e+01 1.14208e+02 104.413 -6.08734e-01 2.36863e+00  0.00000e+00 0.00000e+00 3.10112e+01 104.413 8.31965e+01 284.413 0.7589 
1 1 1 12 10 5  o 1  7.51617e+02 2.07096e+01 2.79094e+02 340.298 2.43754e+01  -8.72861e+00 0.00000e+00 0.00000e+00 4.54110e+02 340.298 1.75016e+02 340.298 0.9805 
1 1 1 12 10 6  o 4  4.79552e+02 1.58965e+01 2.30286e+02 2.028   1.69256e+01  5.99351e-01  0.00000e+00 0.00000e+00 2.33803e+02 2.028   3.51663e+00 2.028   0.9700 
1 1 1 12 10 7  o 3  6.63012e+02 2.33985e+01 2.48268e+02 183.055 -2.43273e+01 -1.29846e+00 0.00000e+00 0.00000e+00 4.01606e+02 183.055 1.53337e+02 183.055 0.9793 
1 1 1 12 10 8  o 3  1.98485e+02 1.86028e+01 3.88200e+01 147.026 -8.82562e-01 5.72582e-01  0.00000e+00 0.00000e+00 5.38179e+01 147.026 1.49979e+01 147.026 0.4645 
1 1 1 12 10 10 o 16 3.32698e+02 1.88446e+01 1.26940e+02 243.394 -2.68604e+00 -5.36256e+00 0.00000e+00 0.00000e+00 1.80808e+02 243.394 5.38682e+01 243.394 0.9123 
1 1 1 12 10 11 o 1  5.77937e+02 1.54531e+01 2.12472e+02 46.038  1.45456e+01  1.50823e+01  0.00000e+00 0.00000e+00 3.62379e+02 46.038  1.49906e+02 46.038  0.9758 
1 1 1 12 10 12 o 13 3.75306e+02 1.34917e+01 1.50954e+02 119.870 -5.57048e+00 9.69926e+00  0.00000e+00 0.00000e+00 2.16192e+02 119.870 6.52379e+01 119.870 0.9542 
1 1 1 12 10 13 o 16 7.55675e+02 1.84346e+01 2.51795e+02 195.837 -3.88905e+01 -1.10318e+01 0.00000e+00 0.00000e+00 5.18131e+02 195.837 2.66336e+02 195.837 0.9876 
1 1 1 12 10 14 o 15 9.52257e+01 2.39080e+01 4.11033e+01 298.673 4.12328e-01  -7.53981e-01 0.00000e+00 0.00000e+00 2.09608e+00 118.673 4.31994e+01 118.673 0.3943 
1 1 1 12 10 15 o 5  1.42145e+02 1.95022e+01 1.54445e+02 248.664 -2.01125e+00 -5.14892e+00 0.00000e+00 0.00000e+00 1.99369e+01 68.664  1.74382e+02 68.664  0.9043 
1 1 1 12 10 16 o 2  1.00827e+02 2.42145e+01 5.96206e+01 302.670 1.02812e+00  -1.60329e+00 0.00000e+00 0.00000e+00 1.28409e+01 302.670 4.67796e+01 122.670 0.6815 
1 1 1 12 10 17 o 11 3.88113e+02 1.72410e+01 1.66183e+02 28.605  2.00346e+01  1.09257e+01  0.00000e+00 0.00000e+00 2.37389e+02 28.605  7.12058e+01 28.605  0.9778 
1 1 1 12 10 18 o 3  7.67279e+01 2.58742e+01 2.36888e+01 185.388 -5.62875e-01 -5.30849e-02 0.00000e+00 0.00000e+00 1.30207e+00 5.388   2.49908e+01 5.388   0.2720 
1 1 1 12 10 19 o 9  1.20267e+02 2.43626e+01 3.19640e+01 30.224  1.30652e+00  7.61130e-01  0.00000e+00 0.00000e+00 4.60596e+01 30.224  1.40956e+01 30.224  0.5991 
1 1 1 12 10 20 o 12 8.53733e+01 2.96765e+01 8.49603e+01 27.361  2.73126e+00  1.41341e+00  0.00000e+00 0.00000e+00 8.83201e+00 207.361 9.37923e+01 207.361 0.8154 
1 1 1 12 10 21 o 2  8.19645e+01 3.20553e+01 7.56404e+01 216.703 -1.91836e+00 -1.43004e+00 0.00000e+00 0.00000e+00 7.46126e+00 36.703  8.31017e+01 36.703  0.7528 
1 1 1 12 10 22 o 17 1.59932e+02 2.76645e+01 6.07144e+01 182.330 -5.18051e+00 -2.10825e-01 0.00000e+00 0.00000e+00 9.96178e+01 182.330 3.89033e+01 182.330 0.8975 
1 1 1 12 10 23 o 10 9.51027e+01 2.87108e+01 4.74256e+01 93.473  -1.77735e-01 2.92882e+00  0.00000e+00 0.00000e+00 3.90651e+01 93.473  8.36056e+00 273.473 0.8050 
1 1 1 12 10 24 o 14 7.32774e+01 2.89714e+01 2.34176e+01 335.319 1.11925e+00  -5.14353e-01 0.00000e+00 0.00000e+00 2.03543e+01 335.319 3.06330e+00 155.319 0.5225 
1 1 1 12 10 25 o 1  7.27528e+01 2.85356e+01 3.36815e+01 354.289 2.03817e+00  -2.03823e-01 0.00000e+00 0.00000e+00 2.57306e+01 354.289 7.95082e+00 174.289 0.7056 
1 1 1 12 10 26 o 3  6.65583e+01 2.75893e+01 2.09110e+01 71.431  4.06590e-01  1.21034e+00  0.00000e+00 0.00000e+00 2.09096e+01 71.431  1.38978e-03 251.431 0.5359 
1 1 1 12 10 27 o 1  9.26843e+01 3.44823e+01 2.31864e+01 210.094 -1.55008e+00 -8.98347e-01 0.00000e+00 0.00000e+00 4.95411e+01 210.094 2.63547e+01 210.094 0.6604 
1 1 1 12 10 28 o 7  5.52261e+01 2.51671e+01 2.24800e+01 39.022  1.18418e+00  9.59693e-01  0.00000e+00 0.00000e+00 1.75787e+01 39.022  4.90128e+00 219.022 0.6021 
1 1 1 12 10 29 o 10 5.62653e+01 2.56687e+01 8.17144e+00 279.727 1.06669e-01  -6.22260e-01 0.00000e+00 0.00000e+00 1.25223e+01 279.727 4.35089e+00 279.727 0.3009 
1 1 1 12 10 30 o 11 5.10304e+01 2.44675e+01 3.44424e+01 205.404 -2.62424e+00 -1.24632e+00 0.00000e+00 0.00000e+00 1.63742e+01 205.404 1.80682e+01 25.404  0.8027 
1 1 1 12 10 31 o 11 4.65223e+01 2.27744e+01 1.73754e+01 59.467  8.06276e-01  1.36700e+00  0.00000e+00 0.00000e+00 1.87814e+01 59.467  1.40600e+00 59.467  0.6169 
1 1 1 12 11 0  o 2  9.22647e+02 4.21994e+01 2.79752e+02 0.000   1.55736e+01  0.00000e+00  0.00000e+00 0.00000e+00 6.42699e+02 0.000   3.62947e+02 0.000   1.0000 
1 1 1 12 11 1  o 16 6.10864e+01 2.21880e+01 6.32397e+01 316.044 3.43475e-01  -3.31181e-01 0.00000e+00 0.00000e+00 4.90655e+01 136.044 1.12305e+02 136.044 0.2320 
1 1 1 12 11 2  o 17 1.10625e+02 2.92650e+01 4.55680e+01 41.574  4.54109e-01  4.02807e-01  0.00000e+00 0.00000e+00 1.34239e+01 221.574 5.89918e+01 221.574 0.2903 
1 1 1 12 11 3  o 9  1.10856e+02 2.32575e+01 9.27119e+01 145.929 -1.03955e+00 7.03066e-01  0.00000e+00 0.00000e+00 3.38951e+01 325.929 1.26607e+02 325.929 0.5295 
1 1 1 12 11 4  o 1  5.45490e+02 2.99408e+01 2.14949e+02 198.972 -1.62101e+01 -5.57278e+00 0.00000e+00 0.00000e+00 3.16409e+02 198.972 1.01459e+02 198.972 0.9704 
1 1 1 12 11 5  o 7  4.18780e+02 1.51338e+01 1.73860e+02 91.426  -2.75910e-01 1.10851e+01  0.00000e+00 0.00000e+00 2.28006e+02 91.426  5.41454e+01 91.426  0.9538 
1 1 1 12 11 6  o 4  2.42655e+02 1.43580e+01 1.04032e+02 206.120 -3.15222e+00 -1.54564e+00 0.00000e+00 0.00000e+00 1.02020e+02 206.120 2.01255e+00 26.120  0.8417 
1 1 1 12 11 7  o 15 7.56326e+02 2.56877e+01 3.60541e+02 295.459 1.56004e+01  -3.27671e+01 0.00000e+00 0.00000e+00 3.94403e+02 295.459 3.38618e+01 295.459 0.9861 
1 1 1 12 11 8  o 14 4.81296e+02 1.99039e+01 1.28475e+02 54.014  5.13375e+00  7.06959e+00  0.00000e+00 0.00000e+00 3.31648e+02 54.014  2.03173e+02 54.014  0.9409 
1 1 1 12 11 9  o 18 5.12645e+02 2.06941e+01 1.88944e+02 120.577 -6.96083e+00 1.17810e+01  0.00000e+00 0.00000e+00 3.14677e+02 120.577 1.25733e+02 120.577 0.9627 
1 1 1 12 11 10 o 1  1.51914e+02 2.39265e+01 2.49827e+01 41.612  4.71389e-01  4.18690e-01  0.00000e+00 0.00000e+00 2.18309e+01 41.612  3.15174e+00 221.612 0.3005 
1 1 1 12 11 11 o 19 5.21263e+02 2.14082e+01 1.70098e+02 93.711  -1.10627e+00 1.70550e+01  0.00000e+00 0.00000e+00 3.51238e+02 93.711  1.81140e+02 93.711  0.9703 
1 1 1 12 11 12 o 11 1.60741e+02 1.57992e+01 4.75989e+01 300.420 8.35838e-01  -1.42351e+00 0.00000e+00 0.00000e+00 5.75992e+01 300.420 1.00003e+01 300.420 0.6313 
1 1 1 12 11 13 o 6  3.00373e+02 1.38596e+01 1.03819e+02 288.510 2.28808e+00  -6.83428e+00 0.00000e+00 0.00000e+00 1.86931e+02 288.510 8.31125e+01 288.510 0.9278 
1 1 1 12 11 14 o 11 5.58732e+02 1.89221e+01 1.83839e+02 137.410 -1.92536e+01 1.76981e+01  0.00000e+00 0.00000e+00 3.91745e+02 137.410 2.07906e+02 137.410 0.9807 
1 1 1 12 11 15 o 2  3.51198e+01 1.69494e+01 5.97573e+01 133.250 -3.77974e-01 4.01801e-01  0.00000e+00 0.00000e+00 4.98783e+01 313.250 1.09636e+02 313.250 0.2658 
1 1 1 12 11 16 o 9  1.94384e+02 1.67201e+01 7.02728e+01 310.326 3.17083e+00  -3.73546e+00 0.00000e+00 0.00000e+00 1.14435e+02 310.326 4.41621e+01 310.326 0.8910 
1 1 1 12 11 17 o 7  1.90223e+02 1.74756e+01 3.39475e+01 198.623 -2.04967e+00 -6.90712e-01 0.00000e+00 0.00000e+00 1.13908e+02 198.623 7.99603e+01 198.623 0.7228 
1 1 1 12 11 18 o 18 9.16262e+01 3.99394e+01 1.16050e+02 291.737 1.28785e+00  -3.23018e+00 0.00000e+00 0.00000e+00 3.25578e+01 111.737 1.48608e+02 111.737 0.8399 
1 1 1 12 11 19 o 9  7.56960e+01 2.67698e+01 2.87182e+01 210.161 -8.02476e-01 -4.66317e-01 0.00000e+00 0.00000e+00 6.12531e+00 210.161 2.25929e+01 30.161  0.4203 
1 1 1 12 11 20 o 12 2.06383e+02 3.31416e+01 1.53733e+02 111.161 -4.18519e+00 1.08118e+01  0.00000e+00 0.00000e+00 6.44285e+01 111.161 8.93040e+01 291.161 0.9558 
1 1 1 12 11 21 o 9  1.81453e+02 2.50278e+01 7.36285e+01 9.852   6.80895e+00  1.18246e+00  0.00000e+00 0.00000e+00 1.13822e+02 9.852   4.01932e+01 9.852   0.9245 
1 1 1 12 11 22 o 16 1.28749e+02 3.22076e+01 1.09893e+02 253.666 -2.18400e+00 -7.45253e+00 0.00000e+00 0.00000e+00 2.58237e+01 253.666 8.40695e+01 73.666  0.9332 
1 1 1 12 11 23 o 10 1.01093e+02 3.05180e+01 3.69279e+01 159.027 -2.31985e+00 8.89233e-01  0.00000e+00 0.00000e+00 5.12284e+01 159.027 1.43005e+01 159.027 0.7633 
1 1 1 12 11 24 o 9  8.73398e+01 3.00311e+01 3.46508e+01 52.003  1.44474e+00  1.84940e+00  0.00000e+00 0.00000e+00 4.08013e+01 52.003  6.15054e+00 52.003  0.7473 
1 1 1 12 11 25 o 15 5.78413e+01 2.56035e+01 1.03659e+01 133.599 -3.89995e-01 4.09543e-01  0.00000e+00 0.00000e+00 8.05079e+00 133.599 2.31515e+00 313.599 0.2720 
1 1 1 12 11 26 o 13 5.59334e+01 2.52797e+01 4.61075e+01 27.472  2.38825e+00  1.24176e+00  0.00000e+00 0.00000e+00 5.90631e+00 27.472  4.02012e+01 207.472 0.7843 
1 1 1 12 11 27 o 18 9.65042e+01 3.71746e+01 3.44769e+01 316.685 1.96253e+00  -1.85033e+00 0.00000e+00 0.00000e+00 5.65315e+01 316.685 2.20546e+01 316.685 0.7849 
1 1 1 12 11 28 o 1  9.92954e+01 3.57242e+01 6.10558e+01 189.605 -5.16135e+00 -8.73459e-01 0.00000e+00 0.00000e+00 4.76479e+01 189.605 1.34079e+01 9.605   0.8986 
1 1 1 12 11 29 o 10 6.01834e+01 2.68194e+01 2.02865e+01 158.523 -1.65285e+00 6.50318e-01  0.00000e+00 0.00000e+00 2.86130e+01 158.523 8.32652e+00 158.523 0.6574 
1 1 1 12 11 30 o 16 5.81418e+01 2.66194e+01 1.63193e+01 35.909  1.16711e+00  8.45140e-01  0.00000e+00 0.00000e+00 2.60731e+01 35.909  9.75376e+00 35.909  0.5812 
1 1 1 12 12 0  o 9  4.26583e+01 2.66142e+01 3.88658e+01 0.000   1.25521e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.34746e+01 180.000 7.23404e+01 180.000 0.1249 
1 1 1 12 12 1  o 12 8.88551e+02 4.14648e+01 2.75976e+02 192.715 -3.27588e+01 -7.39150e+00 0.00000e+00 0.00000e+00 6.10078e+02 192.715 3.34102e+02 192.715 0.9850 
1 1 1 12 12 3  o 13 1.36260e+02 2.10187e+01 4.89146e+01 21.525  8.53155e-01  3.36492e-01  0.00000e+00 0.00000e+00 8.62185e+00 21.525  4.02928e+01 201.525 0.4163 
1 1 1 12 12 4  o 9  1.73926e+02 1.89790e+01 5.50289e+01 289.189 4.32316e-01  -1.24223e+00 0.00000e+00 0.00000e+00 4.16608e+01 289.189 1.33681e+01 109.189 0.5471 
1 1 1 12 12 5  o 12 4.83832e+02 1.61092e+01 2.13601e+02 81.065  2.33078e+00  1.48245e+01  0.00000e+00 0.00000e+00 2.62480e+02 81.065  4.88786e+01 81.065  0.9661 
1 1 1 12 12 6  o 14 3.72777e+02 1.49464e+01 2.40667e+02 181.948 -1.29162e+01 -4.39345e-01 0.00000e+00 0.00000e+00 1.25030e+02 181.948 1.15637e+02 1.948   0.9605 
1 1 1 12 12 7  o 2  7.53338e+01 2.64360e+01 4.73107e+01 339.370 4.66858e-01  -1.75757e-01 0.00000e+00 0.00000e+00 2.86316e+01 159.370 7.59423e+01 159.370 0.2420 
1 1 1 12 12 8  f 0  4.09666e+02 1.90422e+01 2.49190e+02 352.315 1.73484e+01  -2.34112e+00 0.00000e+00 0.00000e+00 1.59970e+02 352.315 8.92207e+01 172.315 0.9710 
1 1 1 12 12 9  o 5  3.51176e+02 1.86174e+01 1.76235e+02 187.047 -1.03899e+01 -1.28437e+00 0.00000e+00 0.00000e+00 1.68747e+02 187.047 7.48799e+00 7.047   0.9510 
1 1 1 12 12 10 o 13 2.34502e+02 1.99447e+01 1.25509e+02 106.078 -1.58151e+00 5.48704e+00  0.00000e+00 0.00000e+00 9.54092e+01 106.078 3.00997e+01 286.078 0.9076 
1 1 1 12 12 11 o 11 1.04647e+02 3.09526e+01 4.05535e+01 312.760 5.77013e-01  -6.23992e-01 0.00000e+00 0.00000e+00 2.10810e+00 312.760 3.84454e+01 132.760 0.3907 
1 1 1 12 12 12 o 13 3.01218e+02 1.36465e+01 1.11513e+02 265.184 -6.54942e-01 -7.77336e+00 0.00000e+00 0.00000e+00 1.83611e+02 265.184 7.20981e+01 265.184 0.9335 
1 1 1 12 12 13 o 8  3.08657e+02 1.40376e+01 5.19385e+01 329.978 3.63221e+00  -2.09889e+00 0.00000e+00 0.00000e+00 2.31885e+02 329.978 1.79947e+02 329.978 0.8706 
1 1 1 12 12 14 o 7  8.67541e+01 2.51050e+01 5.80842e+01 288.987 4.13943e-01  -1.20308e+00 0.00000e+00 0.00000e+00 8.76420e+00 108.987 6.68484e+01 108.987 0.5346 
1 1 1 12 12 15 o 4  3.30727e+01 1.61621e+01 4.26693e+01 143.526 -4.11771e-01 3.04406e-01  0.00000e+00 0.00000e+00 3.38834e+01 323.526 7.65526e+01 323.526 0.2480 
1 1 1 12 12 16 o 16 3.45688e+02 1.69828e+01 1.56201e+02 77.519  4.06334e+00  1.83576e+01  0.00000e+00 0.00000e+00 2.06945e+02 77.519  5.07438e+01 77.519  0.9730 
1 1 1 12 12 17 o 4  8.68744e+01 2.64553e+01 4.16749e+01 207.913 -1.22776e+00 -6.50437e-01 0.00000e+00 0.00000e+00 1.20042e+01 207.913 2.96707e+01 27.913  0.5676 
1 1 1 12 12 18 o 9  8.89170e+01 2.59411e+01 5.74178e+01 196.451 -2.13204e+00 -6.29550e-01 0.00000e+00 0.00000e+00 1.39892e+01 196.451 4.34286e+01 16.451  0.7312 
1 1 1 12 12 19 f 0  5.62351e+01 2.43794e+01 3.77105e+01 67.294  3.36543e-01  8.04284e-01  0.00000e+00 0.00000e+00 1.28270e+01 247.294 5.05375e+01 247.294 0.3991 
1 1 1 12 12 20 o 15 5.89080e+01 2.53326e+01 2.36986e+01 234.283 -4.24059e-01 -5.89779e-01 0.00000e+00 0.00000e+00 1.19794e+00 54.283  2.48966e+01 54.283  0.3412 
1 1 1 12 12 21 o 13 8.50501e+01 2.83109e+01 2.97598e+01 348.809 1.38659e+00  -2.74330e-01 0.00000e+00 0.00000e+00 2.54630e+01 348.809 4.29679e+00 168.809 0.5740 
1 1 1 12 12 22 o 6  5.10369e+01 2.34748e+01 4.04818e+01 351.827 1.48408e+00  -2.13155e-01 0.00000e+00 0.00000e+00 5.70068e+00 171.827 4.61824e+01 171.827 0.5960 
1 1 1 12 12 23 o 4  1.20563e+02 2.89094e+01 2.73990e+01 99.389  -3.88130e-01 2.34742e+00  0.00000e+00 0.00000e+00 7.73479e+01 99.389  4.99489e+01 99.389  0.7512 
1 1 1 12 12 24 o 9  7.06705e+01 2.98517e+01 1.31874e+01 259.086 -1.42379e-01 -7.38397e-01 0.00000e+00 0.00000e+00 1.59018e+01 259.086 2.71437e+00 259.086 0.3517 
1 1 1 12 12 25 o 12 7.89248e+01 2.95896e+01 2.97158e+01 251.704 -6.37072e-01 -1.92681e+00 0.00000e+00 0.00000e+00 3.59848e+01 251.704 6.26908e+00 251.704 0.7025 
1 1 1 12 12 26 o 13 6.39281e+01 2.74860e+01 2.02639e+01 126.187 -8.12929e-01 1.11125e+00  0.00000e+00 0.00000e+00 2.30253e+01 126.187 2.76144e+00 126.187 0.5642 
1 1 1 12 12 27 o 15 6.92705e+01 2.83038e+01 1.38779e+01 16.914  1.00519e+00  3.05676e-01  0.00000e+00 0.00000e+00 2.52225e+01 16.914  1.13446e+01 16.914  0.4640 
1 1 1 12 12 28 o 1  5.72708e+01 2.70926e+01 5.57344e+00 301.748 2.20397e-01  -3.56189e-01 0.00000e+00 0.00000e+00 8.90480e+00 301.748 3.33136e+00 301.748 0.2050 
1 1 1 12 12 29 f 0  7.05115e+01 2.93452e+01 1.78776e+01 99.740  -2.71075e-01 1.57918e+00  0.00000e+00 0.00000e+00 3.68596e+01 99.740  1.89820e+01 99.740  0.6204 
1 1 1 12 12 30 o 1  4.03249e+01 2.01072e+01 1.62307e+01 37.851  1.17919e+00  9.16372e-01  0.00000e+00 0.00000e+00 1.42148e+01 37.851  2.01592e+00 217.851 0.5945 
1 1 1 12 13 0  o 18 1.21686e+02 3.34259e+01 1.40302e+02 0.000   1.21506e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.56846e+01 180.000 1.75987e+02 180.000 0.8382 
1 1 1 12 13 1  o 3  1.84848e+02 2.45630e+01 3.36481e+01 221.673 -6.58506e-01 -5.86160e-01 0.00000e+00 0.00000e+00 4.27547e+01 221.673 9.10665e+00 221.673 0.4029 
1 1 1 12 13 3  o 14 1.66462e+02 1.91155e+01 5.94529e+01 240.305 -7.01748e-01 -1.23056e+00 0.00000e+00 0.00000e+00 3.89164e+01 240.305 2.05365e+01 60.305  0.5748 
1 1 1 12 13 4  o 16 1.40840e+02 2.14199e+01 1.39986e+02 2.350   2.83237e+00  1.16234e-01  0.00000e+00 0.00000e+00 2.43887e+01 182.350 1.64375e+02 182.350 0.7970 
1 1 1 12 13 5  o 16 6.07027e+02 2.22007e+01 1.89376e+02 40.136  1.25006e+01  1.05399e+01  0.00000e+00 0.00000e+00 4.17719e+02 40.136  2.28343e+02 40.136  0.9689 
1 1 1 12 13 6  o 11 2.49675e+02 1.78953e+01 1.58850e+02 286.965 2.00195e+00  -6.56226e+00 0.00000e+00 0.00000e+00 7.99230e+01 286.965 7.89268e+01 106.965 0.9239 
1 1 1 12 13 7  o 6  8.04059e+01 2.63541e+01 7.41818e+01 67.745  3.73857e-01  9.13614e-01  0.00000e+00 0.00000e+00 3.72910e+01 247.745 1.11473e+02 247.745 0.4418 
1 1 1 12 13 8  o 17 7.86420e+02 2.69045e+01 3.28751e+02 127.020 -2.95692e+01 3.92111e+01  0.00000e+00 0.00000e+00 4.82617e+02 127.020 1.53866e+02 127.020 0.9898 
1 1 1 12 13 9  o 18 4.20032e+02 1.99324e+01 1.60962e+02 257.115 -3.25448e+00 -1.42269e+01 0.00000e+00 0.00000e+00 2.63414e+02 257.115 1.02453e+02 257.115 0.9651 
1 1 1 12 13 10 o 16 1.66422e+02 2.49624e+01 9.59152e+01 334.848 3.47342e+00  -1.63091e+00 0.00000e+00 0.00000e+00 5.41028e+01 334.848 4.18125e+01 154.848 0.8570 
1 1 1 12 13 11 o 6  2.92646e+02 2.02169e+01 9.63098e+01 177.956 -6.37527e+00 2.27545e-01  0.00000e+00 0.00000e+00 1.87744e+02 177.956 9.14343e+01 177.956 0.9179 
1 1 1 12 13 12 o 8  6.00899e+01 2.57370e+01 1.97001e+01 122.171 -1.55327e-01 2.46931e-01  0.00000e+00 0.00000e+00 1.04754e+01 302.171 3.01755e+01 302.171 0.1443 
1 1 1 12 13 13 o 14 1.99873e+02 1.55975e+01 9.15689e+01 157.856 -4.53455e+00 1.84533e+00  0.00000e+00 0.00000e+00 9.90286e+01 157.856 7.45965e+00 157.856 0.8909 
1 1 1 12 13 14 o 6  2.06814e+02 1.56783e+01 3.83200e+01 134.008 -2.01524e+00 2.08626e+00  0.00000e+00 0.00000e+00 1.40509e+02 134.008 1.02189e+02 134.008 0.8024 
1 1 1 12 13 15 o 13 2.43630e+02 1.55939e+01 9.11305e+01 359.985 7.85127e+00  -2.07429e-03 0.00000e+00 0.00000e+00 1.55883e+02 359.985 6.47527e+01 359.985 0.9340 
1 1 1 12 13 16 o 7  7.99902e+01 2.63921e+01 6.52912e+01 249.569 -7.04824e-01 -1.89213e+00 0.00000e+00 0.00000e+00 3.95075e+00 69.569  6.92419e+01 69.569  0.7009 
1 1 1 12 13 17 o 14 1.36653e+02 2.19630e+01 7.22721e+01 9.271   4.48264e+00  7.31711e-01  0.00000e+00 0.00000e+00 6.06324e+01 9.271   1.16397e+01 189.271 0.8816 
1 1 1 12 13 18 o 6  2.42326e+02 1.84769e+01 7.80705e+01 81.293  1.40415e+00  9.16915e+00  0.00000e+00 0.00000e+00 1.76663e+02 81.293  9.85922e+01 81.293  0.9445 
1 1 1 12 13 19 o 16 1.38960e+02 2.41230e+01 8.43413e+01 91.967  -1.73709e-01 5.05711e+00  0.00000e+00 0.00000e+00 5.53446e+01 91.967  2.89967e+01 271.967 0.8948 
1 1 1 12 13 20 o 3  9.84978e+01 3.30367e+01 8.75526e+01 264.221 -4.26192e-01 -4.21137e+00 0.00000e+00 0.00000e+00 9.88567e+00 264.221 7.76670e+01 84.221  0.8719 
1 1 1 12 13 21 o 3  1.86714e+02 3.33542e+01 8.83060e+01 233.371 -5.27030e+00 -7.08897e+00 0.00000e+00 0.00000e+00 1.13228e+02 233.371 2.49217e+01 233.371 0.9416 
1 1 1 12 13 22 o 12 1.36950e+02 2.53007e+01 7.03327e+01 99.354  -1.23834e+00 7.51802e+00  0.00000e+00 0.00000e+00 7.75581e+01 99.354  7.22533e+00 99.354  0.9319 
1 1 1 12 13 23 o 17 8.62976e+01 3.07667e+01 4.70490e+01 92.580  -1.48248e-01 3.29009e+00  0.00000e+00 0.00000e+00 3.68568e+01 92.580  1.01922e+01 272.580 0.8295 
1 1 1 12 13 24 o 14 1.04940e+02 3.08261e+01 3.58192e+01 293.085 1.19445e+00  -2.80244e+00 0.00000e+00 0.00000e+00 6.54151e+01 293.085 2.95959e+01 293.085 0.8134 
1 1 1 12 13 25 o 15 6.40766e+01 2.75945e+01 2.25394e+01 12.495  1.36818e+00  3.03193e-01  0.00000e+00 0.00000e+00 2.13790e+01 12.495  1.16037e+00 192.495 0.5708 
1 1 1 12 13 26 o 16 6.52407e+01 2.75468e+01 2.63844e+01 218.527 -1.56509e+00 -1.24615e+00 0.00000e+00 0.00000e+00 2.89955e+01 218.527 2.61110e+00 218.527 0.6979 
1 1 1 12 13 27 o 12 6.45449e+01 2.93356e+01 4.63541e+01 208.236 -2.90699e+00 -1.56103e+00 0.00000e+00 0.00000e+00 1.96776e+01 208.236 2.66765e+01 28.236  0.8299 
1 1 1 12 13 28 o 15 7.53873e+01 3.26171e+01 2.66192e+01 39.362  1.71474e+00  1.40659e+00  0.00000e+00 0.00000e+00 4.22141e+01 39.362  1.55949e+01 39.362  0.7305 
1 1 1 12 13 29 o 9  6.45365e+01 2.83831e+01 3.71607e+01 19.446  3.13180e+00  1.10570e+00  0.00000e+00 0.00000e+00 3.08588e+01 19.446  6.30197e+00 199.446 0.8312 
1 1 1 12 14 0  o 9  3.46749e+02 2.48855e+01 1.33718e+02 180.000 -3.34465e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.26204e+02 180.000 9.24853e+01 180.000 0.9975 
1 1 1 12 14 1  o 16 3.52150e+02 2.45818e+01 9.76609e+01 7.865   4.80429e+00  6.63656e-01  0.00000e+00 0.00000e+00 2.28472e+02 7.865   1.30811e+02 7.865   0.8898 
1 1 1 12 14 2  o 4  4.77972e+02 1.98212e+01 1.47330e+02 291.950 4.55542e+00  -1.13033e+01 0.00000e+00 0.00000e+00 3.29652e+02 291.950 1.82322e+02 291.950 0.9581 
1 1 1 12 14 3  o 5  1.55683e+02 2.00119e+01 8.60209e+01 194.077 -2.23646e+00 -5.60815e-01 0.00000e+00 0.00000e+00 3.44730e+01 194.077 5.15479e+01 14.077  0.7421 
1 1 1 12 14 4  o 19 5.42844e+02 1.71640e+01 2.36761e+02 62.600  1.02174e+01  1.97112e+01  0.00000e+00 0.00000e+00 3.17469e+02 62.600  8.07080e+01 62.600  0.9772 
1 1 1 12 14 5  o 9  1.84911e+02 1.97061e+01 8.55485e+00 110.661 -1.11074e-01 2.94563e-01  0.00000e+00 0.00000e+00 2.15520e+01 110.661 1.29972e+01 110.661 0.1555 
1 1 1 12 14 6  o 11 2.89550e+02 1.82683e+01 1.60243e+02 274.737 7.59763e-01  -9.16808e+00 0.00000e+00 0.00000e+00 1.26769e+02 274.737 3.34732e+01 94.737  0.9440 
1 1 1 12 14 7  o 12 2.84932e+02 1.86752e+01 1.33195e+02 32.460  6.99775e+00  4.45124e+00  0.00000e+00 0.00000e+00 1.48259e+02 32.460  1.50648e+01 32.460  0.9376 
1 1 1 12 14 8  o 9  6.66282e+02 2.41568e+01 2.26261e+02 214.058 -3.04597e+01 -2.05904e+01 0.00000e+00 0.00000e+00 4.68686e+02 214.058 2.42424e+02 214.058 0.9863 
1 1 1 12 14 9  o 14 1.90848e+02 2.13565e+01 9.91186e+01 44.088  3.32463e+00  3.22046e+00  0.00000e+00 0.00000e+00 8.00583e+01 44.088  1.90603e+01 224.088 0.8840 
1 1 1 12 14 10 o 15 2.55974e+02 2.09017e+01 1.57818e+02 43.814  6.56412e+00  6.29786e+00  0.00000e+00 0.00000e+00 9.98619e+01 43.814  5.79561e+01 223.814 0.9433 
1 1 1 12 14 11 o 11 2.47785e+02 2.17899e+01 7.39852e+01 254.752 -1.27051e+00 -4.66069e+00 0.00000e+00 0.00000e+00 1.62417e+02 254.752 8.84314e+01 254.752 0.8893 
1 1 1 12 14 12 o 7  4.55454e+02 1.73436e+01 2.02180e+02 104.948 -8.07635e+00 3.02512e+01  0.00000e+00 0.00000e+00 2.81368e+02 104.948 7.91878e+01 104.948 0.9839 
1 1 1 12 14 13 o 6  1.63183e+02 1.74482e+01 1.18224e+02 145.313 -5.75717e+00 3.98457e+00  0.00000e+00 0.00000e+00 4.57810e+01 145.313 7.24433e+01 325.313 0.9255 
1 1 1 12 14 14 o 3  2.10015e+02 1.56430e+01 8.62330e+01 264.930 -5.68431e-01 -6.40659e+00 0.00000e+00 0.00000e+00 1.24682e+02 264.930 3.84493e+01 264.930 0.9186 
1 1 1 12 14 15 o 2  4.69026e+01 2.10962e+01 3.47378e+01 344.131 6.43263e-01  -1.82857e-01 0.00000e+00 0.00000e+00 1.83645e+01 164.131 5.31023e+01 164.131 0.3170 
1 1 1 12 14 16 o 17 1.70390e+02 2.78537e+01 7.85910e+01 316.981 3.75444e+00  -3.50334e+00 0.00000e+00 0.00000e+00 9.09474e+01 316.981 1.23564e+01 316.981 0.8964 
1 1 1 12 14 17 o 12 7.98642e+01 2.67505e+01 1.59046e+01 341.115 5.38015e-01  -1.84043e-01 0.00000e+00 0.00000e+00 8.53452e+00 341.115 7.37012e+00 161.115 0.2734 
1 1 1 12 14 18 o 2  8.18444e+01 2.71376e+01 5.93908e+01 32.359  1.72098e+00  1.09042e+00  0.00000e+00 0.00000e+00 5.65263e+00 32.359  5.37382e+01 212.359 0.7038 
1 1 1 12 14 19 o 3  2.15402e+02 2.37304e+01 3.35558e+01 128.290 -2.59756e+00 3.29026e+00  0.00000e+00 0.00000e+00 1.80161e+02 128.290 1.46605e+02 128.290 0.8705 
1 1 1 12 14 20 o 17 5.55910e+01 2.43160e+01 1.81277e+01 309.547 4.12520e-01  -4.99594e-01 0.00000e+00 0.00000e+00 1.58373e+00 309.547 1.65440e+01 129.547 0.3081 
1 1 1 12 14 21 o 19 6.52581e+01 2.66034e+01 7.44346e+00 323.829 2.87491e-01  -2.10186e-01 0.00000e+00 0.00000e+00 5.86078e+00 323.829 1.58268e+00 143.829 0.1753 
1 1 1 12 14 22 o 7  1.45409e+02 2.58881e+01 4.23106e+01 119.899 -2.67470e+00 4.65162e+00  0.00000e+00 0.00000e+00 1.11755e+02 119.899 6.94446e+01 119.899 0.9012 
1 1 1 12 14 23 o 11 4.07669e+01 1.99913e+01 1.12915e+01 105.119 -1.26368e-01 4.67730e-01  0.00000e+00 0.00000e+00 1.19916e-01 105.119 1.11716e+01 285.119 0.2354 
1 1 1 12 14 24 o 17 6.55302e+01 2.91699e+01 4.05231e+01 273.582 1.48370e-01  -2.37040e+00 0.00000e+00 0.00000e+00 1.86684e+01 273.582 2.18546e+01 93.582  0.7507 
1 1 1 12 14 25 o 7  4.96970e+01 2.33254e+01 2.65850e+01 65.792  6.65362e-01  1.47992e+00  0.00000e+00 0.00000e+00 1.12543e+01 65.792  1.53307e+01 245.792 0.6250 
1 1 1 12 14 26 o 10 7.40633e+01 2.91887e+01 2.04175e+01 74.922  4.14508e-01  1.53861e+00  0.00000e+00 0.00000e+00 3.60999e+01 74.922  1.56824e+01 74.922  0.6184 
1 1 1 12 14 27 o 3  5.18302e+01 2.40574e+01 3.64827e+01 281.848 5.71053e-01  -2.72204e+00 0.00000e+00 0.00000e+00 1.48803e+01 281.848 2.16024e+01 101.848 0.7924 
1 1 1 12 14 28 o 13 6.07204e+01 2.84496e+01 1.15016e+01 146.749 -7.70256e-01 5.05019e-01  0.00000e+00 0.00000e+00 2.06612e+01 146.749 9.15959e+00 146.749 0.4177 
1 1 1 12 14 29 o 12 7.30213e+01 3.21951e+01 2.14939e+01 188.219 -1.83617e+00 -2.65216e-01 0.00000e+00 0.00000e+00 4.16782e+01 188.219 2.01843e+01 188.219 0.6725 
1 1 1 12 15 1  o 13 1.97434e+02 2.47986e+01 8.34714e+01 184.192 -3.18988e+00 -2.33811e-01 0.00000e+00 0.00000e+00 8.84229e+01 184.192 4.95149e+00 184.192 0.8236 
1 1 1 12 15 2  o 9  6.87682e+01 2.49658e+01 5.03143e+01 127.930 -4.11401e-01 5.27903e-01  0.00000e+00 0.00000e+00 2.72390e+01 307.930 7.75533e+01 307.930 0.3172 
1 1 1 12 15 3  o 2  8.77748e+01 2.55166e+01 9.96077e+01 347.741 1.64117e+00  -3.56594e-01 0.00000e+00 0.00000e+00 4.03421e+01 167.741 1.39950e+02 167.741 0.6375 
1 1 1 12 15 4  o 3  3.33669e+02 1.45753e+01 8.91513e+01 162.833 -6.35015e+00 1.96173e+00  0.00000e+00 0.00000e+00 2.37049e+02 162.833 1.47898e+02 162.833 0.9214 
1 1 1 12 15 5  o 11 1.12482e+02 2.07814e+01 2.92283e+01 336.601 6.52266e-01  -2.82245e-01 0.00000e+00 0.00000e+00 1.08038e+01 336.601 1.84245e+01 156.601 0.3347 
1 1 1 12 15 6  o 11 1.95342e+02 2.00658e+01 1.32857e+02 354.026 6.45827e+00  -6.75790e-01 0.00000e+00 0.00000e+00 5.86716e+01 354.026 7.41850e+01 174.026 0.9194 
1 1 1 12 15 7  o 18 6.11183e+02 2.30516e+01 2.71102e+02 161.856 -3.57447e+01 1.17133e+01  0.00000e+00 0.00000e+00 3.74069e+02 161.856 1.02966e+02 161.856 0.9866 
1 1 1 12 15 8  o 9  1.75674e+02 2.26366e+01 8.26542e+01 315.108 2.31420e+00  -2.30553e+00 0.00000e+00 0.00000e+00 7.35498e+01 315.108 9.10444e+00 135.108 0.8279 
1 1 1 12 15 10 o 5  2.04494e+02 2.30979e+01 6.36475e+01 116.402 -1.50837e+00 3.03827e+00  0.00000e+00 0.00000e+00 1.21468e+02 116.402 5.78204e+01 116.402 0.8353 
1 1 1 12 15 11 o 2  2.82318e+02 2.21056e+01 9.81732e+01 150.367 -7.90921e+00 4.49902e+00  0.00000e+00 0.00000e+00 1.91992e+02 150.367 9.38189e+01 150.367 0.9433 
1 1 1 12 15 12 o 4  8.76911e+01 3.24480e+01 7.21132e+01 174.293 -1.98889e+00 1.98775e-01  0.00000e+00 0.00000e+00 5.07744e+00 354.293 7.71906e+01 354.293 0.6976 
1 1 1 12 15 13 o 13 2.00960e+02 2.01964e+01 5.25022e+01 24.281  3.23208e+00  1.45805e+00  0.00000e+00 0.00000e+00 1.34424e+02 24.281  8.19220e+01 24.281  0.8435 
1 1 1 12 15 14 o 2  1.49813e+02 1.95583e+01 1.13248e+02 4.844   7.06070e+00  5.98305e-01  0.00000e+00 0.00000e+00 4.08648e+01 4.844   7.23834e+01 184.844 0.9265 
1 1 1 12 15 15 o 5  1.04413e+02 2.56383e+01 6.88140e+01 282.966 7.16278e-01  -3.11089e+00 0.00000e+00 0.00000e+00 2.73292e+01 282.966 4.14847e+01 102.966 0.8233 
1 1 1 12 15 16 o 19 3.17995e+02 2.03921e+01 1.02142e+02 162.965 -1.51099e+01 4.62963e+00  0.00000e+00 0.00000e+00 2.44788e+02 162.965 1.42645e+02 162.965 0.9678 
1 1 1 12 15 17 o 1  5.97103e+01 2.51126e+01 4.98137e+01 112.907 -5.00549e-01 1.18453e+00  0.00000e+00 0.00000e+00 1.32581e+01 292.907 6.30718e+01 292.907 0.5386 
1 1 1 12 15 18 o 11 1.26644e+02 3.77494e+01 5.01709e+01 330.894 2.51428e+00  -1.39976e+00 0.00000e+00 0.00000e+00 6.60885e+01 330.894 1.59176e+01 330.894 0.8005 
1 1 1 12 15 19 o 8  1.08675e+02 2.91974e+01 6.48578e+01 274.672 3.38375e-01  -4.14029e+00 0.00000e+00 0.00000e+00 4.44808e+01 274.672 2.03771e+01 94.672  0.8692 
1 1 1 12 15 20 f 0  1.11707e+02 3.27960e+01 5.12909e+01 153.927 -3.27566e+00 1.60279e+00  0.00000e+00 0.00000e+00 5.94955e+01 153.927 8.20461e+00 153.927 0.8484 
1 1 1 12 15 21 o 10 6.97561e+01 2.95865e+01 5.93072e+01 85.631  2.49867e-01  3.27054e+00  0.00000e+00 0.00000e+00 8.97116e+00 85.631  5.03360e+01 265.631 0.8287 
1 1 1 12 15 22 o 14 9.29350e+01 3.03544e+01 5.90053e+01 16.436  4.19323e+00  1.23700e+00  0.00000e+00 0.00000e+00 3.82463e+01 16.436  2.07590e+01 196.436 0.8764 
1 1 1 12 15 23 o 5  1.03468e+02 3.00841e+01 4.93933e+01 278.727 6.62525e-01  -4.31601e+00 0.00000e+00 0.00000e+00 6.00949e+01 278.727 1.07016e+01 278.727 0.8763 
1 1 1 12 15 24 o 5  6.97058e+01 2.81307e+01 1.79273e+01 232.402 -7.93860e-01 -1.03093e+00 0.00000e+00 0.00000e+00 2.83259e+01 232.402 1.03986e+01 232.402 0.5430 
1 1 1 12 15 25 o 5  7.09524e+01 2.85016e+01 4.50887e+01 139.011 -2.63951e+00 2.29357e+00  0.00000e+00 0.00000e+00 2.87301e+01 139.011 1.63585e+01 319.011 0.8409 
1 1 1 12 15 26 o 18 9.01680e+01 3.13359e+01 2.90487e+01 248.090 -1.06542e+00 -2.64904e+00 0.00000e+00 0.00000e+00 6.12023e+01 248.090 3.21536e+01 248.090 0.7987 
1 1 1 12 15 27 f 0  5.92235e+01 2.65942e+01 3.88618e+01 51.567  2.08408e+00  2.62635e+00  0.00000e+00 0.00000e+00 2.37969e+01 51.567  1.50649e+01 231.567 0.8330 
1 1 1 12 15 28 o 10 5.16943e+01 2.42961e+01 7.73482e+00 114.495 -2.81475e-01 6.17794e-01  0.00000e+00 0.00000e+00 1.36537e+01 114.495 5.91889e+00 114.495 0.3213 
1 1 1 12 16 1  o 12 1.23749e+02 2.31041e+01 5.87729e+01 222.619 -1.32389e+00 -1.21820e+00 0.00000e+00 0.00000e+00 2.92473e+01 222.619 2.95256e+01 42.619  0.6619 
1 1 1 12 16 3  o 14 6.25547e+02 1.86705e+01 2.09670e+02 70.849  1.08435e+01  3.12249e+01  0.00000e+00 0.00000e+00 4.53675e+02 70.849  2.44005e+02 70.849  0.9848 
1 1 1 12 16 4  o 1  4.52441e+01 2.00229e+01 1.44358e+01 237.577 -8.11570e-02 -1.27770e-01 0.00000e+00 0.00000e+00 1.07525e+01 57.577  2.51883e+01 57.577  0.0755 
1 1 1 12 16 5  o 4  3.63553e+02 1.83627e+01 1.53046e+02 268.528 -3.31600e-01 -1.29046e+01 0.00000e+00 0.00000e+00 2.24481e+02 268.528 7.14352e+01 268.528 0.9605 
1 1 1 12 16 6  o 13 2.36381e+02 1.95260e+01 7.96651e+01 296.160 2.17715e+00  -4.43234e+00 0.00000e+00 0.00000e+00 1.48922e+02 296.160 6.92573e+01 296.160 0.8919 
1 1 1 12 16 7  o 6  1.81568e+02 2.27817e+01 1.02934e+02 339.905 4.47194e+00  -1.63606e+00 0.00000e+00 0.00000e+00 7.23590e+01 339.905 3.05750e+01 159.905 0.8875 
1 1 1 12 16 8  o 4  3.90255e+02 2.04505e+01 1.69085e+02 56.969  9.59433e+00  1.47567e+01  0.00000e+00 0.00000e+00 2.44741e+02 56.969  7.56563e+01 56.969  0.9712 
1 1 1 12 16 9  o 11 2.53766e+02 2.20273e+01 8.39630e+01 132.477 -4.76978e+00 5.20954e+00  0.00000e+00 0.00000e+00 1.73782e+02 132.477 8.98191e+01 132.477 0.9262 
1 1 1 12 16 10 o 2  2.38892e+02 2.30170e+01 1.19511e+02 182.218 -1.00285e+01 -3.88466e-01 0.00000e+00 0.00000e+00 1.30230e+02 182.218 1.07186e+01 182.218 0.9488 
1 1 1 12 16 11 o 9  8.22993e+01 3.16503e+01 1.01449e+01 86.466  1.61467e-02  2.61418e-01  0.00000e+00 0.00000e+00 1.69228e+00 86.466  8.45264e+00 266.466 0.1298 
1 1 1 12 16 12 o 16 1.44908e+02 3.11958e+01 6.87495e+01 337.554 2.79759e+00  -1.15568e+00 0.00000e+00 0.00000e+00 6.23377e+01 337.554 6.41187e+00 157.555 0.8120 
1 1 1 12 16 13 o 7  1.75765e+02 2.88226e+01 6.13694e+01 298.040 1.95916e+00  -3.67837e+00 0.00000e+00 0.00000e+00 1.10011e+02 298.040 4.86416e+01 298.040 0.8697 
1 1 1 12 16 14 o 17 1.06476e+02 2.42318e+01 7.51553e+01 188.995 -3.57972e+00 -5.66650e-01 0.00000e+00 0.00000e+00 2.66900e+01 188.995 4.84653e+01 8.995   0.8473 
1 1 1 12 16 15 o 19 1.88153e+02 2.32520e+01 6.84075e+01 79.280  1.12953e+00  5.96666e+00  0.00000e+00 0.00000e+00 1.27034e+02 79.280  5.86260e+01 79.280  0.9135 
1 1 1 12 16 16 o 13 2.66473e+02 2.05408e+01 1.16156e+02 3.607   1.41409e+01  8.91524e-01  0.00000e+00 0.00000e+00 1.78252e+02 3.607   6.20961e+01 3.607   0.9640 
1 1 1 12 16 17 o 7  9.68833e+01 3.30865e+01 4.90418e+01 132.137 -1.58314e+00 1.74981e+00  0.00000e+00 0.00000e+00 3.47981e+01 132.137 1.42437e+01 312.137 0.7488 
1 1 1 12 16 18 o 13 1.25947e+02 3.87681e+01 6.39309e+01 144.822 -3.01165e+00 2.12273e+00  0.00000e+00 0.00000e+00 6.09094e+01 144.822 3.02153e+00 324.822 0.8502 
1 1 1 12 16 19 o 11 5.71532e+01 2.47287e+01 3.04674e+01 334.349 1.12353e+00  -5.39531e-01 0.00000e+00 0.00000e+00 4.97119e+00 334.349 2.54962e+01 154.349 0.5269 
1 1 1 12 16 20 o 9  7.99754e+01 2.83492e+01 2.78313e+01 283.075 3.70696e-01  -1.59612e+00 0.00000e+00 0.00000e+00 3.19117e+01 283.075 4.08042e+00 283.075 0.6286 
1 1 1 12 16 21 o 11 1.21944e+02 2.76729e+01 3.81046e+01 69.621  1.43570e+00  3.86490e+00  0.00000e+00 0.00000e+00 8.90075e+01 69.621  5.09029e+01 69.621  0.8681 
1 1 1 12 16 22 o 11 6.24816e+01 2.67408e+01 2.07346e+01 93.122  -6.71313e-02 1.23073e+00  0.00000e+00 0.00000e+00 1.89132e+01 93.122  1.82140e+00 273.122 0.5228 
1 1 1 12 16 23 f 0  9.43682e+01 3.34494e+01 6.92421e+01 279.436 8.57661e-01  -5.16033e+00 0.00000e+00 0.00000e+00 3.48543e+01 279.436 3.43877e+01 99.436  0.8985 
1 1 1 12 16 24 f 0  8.81019e+01 2.98717e+01 1.70293e+01 295.658 6.87524e-01  -1.43122e+00 0.00000e+00 0.00000e+00 5.05149e+01 295.658 3.34857e+01 295.658 0.6171 
1 1 1 12 16 25 o 16 1.27731e+02 2.71046e+01 3.73893e+01 126.339 -3.40925e+00 4.63453e+00  0.00000e+00 0.00000e+00 1.08548e+02 126.339 7.11586e+01 126.339 0.9083 
1 1 1 12 16 26 o 10 7.72568e+01 2.98943e+01 1.11399e+01 342.994 1.02399e+00  -3.13174e-01 0.00000e+00 0.00000e+00 3.52137e+01 342.994 2.40738e+01 342.994 0.4709 
1 1 1 12 16 27 o 8  5.34942e+01 2.45705e+01 1.87272e+01 91.116  -3.17161e-02 1.62793e+00  0.00000e+00 0.00000e+00 2.45316e+01 91.116  5.80435e+00 91.116  0.6263 
1 1 1 12 16 28 o 3  5.31091e+01 2.45241e+01 1.69335e+01 89.997  8.99387e-05  1.57867e+00  0.00000e+00 0.00000e+00 2.58290e+01 89.997  8.89544e+00 89.997  0.6150 
1 1 1 12 17 2  o 2  1.00402e+02 2.60748e+01 8.55552e+01 333.452 1.93722e+00  -9.67909e-01 0.00000e+00 0.00000e+00 6.08056e+00 153.452 9.16357e+01 153.452 0.7232 
1 1 1 12 17 3  o 19 1.09250e+02 2.22203e+01 6.62438e+01 354.057 1.85584e+00  -1.93192e-01 0.00000e+00 0.00000e+00 1.45129e+01 354.057 5.17308e+01 174.057 0.6745 
1 1 1 12 17 4  o 13 1.57743e+02 1.76409e+01 6.07459e+01 280.834 4.95118e-01  -2.58725e+00 0.00000e+00 0.00000e+00 7.41371e+01 280.834 1.33912e+01 280.834 0.7788 
1 1 1 12 17 5  o 19 1.77657e+02 1.72366e+01 1.07205e+02 250.154 -1.76985e+00 -4.90346e+00 0.00000e+00 0.00000e+00 6.83651e+01 250.154 3.88402e+01 70.154  0.8981 
1 1 1 12 17 6  o 19 9.79205e+01 2.48715e+01 6.48713e+01 170.009 -2.04691e+00 3.60591e-01  0.00000e+00 0.00000e+00 1.18701e+01 170.009 5.30012e+01 350.009 0.7102 
1 1 1 12 17 7  o 2  1.60542e+02 2.57179e+01 2.90908e+01 60.688  7.36026e-01  1.31097e+00  0.00000e+00 0.00000e+00 7.70117e+01 60.688  4.79209e+01 60.688  0.5970 
1 1 1 12 17 8  o 18 2.37845e+02 2.15637e+01 1.27971e+02 276.960 1.31982e+00  -1.08118e+01 0.00000e+00 0.00000e+00 1.23896e+02 276.960 4.07508e+00 96.960  0.9529 
1 1 1 12 17 9  o 4  1.82583e+02 2.51354e+01 9.43480e+01 182.096 -5.81380e+00 -2.12771e-01 0.00000e+00 0.00000e+00 9.09653e+01 182.096 3.38273e+00 2.096   0.9094 
1 1 1 12 17 10 o 11 3.82566e+02 2.13208e+01 1.13892e+02 88.471  3.91318e-01  1.46574e+01  0.00000e+00 0.00000e+00 3.00218e+02 88.471  1.86326e+02 88.471  0.9653 
1 1 1 12 17 11 o 7  2.72290e+02 2.28345e+01 1.08061e+02 33.579  1.00445e+01  6.66821e+00  0.00000e+00 0.00000e+00 1.85885e+02 33.579  7.78240e+01 33.579  0.9576 
1 1 1 12 17 12 o 4  8.24047e+01 3.22190e+01 1.24970e+01 39.681  2.92356e-01  2.42556e-01  0.00000e+00 0.00000e+00 4.93804e+00 39.681  7.55899e+00 219.681 0.1866 
1 1 1 12 17 13 o 14 7.60451e+01 2.92754e+01 2.49028e+01 83.519  9.04796e-02  7.96429e-01  0.00000e+00 0.00000e+00 7.35036e+00 83.519  1.75524e+01 263.519 0.3717 
1 1 1 12 17 14 o 12 7.40502e+01 2.91041e+01 2.47764e+01 280.510 1.32849e-01  -7.16102e-01 0.00000e+00 0.00000e+00 4.31654e+00 280.510 2.04599e+01 100.510 0.3420 
1 1 1 12 17 15 o 1  8.72037e+01 3.07035e+01 6.44811e+01 160.003 -2.13063e+00 7.75344e-01  0.00000e+00 0.00000e+00 9.91173e+00 160.003 5.45693e+01 340.003 0.7371 
1 1 1 12 17 16 o 7  1.16355e+02 2.51513e+01 4.09163e+01 44.454  1.95035e+00  1.91355e+00  0.00000e+00 0.00000e+00 6.60366e+01 44.454  2.51203e+01 44.454  0.7881 
1 1 1 12 17 17 o 15 1.51000e+02 2.95322e+01 1.13618e+02 309.841 6.47042e+00  -7.75487e+00 0.00000e+00 0.00000e+00 5.49428e+01 309.841 5.86754e+01 129.841 0.9491 
1 1 1 12 17 18 o 13 1.28033e+02 3.61664e+01 2.53657e+01 45.728  1.25562e+00  1.28796e+00  0.00000e+00 0.00000e+00 7.51735e+01 45.728  4.98078e+01 45.728  0.6618 
1 1 1 12 17 19 o 6  5.02373e+01 2.29203e+01 1.47034e+01 163.388 -5.95810e-01 1.77758e-01  0.00000e+00 0.00000e+00 3.15259e+00 163.388 1.15508e+01 343.388 0.2968 
1 1 1 12 17 20 o 7  7.02592e+01 2.72202e+01 1.29352e+01 52.440  4.99461e-01  6.49499e-01  0.00000e+00 0.00000e+00 1.92502e+01 52.440  6.31498e+00 52.440  0.3787 
1 1 1 12 17 21 o 8  6.12966e+01 2.61874e+01 4.32939e+01 62.964  1.12634e+00  2.20711e+00  0.00000e+00 0.00000e+00 1.38305e+01 62.964  2.94634e+01 242.964 0.7626 
1 1 1 12 17 22 o 18 1.15268e+02 3.43634e+01 7.37824e+01 235.926 -3.70572e+00 -5.47864e+00 0.00000e+00 0.00000e+00 5.73657e+01 235.926 1.64167e+01 55.926  0.9210 
1 1 1 12 17 23 o 12 1.33417e+02 2.68546e+01 5.22165e+01 164.857 -8.03524e+00 2.17452e+00  0.00000e+00 0.00000e+00 1.04131e+02 164.857 5.19144e+01 164.857 0.9379 
1 1 1 12 17 24 o 14 8.62750e+01 3.00269e+01 2.96753e+01 76.694  5.98341e-01  2.52991e+00  0.00000e+00 0.00000e+00 5.49134e+01 76.694  2.52382e+01 76.694  0.7754 
1 1 1 12 17 25 o 19 9.40727e+01 2.98529e+01 2.44012e+01 316.035 1.87412e+00  -1.80763e+00 0.00000e+00 0.00000e+00 6.90292e+01 316.035 4.46280e+01 316.035 0.7758 
1 1 1 12 17 26 o 5  5.62642e+01 2.54165e+01 1.64540e+01 51.439  8.76504e-01  1.09951e+00  0.00000e+00 0.00000e+00 2.52820e+01 51.439  8.82794e+00 51.439  0.5721 
1 1 1 12 17 27 o 6  5.27119e+01 2.45272e+01 8.88517e+00 215.212 -6.70882e-01 -4.73474e-01 0.00000e+00 0.00000e+00 1.73998e+01 215.212 8.51461e+00 215.212 0.3794 
1 1 1 12 18 1  o 10 1.25030e+02 2.75904e+01 1.85348e+01 174.050 -7.37232e-01 7.68384e-02  0.00000e+00 0.00000e+00 2.98520e+01 174.050 1.13171e+01 174.050 0.3473 
1 1 1 12 18 2  o 1  1.77625e+02 2.06193e+01 7.24828e+01 2.713   4.36656e+00  2.06952e-01  0.00000e+00 0.00000e+00 1.01125e+02 2.713   2.86418e+01 2.713   0.8764 
1 1 1 12 18 3  f 0  1.59242e+02 1.80563e+01 8.93924e+01 284.301 1.21264e+00  -4.75693e+00 0.00000e+00 0.00000e+00 6.90764e+01 284.301 2.03160e+01 104.301 0.8912 
1 1 1 12 18 4  o 5  1.11072e+02 2.33379e+01 6.42827e+01 294.347 1.04905e+00  -2.31832e+00 0.00000e+00 0.00000e+00 3.13539e+01 294.347 3.29288e+01 114.347 0.7698 
1 1 1 12 18 5  o 12 1.41904e+02 1.99166e+01 6.78247e+01 161.167 -3.32547e+00 1.13423e+00  0.00000e+00 0.00000e+00 6.60993e+01 161.167 1.72536e+00 341.167 0.8418 
1 1 1 12 18 6  o 8  4.00177e+02 1.60991e+01 1.12932e+02 110.828 -5.89917e+00 1.55065e+01  0.00000e+00 0.00000e+00 3.23181e+02 110.828 2.10248e+02 110.828 0.9694 
1 1 1 12 18 7  o 8  1.27236e+02 2.33448e+01 5.47756e+01 358.862 2.39608e+00  -4.75987e-02 0.00000e+00 0.00000e+00 5.33257e+01 358.862 1.44988e+00 178.862 0.7533 
1 1 1 12 18 8  o 4  3.02710e+02 2.09827e+01 8.84135e+01 151.472 -7.96947e+00 4.33220e+00  0.00000e+00 0.00000e+00 2.34830e+02 151.472 1.46416e+02 151.472 0.9432 
1 1 1 12 18 9  o 16 5.25567e+01 2.46393e+01 2.64806e+01 159.412 -5.26610e-01 1.97815e-01  0.00000e+00 0.00000e+00 1.03037e+01 339.412 3.67843e+01 339.412 0.2707 
1 1 1 12 18 10 o 3  2.22704e+02 2.42659e+01 9.79770e+01 349.659 8.81129e+00  -1.60772e+00 0.00000e+00 0.00000e+00 1.41811e+02 349.659 4.38336e+01 349.659 0.9424 
1 1 1 12 18 11 o 18 3.45141e+02 2.18163e+01 9.55336e+01 39.763  1.19399e+01  9.93504e+00  0.00000e+00 0.00000e+00 2.87909e+02 39.763  1.92375e+02 39.763  0.9673 
1 1 1 12 18 12 o 9  2.71734e+02 2.33261e+01 6.61377e+01 296.299 3.80237e+00  -7.69387e+00 0.00000e+00 0.00000e+00 2.28887e+02 296.299 1.62749e+02 296.299 0.9398 
1 1 1 12 18 13 o 6  1.46879e+02 2.54738e+01 6.33740e+01 218.094 -3.21405e+00 -2.51964e+00 0.00000e+00 0.00000e+00 8.46170e+01 218.094 2.12430e+01 218.094 0.8667 
1 1 1 12 18 14 o 2  1.72643e+02 2.20560e+01 1.11800e+02 42.481  7.98282e+00  7.31014e+00  0.00000e+00 0.00000e+00 8.07067e+01 42.481  3.10937e+01 222.481 0.9526 
1 1 1 12 18 15 o 11 1.39576e+02 2.65675e+01 6.44182e+01 345.445 4.87710e+00  -1.26631e+00 0.00000e+00 0.00000e+00 8.27570e+01 345.445 1.83388e+01 345.445 0.8943 
1 1 1 12 18 16 o 13 2.10611e+02 2.14130e+01 1.24778e+02 192.703 -1.76516e+01 -3.97903e+00 0.00000e+00 0.00000e+00 1.18487e+02 192.703 6.29068e+00 12.703  0.9720 
1 1 1 12 18 17 o 13 1.43182e+02 2.48726e+01 5.60575e+01 99.540  -1.02955e+00 6.12622e+00  0.00000e+00 0.00000e+00 1.01024e+02 99.540  4.49661e+01 99.540  0.9155 
1 1 1 12 18 18 o 1  1.24177e+02 2.52091e+01 5.61049e+01 319.594 4.23937e+00  -3.60871e+00 0.00000e+00 0.00000e+00 7.97625e+01 319.594 2.36576e+01 319.594 0.9051 
1 1 1 12 18 19 o 2  1.35618e+02 2.46314e+01 4.66856e+01 251.178 -1.99088e+00 -5.84071e+00 0.00000e+00 0.00000e+00 1.04724e+02 251.178 5.80388e+01 251.178 0.9149 
1 1 1 12 18 20 o 8  1.25736e+02 2.50169e+01 5.95742e+01 102.719 -1.59823e+00 7.08113e+00  0.00000e+00 0.00000e+00 8.42638e+01 102.719 2.46896e+01 102.719 0.9283 
1 1 1 12 18 21 o 11 5.66456e+01 2.49773e+01 2.19553e+01 73.278  3.65637e-01  1.21702e+00  0.00000e+00 0.00000e+00 1.57185e+01 73.278  6.23682e+00 253.278 0.5342 
1 1 1 12 18 22 o 5  8.37234e+01 2.84900e+01 5.47206e+01 271.982 1.77334e-01  -5.12556e+00 0.00000e+00 0.00000e+00 3.97312e+01 271.982 1.49894e+01 91.982  0.8963 
1 1 1 12 18 23 o 15 6.59443e+01 2.71008e+01 2.73115e+01 166.735 -1.99669e+00 4.70718e-01  0.00000e+00 0.00000e+00 3.19612e+01 166.735 4.64975e+00 166.735 0.7060 
1 1 1 12 18 24 o 7  1.15194e+02 2.89770e+01 4.49871e+01 53.621  3.67252e+00  4.98502e+00  0.00000e+00 0.00000e+00 9.08315e+01 53.621  4.58443e+01 53.621  0.9152 
1 1 1 12 18 25 o 17 5.50794e+01 2.51261e+01 1.46544e+01 57.092  6.76157e-01  1.04486e+00  0.00000e+00 0.00000e+00 2.31583e+01 57.092  8.50395e+00 57.092  0.5264 
1 1 1 12 18 26 o 10 7.06543e+01 2.85608e+01 1.16202e+01 89.778  4.46433e-03  1.15327e+00  0.00000e+00 0.00000e+00 3.48714e+01 89.778  2.32512e+01 89.778  0.4981 
1 1 1 12 19 1  f 0  1.66968e+02 3.56419e+01 6.48340e+01 317.147 2.41199e+00  -2.23765e+00 0.00000e+00 0.00000e+00 9.25476e+01 317.147 2.77135e+01 317.147 0.8293 
1 1 1 12 19 2  o 16 3.79867e+02 1.91488e+01 1.54188e+02 290.271 7.29445e+00  -1.97496e+01 0.00000e+00 0.00000e+00 2.67487e+02 290.271 1.13299e+02 290.271 0.9760 
1 1 1 12 19 3  o 2  6.01306e+01 2.42832e+01 2.09027e+01 174.553 -4.18268e-01 3.98865e-02  0.00000e+00 0.00000e+00 6.82480e+00 354.553 2.77275e+01 354.553 0.2056 
1 1 1 12 19 4  o 10 2.78829e+02 1.57424e+01 1.11813e+02 99.597  -1.85029e+00 1.09428e+01  0.00000e+00 0.00000e+00 1.91601e+02 99.597  7.97879e+01 99.597  0.9538 
1 1 1 12 19 5  o 10 1.17034e+02 2.33973e+01 3.71784e+01 44.380  1.03787e+00  1.01566e+00  0.00000e+00 0.00000e+00 4.09848e+01 44.380  3.80633e+00 44.380  0.5841 
1 1 1 12 19 6  o 17 2.38598e+02 1.64556e+01 1.11665e+02 230.971 -7.41728e+00 -9.15005e+00 0.00000e+00 0.00000e+00 1.50033e+02 230.971 3.83678e+01 230.971 0.9566 
1 1 1 12 19 7  o 18 6.23981e+01 2.69350e+01 2.97910e+01 313.406 5.13489e-01  -5.42878e-01 0.00000e+00 0.00000e+00 4.68431e+00 133.406 3.44753e+01 133.406 0.3498 
1 1 1 12 19 8  o 18 9.45726e+01 2.76026e+01 1.05864e+02 40.817  2.99572e+00  2.58742e+00  0.00000e+00 0.00000e+00 1.17371e+01 220.817 1.17601e+02 220.817 0.8619 
1 1 1 12 19 9  o 6  3.32325e+02 2.17034e+01 1.28336e+02 53.291  1.20889e+01  1.62129e+01  0.00000e+00 0.00000e+00 2.47412e+02 53.291  1.19076e+02 53.291  0.9750 
1 1 1 12 19 10 o 9  1.27863e+02 3.40311e+01 3.65082e+01 228.491 -1.26934e+00 -1.43425e+00 0.00000e+00 0.00000e+00 6.53101e+01 228.491 2.88019e+01 228.491 0.6834 
1 1 1 12 19 11 o 9  1.99103e+02 2.67223e+01 1.25310e+02 234.414 -5.98867e+00 -8.36933e+00 0.00000e+00 0.00000e+00 9.62928e+01 234.414 2.90176e+01 54.414  0.9501 
1 1 1 12 19 12 f 0  8.12962e+01 3.17889e+01 4.89707e+01 301.426 8.30848e-01  -1.35978e+00 0.00000e+00 0.00000e+00 1.02673e+01 301.426 3.87034e+01 121.426 0.6184 
1 1 1 12 19 13 o 16 6.19528e+01 2.78615e+01 2.42859e+01 329.100 7.14402e-01  -4.27561e-01 0.00000e+00 0.00000e+00 3.91816e+00 329.100 2.03677e+01 149.100 0.3839 
1 1 1 12 19 14 o 3  8.26493e+01 2.93670e+01 1.01882e+01 268.155 -1.51746e-02 -4.71049e-01 0.00000e+00 0.00000e+00 1.24404e+01 268.155 2.25223e+00 268.155 0.2293 
1 1 1 12 19 15 o 8  8.44525e+01 3.00420e+01 5.24705e+01 21.379  2.66751e+00  1.04428e+00  0.00000e+00 0.00000e+00 2.87242e+01 21.379  2.37463e+01 201.379 0.7995 
1 1 1 12 19 16 o 11 1.15333e+02 2.55990e+01 5.83146e+01 335.946 4.67308e+00  -2.08588e+00 0.00000e+00 0.00000e+00 6.69406e+01 335.946 8.62595e+00 335.946 0.8960 
1 1 1 12 19 17 o 6  5.34353e+01 2.56450e+01 2.75842e+01 132.613 -8.88255e-01 9.65532e-01  0.00000e+00 0.00000e+00 8.07971e+00 132.613 1.95045e+01 312.613 0.5461 
1 1 1 12 19 18 o 2  8.34012e+01 2.81143e+01 4.68661e+01 153.433 -2.99375e+00 1.49697e+00  0.00000e+00 0.00000e+00 3.87637e+01 153.433 8.10242e+00 333.433 0.8327 
1 1 1 12 19 19 o 10 6.40331e+01 2.63870e+01 3.17567e+01 96.046  -2.07068e-01 1.95496e+00  0.00000e+00 0.00000e+00 2.33982e+01 96.046  8.35855e+00 276.046 0.6921 
1 1 1 12 19 20 o 18 9.89806e+01 2.90089e+01 2.06003e+01 77.890  3.97790e-01  1.85387e+00  0.00000e+00 0.00000e+00 6.39878e+01 77.890  4.33875e+01 77.890  0.6799 
1 1 1 12 19 21 o 9  1.00174e+02 2.83919e+01 4.45408e+01 233.695 -2.96548e+00 -4.03624e+00 0.00000e+00 0.00000e+00 6.91340e+01 233.695 2.45933e+01 233.695 0.8936 
1 1 1 12 19 22 o 8  1.05649e+02 2.83489e+01 2.05702e+01 70.910  7.70619e-01  2.22665e+00  0.00000e+00 0.00000e+00 8.09356e+01 70.910  6.03654e+01 70.910  0.7484 
1 1 1 12 19 23 o 12 5.62728e+01 2.50560e+01 9.94993e+00 354.440 7.95346e-01  -7.74175e-02 0.00000e+00 0.00000e+00 1.71368e+01 354.440 7.18686e+00 354.440 0.3707 
1 1 1 12 19 24 o 14 5.96273e+01 2.59931e+01 7.03054e-01 249.981 -2.11612e-02 -5.80792e-02 0.00000e+00 0.00000e+00 1.71717e+00 249.981 1.01412e+00 249.981 0.0309 
1 1 1 12 19 25 o 19 5.77373e+01 2.57435e+01 1.19978e+01 37.325  8.57022e-01  6.53456e-01  0.00000e+00 0.00000e+00 2.43500e+01 37.325  1.23522e+01 37.325  0.4733 
1 1 1 12 20 1  o 13 1.10676e+02 3.85714e+01 7.77682e+01 208.459 -2.55377e+00 -1.38424e+00 0.00000e+00 0.00000e+00 2.53228e+01 208.459 5.24454e+01 28.459  0.8027 
1 1 1 12 20 2  o 12 4.67170e+01 2.19956e+01 2.29390e+01 39.055  3.56899e-01  2.89578e-01  0.00000e+00 0.00000e+00 1.07897e+01 219.055 3.37286e+01 219.055 0.2239 
1 1 1 12 20 3  o 1  7.53464e+01 2.70072e+01 2.36384e+01 89.165  1.04577e-02  7.17773e-01  0.00000e+00 0.00000e+00 5.94151e+00 89.165  1.76968e+01 269.165 0.3376 
1 1 1 12 20 4  o 16 4.65460e+01 2.12733e+01 1.28982e+01 26.046  2.31557e-01  1.13168e-01  0.00000e+00 0.00000e+00 5.96879e+00 206.046 1.88670e+01 206.046 0.1278 
1 1 1 12 20 5  o 16 5.45932e+01 2.33630e+01 1.82227e+01 56.267  2.59950e-01  3.89296e-01  0.00000e+00 0.00000e+00 3.69919e+00 236.267 2.19218e+01 236.267 0.2279 
1 1 1 12 20 6  o 14 6.41930e+01 2.51215e+01 7.19155e+01 347.362 2.05898e+00  -4.61686e-01 0.00000e+00 0.00000e+00 1.81781e+01 167.362 9.00936e+01 167.362 0.7151 
1 1 1 12 20 7  o 4  1.07922e+02 2.58520e+01 2.31479e+01 266.448 -7.25816e-02 -1.16929e+00 0.00000e+00 0.00000e+00 4.07242e+01 266.448 1.75763e+01 266.448 0.5039 
1 1 1 12 20 8  o 3  5.46375e+01 2.40148e+01 7.94421e+00 333.142 1.67348e-01  -8.47468e-02 0.00000e+00 0.00000e+00 1.92875e+00 153.142 9.87296e+00 153.142 0.0934 
1 1 1 12 20 9  f 0  1.16507e+02 3.31015e+01 5.91812e+01 36.628  2.19973e+00  1.63531e+00  0.00000e+00 0.00000e+00 4.96439e+01 36.628  9.53728e+00 216.628 0.7889 
1 1 1 12 20 10 o 12 7.54020e+01 3.07035e+01 1.39392e+01 162.270 -4.09159e-01 1.30818e-01  0.00000e+00 0.00000e+00 4.89778e+00 162.270 9.04143e+00 342.270 0.2100 
1 1 1 12 20 11 o 12 1.59312e+02 2.94942e+01 1.02239e+02 232.514 -5.35109e+00 -6.97726e+00 0.00000e+00 0.00000e+00 7.71247e+01 232.514 2.51142e+01 52.514  0.9413 
1 1 1 12 20 12 o 15 7.11351e+01 3.02634e+01 3.13656e+01 285.765 3.35585e-01  -1.18867e+00 0.00000e+00 0.00000e+00 1.34372e+01 285.765 1.79284e+01 105.765 0.5235 
1 1 1 12 20 13 o 3  1.06134e+02 3.46245e+01 5.45647e+01 90.375  -2.00917e-02 3.07321e+00  0.00000e+00 0.00000e+00 5.01883e+01 90.375  4.37632e+00 270.375 0.8153 
1 1 1 12 20 14 o 17 5.74891e+01 2.53541e+01 2.60879e+01 311.596 7.14313e-01  -8.04662e-01 0.00000e+00 0.00000e+00 7.03376e+00 311.596 1.90542e+01 131.596 0.4727 
1 1 1 12 20 15 f 0  5.54342e+01 2.50902e+01 3.28512e+01 252.513 -4.43549e-01 -1.40791e+00 0.00000e+00 0.00000e+00 7.31943e+00 252.513 2.55318e+01 72.513  0.5902 
1 1 1 12 20 16 o 9  6.91068e+01 2.99633e+01 3.79420e+01 61.490  9.82444e-01  1.80867e+00  0.00000e+00 0.00000e+00 2.25303e+01 61.490  1.54116e+01 241.490 0.7071 
1 1 1 12 20 17 o 7  9.71805e+01 3.06370e+01 1.47288e+01 224.093 -8.14349e-01 -7.88967e-01 0.00000e+00 0.00000e+00 4.49114e+01 224.093 3.01826e+01 224.093 0.4918 
1 1 1 12 20 18 o 8  7.73411e+01 2.75918e+01 2.38427e+01 298.624 8.20673e-01  -1.50371e+00 0.00000e+00 0.00000e+00 3.89157e+01 298.624 1.50731e+01 298.624 0.6446 
1 1 1 12 20 19 o 18 7.68999e+01 2.82073e+01 5.09659e+01 36.485  3.00657e+00  2.22350e+00  0.00000e+00 0.00000e+00 3.23573e+01 36.485  1.86086e+01 216.485 0.8527 
1 1 1 12 20 20 o 13 9.81069e+01 2.90509e+01 2.21546e+01 128.455 -1.47334e+00 1.85524e+00  0.00000e+00 0.00000e+00 7.22652e+01 128.455 5.01106e+01 128.455 0.7500 
1 1 1 12 20 21 o 2  7.29430e+01 2.78130e+01 2.95294e+01 245.794 -9.76531e-01 -2.17228e+00 0.00000e+00 0.00000e+00 4.15450e+01 245.794 1.20155e+01 245.794 0.7515 
1 1 1 12 20 22 o 9  7.45729e+01 2.81716e+01 1.05860e+01 59.845  4.89306e-01  8.42234e-01  0.00000e+00 0.00000e+00 3.21405e+01 59.845  2.15545e+01 59.845  0.4371 
1 1 1 12 20 23 o 13 8.10457e+01 2.95284e+01 3.33152e+01 40.374  2.55363e+00  2.17132e+00  0.00000e+00 0.00000e+00 5.61818e+01 40.374  2.28666e+01 40.374  0.8330 
1 1 1 12 20 24 o 8  7.05304e+01 2.86709e+01 1.70693e+01 156.464 -1.46926e+00 6.39954e-01  0.00000e+00 0.00000e+00 4.16390e+01 156.464 2.45697e+01 156.464 0.6205 
1 1 1 12 20 25 o 5  5.01096e+01 2.34783e+01 1.51216e+01 196.311 -1.33554e+00 -3.90823e-01 0.00000e+00 0.00000e+00 2.35460e+01 196.311 8.42445e+00 196.311 0.5682 
1 1 1 12 21 0  f 0  3.76826e+01 2.65611e+01 2.01522e+00 0.000   1.96729e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.13629e+00 180.000 3.15152e+00 180.000 0.0197 
1 1 1 12 21 1  o 2  1.64457e+02 3.77003e+01 9.25916e+01 337.602 5.48916e+00  -2.26228e+00 0.00000e+00 0.00000e+00 8.51781e+01 337.602 7.41348e+00 157.602 0.9114 
1 1 1 12 21 2  o 6  2.33093e+02 1.77194e+01 8.94435e+01 82.486  1.42643e+00  1.08150e+01  0.00000e+00 0.00000e+00 1.74227e+02 82.486  8.47835e+01 82.486  0.9530 
1 1 1 12 21 3  o 6  2.00144e+02 1.84288e+01 6.17963e+01 178.217 -6.40004e+00 1.99271e-01  0.00000e+00 0.00000e+00 1.56612e+02 178.217 9.48154e+01 178.217 0.9182 
1 1 1 12 21 4  o 1  1.60180e+02 2.03996e+01 9.73374e+01 246.418 -2.83363e+00 -6.49138e+00 0.00000e+00 0.00000e+00 7.93404e+01 246.418 1.79971e+01 66.418  0.9264 
1 1 1 12 21 5  o 14 2.05497e+02 2.23936e+01 8.37808e+01 332.932 6.77587e+00  -3.46258e+00 0.00000e+00 0.00000e+00 1.44701e+02 332.932 6.09198e+01 332.932 0.9318 
1 1 1 12 21 6  o 18 7.85193e+01 2.71382e+01 4.48476e+01 60.972  7.45761e-01  1.34385e+00  0.00000e+00 0.00000e+00 1.20072e+01 60.972  3.28404e+01 240.972 0.6051 
1 1 1 12 21 7  o 6  1.50114e+02 2.13320e+01 5.08398e+01 159.719 -3.35028e+00 1.23806e+00  0.00000e+00 0.00000e+00 1.01399e+02 159.719 5.05590e+01 159.719 0.8448 
1 1 1 12 21 8  o 17 6.52109e+01 2.60925e+01 4.73531e+01 244.578 -7.09308e-01 -1.49231e+00 0.00000e+00 0.00000e+00 2.27953e+00 244.578 4.50736e+01 64.578  0.6316 
1 1 1 12 21 9  o 13 9.27922e+01 2.84921e+01 1.60227e+01 30.761  7.03889e-01  4.18953e-01  0.00000e+00 0.00000e+00 2.65013e+01 30.761  1.04787e+01 30.761  0.3787 
1 1 1 12 21 10 o 2  8.28100e+01 3.23435e+01 1.16350e+01 292.899 1.99293e-01  -4.71826e-01 0.00000e+00 0.00000e+00 1.33438e+01 292.899 1.70876e+00 292.899 0.2480 
1 1 1 12 21 11 o 9  6.58741e+01 2.87375e+01 4.15746e+01 76.092  3.98578e-01  1.60962e+00  0.00000e+00 0.00000e+00 9.39293e+00 76.092  3.21817e+01 256.092 0.6329 
1 1 1 12 21 12 o 13 7.44448e+01 3.11259e+01 4.32687e+01 111.742 -7.52494e-01 1.88691e+00  0.00000e+00 0.00000e+00 2.10712e+01 111.742 2.21975e+01 291.742 0.7029 
1 1 1 12 21 13 o 3  5.55271e+01 2.59658e+01 6.03746e+01 279.319 4.11650e-01  -2.50870e+00 0.00000e+00 0.00000e+00 7.50178e+00 99.319  6.78764e+01 99.319  0.7695 
1 1 1 12 21 14 o 19 1.14977e+02 2.91712e+01 3.90400e+01 334.852 3.28327e+00  -1.54136e+00 0.00000e+00 0.00000e+00 8.23566e+01 334.852 4.33166e+01 334.852 0.8475 
1 1 1 12 21 15 o 10 4.81197e+01 2.28080e+01 5.66458e+00 16.413  2.71337e-01  7.99274e-02  0.00000e+00 0.00000e+00 2.79222e+00 16.413  2.87237e+00 196.413 0.1400 
1 1 1 12 21 16 o 11 7.15638e+01 3.11790e+01 4.17751e+01 148.006 -2.04353e+00 1.27663e+00  0.00000e+00 0.00000e+00 2.65461e+01 148.006 1.52289e+01 328.006 0.7548 
1 1 1 12 21 17 o 8  5.09517e+01 2.42739e+01 1.86690e+01 193.043 -9.79637e-01 -2.26944e-01 0.00000e+00 0.00000e+00 1.04678e+01 193.043 8.20118e+00 13.043  0.4484 
1 1 1 12 21 18 o 11 6.15273e+01 2.58656e+01 2.42061e+01 7.030   1.52453e+00  1.87993e-01  0.00000e+00 0.00000e+00 2.36852e+01 7.030   5.20859e-01 187.030 0.6049 
1 1 1 12 21 19 o 9  5.24819e+01 2.39036e+01 3.29776e+01 336.938 2.13952e+00  -9.10914e-01 0.00000e+00 0.00000e+00 1.77757e+01 336.938 1.52020e+01 156.938 0.7446 
1 1 1 12 21 20 o 2  1.03786e+02 2.93824e+01 3.03708e+01 217.479 -2.58984e+00 -1.98573e+00 0.00000e+00 0.00000e+00 8.23060e+01 217.479 5.19352e+01 217.479 0.8277 
1 1 1 12 21 21 o 9  7.89575e+01 2.84145e+01 3.01483e+01 126.740 -1.73060e+00 2.31837e+00  0.00000e+00 0.00000e+00 5.37467e+01 126.740 2.35983e+01 126.740 0.8018 
1 1 1 12 21 22 o 9  6.73053e+01 2.72939e+01 8.09908e+00 300.892 3.83995e-01  -6.41819e-01 0.00000e+00 0.00000e+00 2.34633e+01 300.892 1.53643e+01 300.892 0.3500 
1 1 1 12 21 23 o 19 5.98184e+01 2.58369e+01 1.31785e+01 318.539 9.08656e-01  -8.02814e-01 0.00000e+00 0.00000e+00 2.86969e+01 318.539 1.55184e+01 318.539 0.5166 
1 1 1 12 21 24 o 14 4.89922e+01 2.29422e+01 1.05845e+01 16.742  9.38196e-01  2.82223e-01  0.00000e+00 0.00000e+00 1.89163e+01 16.742  8.33186e+00 16.742  0.4392 
1 1 1 12 22 0  o 12 5.20655e+01 3.40730e+01 3.00606e+01 180.000 -3.56211e-01 0.00000e+00  0.00000e+00 0.00000e+00 8.46468e+00 0.000   3.85253e+01 0.000   0.3419 
1 1 1 12 22 2  o 14 7.81548e+01 3.11028e+01 4.19586e+01 106.262 -4.53911e-01 1.55610e+00  0.00000e+00 0.00000e+00 1.73315e+01 106.262 2.46270e+01 286.262 0.6246 
1 1 1 12 22 3  o 4  1.09051e+02 2.92887e+01 3.41747e+01 80.939  2.99296e-01  1.87677e+00  0.00000e+00 0.00000e+00 5.60970e+01 80.939  2.19223e+01 80.939  0.6807 
1 1 1 12 22 4  o 11 6.48560e+01 2.57714e+01 5.39311e+01 311.469 1.25257e+00  -1.41733e+00 0.00000e+00 0.00000e+00 2.75914e-01 131.469 5.42070e+01 131.469 0.6791 
1 1 1 12 22 5  o 19 8.18606e+01 2.67947e+01 2.18298e+01 290.268 3.54931e-01  -9.61176e-01 0.00000e+00 0.00000e+00 2.36507e+01 290.268 1.82089e+00 290.268 0.4550 
1 1 1 12 22 6  o 5  1.50427e+02 2.04378e+01 2.96999e+01 223.925 -2.05116e+00 -1.97557e+00 0.00000e+00 0.00000e+00 1.17284e+02 223.925 8.75840e+01 223.925 0.7981 
1 1 1 12 22 7  o 16 8.54214e+01 2.69170e+01 5.09994e+01 119.146 -1.26575e+00 2.26985e+00  0.00000e+00 0.00000e+00 3.03557e+01 119.146 2.06437e+01 299.146 0.7753 
1 1 1 12 22 8  o 9  1.25520e+02 2.52788e+01 5.22582e+01 27.381  3.81996e+00  1.97844e+00  0.00000e+00 0.00000e+00 8.30399e+01 27.381  3.07817e+01 27.381  0.8742 
1 1 1 12 22 9  o 4  1.01055e+02 3.08724e+01 4.42655e+01 205.609 -2.33153e+00 -1.11755e+00 0.00000e+00 0.00000e+00 5.25897e+01 205.609 8.32427e+00 205.609 0.7740 
1 1 1 12 22 10 o 17 1.04118e+02 2.82441e+01 5.54908e+01 312.860 2.65806e+00  -2.86442e+00 0.00000e+00 0.00000e+00 5.59059e+01 312.860 4.15019e-01 312.860 0.8599 
1 1 1 12 22 11 o 16 9.57383e+01 3.44743e+01 1.31964e+01 30.050  6.96193e-01  4.02758e-01  0.00000e+00 0.00000e+00 3.14469e+01 30.050  1.82506e+01 30.050  0.3728 
1 1 1 12 22 12 o 6  5.91679e+01 2.70630e+01 2.03023e+01 97.936  -1.42959e-01 1.02552e+00  0.00000e+00 0.00000e+00 1.38520e+01 97.936  6.45029e+00 277.936 0.4588 
1 1 1 12 22 13 o 12 6.61483e+01 2.92947e+01 3.00044e+01 343.297 1.62174e+00  -4.86633e-01 0.00000e+00 0.00000e+00 2.36282e+01 343.297 6.37624e+00 163.297 0.6404 
1 1 1 12 22 14 o 7  5.46983e+01 2.50704e+01 3.09735e+01 301.764 8.37683e-01  -1.35293e+00 0.00000e+00 0.00000e+00 1.21105e+01 301.764 1.88630e+01 121.764 0.6179 
1 1 1 12 22 15 o 14 6.95997e+01 2.84986e+01 2.04002e+01 176.157 -1.28072e+00 8.60401e-02  0.00000e+00 0.00000e+00 2.76751e+01 176.157 7.27487e+00 176.157 0.5379 
1 1 1 12 22 16 o 11 9.72560e+01 3.64401e+01 5.24900e+01 159.423 -3.34933e+00 1.25739e+00  0.00000e+00 0.00000e+00 5.38744e+01 159.423 1.38438e+00 159.423 0.8451 
1 1 1 12 22 17 o 18 5.31345e+01 2.47363e+01 2.89661e+01 356.147 1.80904e+00  -1.21842e-01 0.00000e+00 0.00000e+00 1.71156e+01 356.147 1.18505e+01 176.147 0.6646 
1 1 1 12 22 18 o 5  7.27118e+01 2.77951e+01 2.60361e+01 298.941 1.02302e+00  -1.85004e+00 0.00000e+00 0.00000e+00 4.24723e+01 298.941 1.64362e+01 298.941 0.7156 
1 1 1 12 22 19 o 8  5.56721e+01 2.48654e+01 1.30980e+01 178.629 -9.60560e-01 2.29915e-02  0.00000e+00 0.00000e+00 1.88878e+01 178.629 5.78983e+00 178.629 0.4323 
1 1 1 12 22 20 o 9  5.65959e+01 2.49014e+01 4.99172e+00 93.374  -2.33228e-02 3.95634e-01  0.00000e+00 0.00000e+00 9.77140e+00 93.374  4.77968e+00 93.374  0.1944 
1 1 1 12 22 21 o 9  6.03198e+01 2.60535e+01 2.38949e+01 154.814 -1.89563e+00 8.91454e-01  0.00000e+00 0.00000e+00 3.44023e+01 154.814 1.05074e+01 154.814 0.7127 
1 1 1 12 22 22 o 18 4.81784e+01 2.25392e+01 6.76503e+00 106.198 -1.67058e-01 5.75080e-01  0.00000e+00 0.00000e+00 1.21731e+01 106.198 5.40804e+00 106.198 0.2868 
1 1 1 12 22 23 o 7  6.00995e+01 2.58485e+01 1.26483e+01 308.471 7.50704e-01  -9.44745e-01 0.00000e+00 0.00000e+00 3.02504e+01 308.471 1.76021e+01 308.471 0.5148 
1 1 1 12 23 0  o 11 6.88223e+01 4.04405e+01 1.81064e+01 0.000   3.60631e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.14665e+01 0.000   6.63997e+00 180.000 0.3458 
1 1 1 12 23 1  o 16 2.01575e+02 2.50628e+01 9.40904e+01 161.578 -1.11724e+01 3.72140e+00  0.00000e+00 0.00000e+00 1.45590e+02 161.578 5.14991e+01 161.578 0.9565 
1 1 1 12 23 2  o 11 1.20919e+02 3.26759e+01 6.26942e+01 245.103 -1.69213e+00 -3.64582e+00 0.00000e+00 0.00000e+00 6.73100e+01 245.103 4.61579e+00 245.103 0.8643 
1 1 1 12 23 3  o 8  3.24487e+02 1.69699e+01 1.28776e+02 312.536 2.01163e+01  -2.19254e+01 0.00000e+00 0.00000e+00 2.68540e+02 312.536 1.39765e+02 312.536 0.9831 
1 1 1 12 23 4  o 18 1.12381e+02 2.61387e+01 4.18522e+01 337.520 2.80958e+00  -1.16263e+00 0.00000e+00 0.00000e+00 7.21428e+01 337.520 3.02906e+01 337.520 0.8129 
1 1 1 12 23 5  o 5  2.00719e+02 1.84631e+01 1.10247e+02 138.964 -1.24697e+01 1.08537e+01  0.00000e+00 0.00000e+00 1.33056e+02 138.964 2.28088e+01 138.964 0.9693 
1 1 1 12 23 6  o 5  1.54151e+02 2.43319e+01 4.52967e+01 125.467 -3.02945e+00 4.25238e+00  0.00000e+00 0.00000e+00 1.28353e+02 125.467 8.30566e+01 125.467 0.8983 
1 1 1 12 23 7  o 13 6.10613e+01 2.48167e+01 7.18205e+01 300.731 1.64856e+00  -2.77310e+00 0.00000e+00 0.00000e+00 8.40760e+00 120.731 8.02281e+01 120.731 0.8254 
1 1 1 12 23 8  o 14 6.15508e+01 2.51931e+01 3.35184e+01 101.417 -3.18587e-01 1.57758e+00  0.00000e+00 0.00000e+00 1.48365e+01 101.417 1.86819e+01 281.417 0.6220 
1 1 1 12 23 9  o 2  6.84655e+01 2.71808e+01 1.61654e+01 349.974 8.44016e-01  -1.49221e-01 0.00000e+00 0.00000e+00 1.80043e+01 349.974 1.83896e+00 349.974 0.3935 
1 1 1 12 23 10 o 10 6.35200e+01 2.62875e+01 2.96387e+01 14.017  1.61011e+00  4.01953e-01  0.00000e+00 0.00000e+00 2.16189e+01 14.017  8.01980e+00 194.017 0.6332 
1 1 1 12 23 11 o 10 1.10752e+02 3.65543e+01 6.27109e+01 185.448 -4.67449e+00 -4.45859e-01 0.00000e+00 0.00000e+00 6.29855e+01 185.448 2.74661e-01 185.448 0.8858 
1 1 1 12 23 12 o 4  6.65572e+01 3.16067e+01 1.26219e+01 265.679 -4.86672e-02 -6.44123e-01 0.00000e+00 0.00000e+00 1.37294e+01 265.679 1.10753e+00 265.679 0.3072 
1 1 1 12 23 13 o 17 7.41878e+01 3.15582e+01 5.79217e+01 319.885 2.68657e+00  -2.26349e+00 0.00000e+00 0.00000e+00 2.30656e+01 319.885 3.48562e+01 139.885 0.8418 
1 1 1 12 23 14 o 11 7.48258e+01 3.18574e+01 4.16678e+01 189.702 -2.51404e+00 -4.29817e-01 0.00000e+00 0.00000e+00 3.35986e+01 189.702 8.06928e+00 9.702   0.7704 
1 1 1 12 23 15 o 5  5.55926e+01 2.62175e+01 2.82252e+01 117.015 -7.96446e-01 1.56209e+00  0.00000e+00 0.00000e+00 1.95098e+01 117.015 8.71543e+00 297.015 0.6528 
1 1 1 12 23 16 f 0  9.21662e+01 3.48195e+01 1.92150e+01 3.731   1.51239e+00  9.86355e-02  0.00000e+00 0.00000e+00 5.40867e+01 3.731   3.48717e+01 3.731   0.6000 
1 1 1 12 23 17 o 12 7.65653e+01 3.00226e+01 2.24876e+01 71.704  5.44603e-01  1.64714e+00  0.00000e+00 0.00000e+00 4.39394e+01 71.704  2.14517e+01 71.704  0.6491 
1 1 1 12 23 18 o 15 6.23848e+01 2.73505e+01 1.44767e+01 182.403 -1.14973e+00 -4.82505e-02 0.00000e+00 0.00000e+00 2.73567e+01 182.403 1.28799e+01 182.403 0.4973 
1 1 1 12 23 19 o 12 5.21646e+01 2.38610e+01 3.10068e+01 196.083 -2.27850e+00 -6.56919e-01 0.00000e+00 0.00000e+00 2.22643e+01 196.083 8.74247e+00 16.083  0.7502 
1 1 1 12 23 20 o 13 6.32239e+01 2.63791e+01 8.84159e+00 72.267  2.41740e-01  7.55983e-01  0.00000e+00 0.00000e+00 2.31896e+01 72.267  1.43480e+01 72.267  0.3686 
1 1 1 12 23 21 o 19 5.54870e+01 2.46346e+01 1.43573e+01 346.317 1.32053e+00  -3.21483e-01 0.00000e+00 0.00000e+00 2.87478e+01 346.317 1.43905e+01 346.317 0.5593 
1 1 1 12 24 0  o 13 6.66422e+01 3.98749e+01 2.23648e+01 0.000   5.42461e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.96577e+01 0.000   2.70714e+00 180.000 0.4948 
1 1 1 12 24 1  o 7  6.45760e+01 2.77751e+01 1.60253e+01 67.199  2.95032e-01  7.01826e-01  0.00000e+00 0.00000e+00 1.32353e+01 67.199  2.78999e+00 247.199 0.3555 
1 1 1 12 24 2  o 16 6.35056e+01 2.76348e+01 5.15903e+01 246.635 -9.58290e-01 -2.21820e+00 0.00000e+00 0.00000e+00 9.61556e+00 246.635 4.19747e+01 66.635  0.7556 
1 1 1 12 24 3  o 16 8.50044e+01 2.88168e+01 4.43418e+01 271.398 6.56186e-02  -2.68951e+00 0.00000e+00 0.00000e+00 4.07949e+01 271.398 3.54696e+00 91.398  0.7842 
1 1 1 12 24 4  o 8  9.42938e+01 2.80118e+01 3.75061e+01 143.124 -2.15706e+00 1.61817e+00  0.00000e+00 0.00000e+00 5.71714e+01 143.124 1.96653e+01 143.124 0.7848 
1 1 1 12 24 5  f 0  7.51835e+01 2.72544e+01 3.72811e+01 107.912 -6.68778e-01 2.06905e+00  0.00000e+00 0.00000e+00 3.25619e+01 107.912 4.71921e+00 287.912 0.7244 
1 1 1 12 24 6  o 4  8.14445e+01 2.71441e+01 4.77052e+01 353.356 3.33529e+00  -3.88519e-01 0.00000e+00 0.00000e+00 3.95670e+01 353.356 8.13825e+00 173.356 0.8333 
1 1 1 12 24 7  o 14 1.01790e+02 2.61967e+01 2.12581e+01 65.951  7.80479e-01  1.74899e+00  0.00000e+00 0.00000e+00 6.84796e+01 65.951  4.72215e+01 65.951  0.6834 
1 1 1 12 24 8  o 2  5.47007e+01 2.38673e+01 1.84619e+01 272.439 4.36755e-02  -1.02522e+00 0.00000e+00 0.00000e+00 1.38101e+01 272.439 4.65172e+00 92.439  0.4556 
1 1 1 12 24 9  o 11 9.75505e+01 3.12421e+01 5.61874e+01 309.543 2.72235e+00  -3.29748e+00 0.00000e+00 0.00000e+00 5.46159e+01 309.543 1.57150e+00 129.543 0.8734 
1 1 1 12 24 10 o 14 5.93917e+01 2.55704e+01 1.64633e+01 126.859 -5.67852e-01 7.57427e-01  0.00000e+00 0.00000e+00 1.66908e+01 126.859 2.27556e-01 126.859 0.4272 
1 1 1 12 24 11 o 9  6.75690e+01 2.74400e+01 1.27036e+01 88.177  2.55958e-02  8.04214e-01  0.00000e+00 0.00000e+00 2.03994e+01 88.177  7.69579e+00 88.177  0.3729 
1 1 1 12 24 12 o 9  4.45219e+01 2.20604e+01 2.44914e+01 298.593 5.96085e-01  -1.09360e+00 0.00000e+00 0.00000e+00 6.49176e+00 298.593 1.79997e+01 118.593 0.5266 
1 1 1 12 24 13 o 14 5.61635e+01 2.64474e+01 3.45910e+01 147.341 -1.65729e+00 1.06227e+00  0.00000e+00 0.00000e+00 1.71298e+01 147.341 1.74612e+01 327.341 0.6925 
1 1 1 12 24 14 o 17 5.29997e+01 2.51639e+01 2.42814e+01 151.017 -1.43598e+00 7.95418e-01  0.00000e+00 0.00000e+00 2.03673e+01 151.017 3.91411e+00 331.017 0.6292 
1 1 1 12 24 15 o 5  5.45897e+01 2.60494e+01 1.70682e+01 79.060  2.11309e-01  1.09321e+00  0.00000e+00 0.00000e+00 1.86496e+01 79.060  1.58136e+00 79.060  0.4851 
1 1 1 12 24 16 f 0  6.39486e+01 2.72896e+01 3.05323e+01 319.207 1.74594e+00  -1.50668e+00 0.00000e+00 0.00000e+00 3.39777e+01 319.207 3.44543e+00 319.207 0.7422 
1 1 1 12 24 17 o 14 5.38807e+01 2.49546e+01 1.15503e+01 47.115  5.91061e-01  6.36401e-01  0.00000e+00 0.00000e+00 1.78326e+01 47.115  6.28230e+00 47.115  0.3979 
1 1 1 12 24 18 o 7  6.53805e+01 2.87788e+01 1.64356e+01 113.052 -5.32250e-01 1.25077e+00  0.00000e+00 0.00000e+00 3.41352e+01 113.052 1.76996e+01 113.052 0.5594 
1 1 1 12 24 19 o 14 5.62094e+01 2.59455e+01 2.09541e+01 204.867 -1.57504e+00 -7.30024e-01 0.00000e+00 0.00000e+00 2.99846e+01 204.867 9.03046e+00 204.867 0.6493 
1 1 1 12 24 20 o 8  4.41309e+01 2.11823e+01 1.56262e+01 104.840 -3.68282e-01 1.38992e+00  0.00000e+00 0.00000e+00 2.04763e+01 104.840 4.85010e+00 104.840 0.5804 
1 1 1 12 25 0  o 4  3.99465e+01 2.68708e+01 1.42137e+00 180.000 -3.37069e-02 0.00000e+00  0.00000e+00 0.00000e+00 3.39138e-01 180.000 1.08223e+00 0.000   0.0337 
1 1 1 12 25 1  o 3  7.88340e+01 3.02977e+01 3.95457e+01 244.922 -1.09486e+00 -2.33965e+00 0.00000e+00 0.00000e+00 4.02590e+01 244.922 7.13263e-01 244.922 0.7737 
1 1 1 12 25 2  o 4  5.51161e+01 2.51791e+01 1.29196e+01 3.487   6.95336e-01  4.23711e-02  0.00000e+00 0.00000e+00 1.08052e+01 3.487   2.11441e+00 183.487 0.3288 
1 1 1 12 25 3  o 16 1.00845e+02 3.21665e+01 7.09689e+01 130.832 -3.63710e+00 4.20884e+00  0.00000e+00 0.00000e+00 4.86740e+01 130.832 2.22949e+01 310.832 0.9050 
1 1 1 12 25 4  o 11 6.63848e+01 2.66208e+01 9.78915e+00 69.229  2.14291e-01  5.64979e-01  0.00000e+00 0.00000e+00 1.54176e+01 69.229  5.62843e+00 69.229  0.2891 
1 1 1 12 25 5  o 10 7.88714e+01 2.74966e+01 5.76156e+01 270.079 5.48773e-03  -3.99612e+00 0.00000e+00 0.00000e+00 3.20162e+01 270.079 2.55994e+01 90.079  0.8634 
1 1 1 12 25 6  o 1  4.97354e+01 2.24290e+01 1.25976e+01 159.669 -6.02980e-01 2.23415e-01  0.00000e+00 0.00000e+00 7.48838e+00 159.669 5.10925e+00 339.669 0.3060 
1 1 1 12 25 7  o 12 6.18399e+01 2.52490e+01 1.95840e+01 34.541  9.76231e-01  6.71974e-01  0.00000e+00 0.00000e+00 2.20301e+01 34.541  2.44608e+00 34.541  0.5082 
1 1 1 12 25 8  o 10 6.24434e+01 2.55120e+01 2.30927e+01 22.778  1.33230e+00  5.59459e-01  0.00000e+00 0.00000e+00 2.52359e+01 22.778  2.14324e+00 22.778  0.5822 
1 1 1 12 25 9  o 6  6.77018e+01 2.66893e+01 2.46891e+01 257.245 -3.61244e-01 -1.59585e+00 0.00000e+00 0.00000e+00 3.20747e+01 257.245 7.38561e+00 257.245 0.6280 
1 1 1 12 25 10 o 1  7.10015e+01 2.73503e+01 5.14864e+01 213.518 -3.00231e+00 -1.98857e+00 0.00000e+00 0.00000e+00 2.91085e+01 213.518 2.23779e+01 33.518  0.8462 
1 1 1 12 25 11 o 15 8.35292e+01 2.94589e+01 1.60381e+01 9.758   1.29591e+00  2.22873e-01  0.00000e+00 0.00000e+00 4.55704e+01 9.758   2.95323e+01 9.758   0.5469 
1 1 1 12 25 12 o 12 5.53643e+01 2.54838e+01 1.39988e+01 9.677   9.58880e-01  1.63509e-01  0.00000e+00 0.00000e+00 1.87904e+01 9.677   4.79158e+00 9.677   0.4366 
1 1 1 12 25 13 o 15 7.98657e+01 3.26832e+01 4.60376e+01 142.820 -2.65394e+00 2.01299e+00  0.00000e+00 0.00000e+00 4.46347e+01 142.820 1.40289e+00 322.820 0.8318 
1 1 1 12 25 14 o 7  7.88767e+01 3.27995e+01 4.03579e+01 19.714  2.78675e+00  9.98583e-01  0.00000e+00 0.00000e+00 4.71194e+01 19.714  6.76149e+00 19.714  0.8070 
1 1 1 12 25 15 o 5  7.45556e+01 3.18489e+01 8.78234e+00 288.580 2.13535e-01  -6.35236e-01 0.00000e+00 0.00000e+00 2.39954e+01 288.580 1.52131e+01 288.580 0.3176 
1 1 1 12 25 16 o 16 4.79140e+01 2.28360e+01 1.89625e+01 101.131 -3.03230e-01 1.54118e+00  0.00000e+00 0.00000e+00 2.20260e+01 101.131 3.06348e+00 101.131 0.6131 
1 1 1 12 25 17 o 19 5.09658e+01 2.40757e+01 2.54163e+01 223.976 -1.48307e+00 -1.43101e+00 0.00000e+00 0.00000e+00 2.53153e+01 223.976 1.01068e-01 43.976  0.7075 
1 1 1 12 25 18 o 17 7.22539e+01 3.31356e+01 1.64522e+01 232.998 -7.38479e-01 -9.79928e-01 0.00000e+00 0.00000e+00 3.69860e+01 232.998 2.05338e+01 232.998 0.5211 
1 1 1 12 25 19 o 19 8.27575e+01 3.18303e+01 1.88883e+01 18.789  1.66888e+00  5.67764e-01  0.00000e+00 0.00000e+00 5.87372e+01 18.789  3.98490e+01 18.789  0.6547 
1 1 1 12 26 0  o 1  4.00340e+01 2.70862e+01 1.15518e+01 0.000   2.87679e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.51415e+00 0.000   8.03769e+00 180.000 0.2800 
1 1 1 12 26 1  o 1  6.35387e+01 2.77423e+01 4.13515e+01 222.029 -1.81580e+00 -1.63661e+00 0.00000e+00 0.00000e+00 2.34677e+01 222.029 1.78837e+01 42.029  0.7588 
1 1 1 12 26 2  o 3  7.07955e+01 2.94014e+01 4.50010e+01 92.013  -9.82019e-02 2.79382e+00  0.00000e+00 0.00000e+00 3.05936e+01 92.013  1.44073e+01 272.013 0.7937 
1 1 1 12 26 3  o 5  8.38307e+01 3.14251e+01 2.69568e+01 22.634  1.70360e+00  7.10340e-01  0.00000e+00 0.00000e+00 4.87898e+01 22.634  2.18331e+01 22.634  0.6707 
1 1 1 12 26 4  o 1  4.65798e+01 2.17475e+01 2.86942e+01 121.293 -7.89129e-01 1.29826e+00  0.00000e+00 0.00000e+00 9.07524e+00 121.293 1.96190e+01 301.293 0.6009 
1 1 1 12 26 5  o 15 6.79289e+01 2.68992e+01 4.49795e+01 356.496 2.96305e+00  -1.81432e-01 0.00000e+00 0.00000e+00 2.92238e+01 356.496 1.57557e+01 176.496 0.8076 
1 1 1 12 26 6  o 17 6.17658e+01 2.56375e+01 2.00038e+01 251.399 -4.14033e-01 -1.23019e+00 0.00000e+00 0.00000e+00 2.54089e+01 251.399 5.40513e+00 251.399 0.5421 
1 1 1 12 26 7  o 18 7.51008e+01 2.72619e+01 1.19328e+01 146.683 -7.38413e-01 4.85367e-01  0.00000e+00 0.00000e+00 2.93178e+01 146.683 1.73850e+01 146.683 0.4036 
1 1 1 12 26 8  o 7  8.97199e+01 2.80987e+01 2.22267e+01 268.763 -4.44831e-02 -2.06005e+00 0.00000e+00 0.00000e+00 6.44734e+01 268.763 4.22467e+01 268.763 0.7075 
1 1 1 12 26 9  o 4  6.10281e+01 2.55112e+01 1.90059e+01 115.031 -6.15097e-01 1.31724e+00  0.00000e+00 0.00000e+00 2.99266e+01 115.031 1.09207e+01 115.031 0.5845 
1 1 1 12 26 10 o 3  5.04809e+01 2.30207e+01 1.02162e+01 347.982 6.87019e-01  -1.46262e-01 0.00000e+00 0.00000e+00 1.28285e+01 347.982 2.61228e+00 347.982 0.3312 
1 1 1 12 26 11 o 13 6.51466e+01 2.68195e+01 1.75155e+01 113.955 -5.29538e-01 1.19189e+00  0.00000e+00 0.00000e+00 3.15826e+01 113.955 1.40672e+01 113.955 0.5439 
1 1 1 12 26 12 o 13 5.90349e+01 2.59499e+01 1.15503e+01 102.509 -1.84158e-01 8.30084e-01  0.00000e+00 0.00000e+00 2.06073e+01 102.509 9.05701e+00 102.509 0.3908 
1 1 1 12 26 13 o 16 5.94162e+01 2.75351e+01 2.11406e+01 285.693 4.22870e-01  -1.50508e+00 0.00000e+00 0.00000e+00 2.98113e+01 285.693 8.67074e+00 285.693 0.6114 
1 1 1 12 26 14 o 10 7.75053e+01 3.68130e+01 2.01567e+01 334.997 1.21137e+00  -5.64945e-01 0.00000e+00 0.00000e+00 4.03769e+01 334.997 2.02202e+01 334.997 0.5531 
1 1 1 12 26 15 o 18 6.46141e+01 3.04249e+01 4.17301e+00 85.105  2.62620e-02  3.06619e-01  0.00000e+00 0.00000e+00 9.80511e+00 85.105  5.63209e+00 85.105  0.1521 
1 1 1 12 26 16 o 10 6.13593e+01 2.73802e+01 3.10009e+01 92.050  -9.39771e-02 2.62488e+00  0.00000e+00 0.00000e+00 3.74473e+01 92.050  6.44635e+00 92.050  0.7781 
1 1 1 12 26 17 o 5  4.85722e+01 2.32206e+01 1.20924e+01 269.259 -1.38178e-02 -1.06905e+00 0.00000e+00 0.00000e+00 2.09352e+01 269.259 8.84281e+00 269.259 0.4704 
1 1 1 12 27 0  o 12 3.98665e+01 2.71711e+01 1.14910e+01 180.000 -3.37911e-01 0.00000e+00  0.00000e+00 0.00000e+00 6.45613e+00 180.000 5.03485e+00 0.000   0.3256 
1 1 1 12 27 1  o 5  5.41269e+01 2.51279e+01 1.41306e+01 332.787 7.91450e-01  -4.06984e-01 0.00000e+00 0.00000e+00 1.62631e+01 332.787 2.13252e+00 332.787 0.4060 
1 1 1 12 27 2  o 5  5.21430e+01 2.45420e+01 2.95853e+01 100.694 -3.40757e-01 1.80452e+00  0.00000e+00 0.00000e+00 1.86921e+01 100.694 1.08933e+01 280.694 0.6690 
1 1 1 12 27 3  o 10 7.07726e+01 2.91961e+01 3.05070e+01 327.487 1.79452e+00  -1.14378e+00 0.00000e+00 0.00000e+00 3.98798e+01 327.487 9.37279e+00 327.487 0.7177 
1 1 1 12 27 4  f 0  6.43466e+01 2.63261e+01 4.13136e+01 268.392 -9.01285e-02 -3.21109e+00 0.00000e+00 0.00000e+00 3.23367e+01 268.392 8.97685e+00 88.392  0.8245 
1 1 1 12 27 5  o 13 7.38094e+01 2.78127e+01 2.45209e+01 140.608 -1.57925e+00 1.29686e+00  0.00000e+00 0.00000e+00 4.78553e+01 140.608 2.33344e+01 140.608 0.7048 
1 1 1 12 27 6  o 14 4.98937e+01 2.28386e+01 1.43373e+01 2.480   9.81994e-01  4.25280e-02  0.00000e+00 0.00000e+00 1.63124e+01 2.480   1.97508e+00 2.480   0.4403 
1 1 1 12 27 7  o 8  6.00661e+01 2.55175e+01 1.69715e+01 352.625 1.23115e+00  -1.59359e-01 0.00000e+00 0.00000e+00 2.72050e+01 352.625 1.02335e+01 352.625 0.5254 
1 1 1 12 27 8  o 4  6.71635e+01 2.66636e+01 1.16511e+01 188.949 -8.86798e-01 -1.39647e-01 0.00000e+00 0.00000e+00 2.69440e+01 188.949 1.52929e+01 188.949 0.4090 
1 1 1 12 27 9  o 13 8.00270e+01 2.85746e+01 3.33735e+01 199.630 -2.78172e+00 -9.92190e-01 0.00000e+00 0.00000e+00 5.76988e+01 199.630 2.43253e+01 199.630 0.8065 
1 1 1 12 27 10 o 1  5.30031e+01 2.37442e+01 4.19974e+01 29.960  2.88985e+00  1.66576e+00  0.00000e+00 0.00000e+00 2.05313e+01 29.960  2.14661e+01 209.960 0.8320 
1 1 1 12 27 11 o 18 4.37638e+01 2.08849e+01 9.85615e+00 113.967 -2.96598e-01 6.67207e-01  0.00000e+00 0.00000e+00 1.15239e+01 113.967 1.66770e+00 113.967 0.3427 
1 1 1 12 27 12 o 15 4.88286e+01 2.28068e+01 4.69748e+00 93.818  -2.62142e-02 3.92815e-01  0.00000e+00 0.00000e+00 8.82243e+00 93.818  4.12495e+00 93.818  0.1931 
1 1 1 12 27 13 o 12 4.54571e+01 2.18743e+01 2.60906e+01 313.691 1.46175e+00  -1.53012e+00 0.00000e+00 0.00000e+00 2.08642e+01 313.691 5.22643e+00 133.691 0.7160 
1 1 1 12 27 14 o 3  7.03624e+01 3.43576e+01 1.87519e+01 218.618 -9.89490e-01 -7.90418e-01 0.00000e+00 0.00000e+00 3.57133e+01 218.618 1.69614e+01 218.618 0.5329 
1 1 1 12 27 15 f 0  4.56801e+01 2.26854e+01 1.25685e+01 235.097 -6.15188e-01 -8.81766e-01 0.00000e+00 0.00000e+00 1.90074e+01 235.097 6.43891e+00 235.097 0.4724 
1 1 1 12 28 0  o 17 5.88193e+01 3.49097e+01 2.39540e+01 180.000 -8.79533e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.51832e+01 180.000 1.12292e+01 180.000 0.7062 
1 1 1 12 28 1  o 13 5.98824e+01 2.49831e+01 3.72125e+01 15.812  2.64132e+00  7.48000e-01  0.00000e+00 0.00000e+00 3.00903e+01 15.812  7.12220e+00 195.812 0.7892 
1 1 1 12 28 2  o 9  5.82379e+01 2.67281e+01 2.55995e+01 282.606 3.71118e-01  -1.65951e+00 0.00000e+00 0.00000e+00 2.76795e+01 282.606 2.07997e+00 282.606 0.6419 
1 1 1 12 28 3  o 4  5.03787e+01 2.38992e+01 1.42639e+01 213.345 -7.73829e-01 -5.09181e-01 0.00000e+00 0.00000e+00 1.59056e+01 213.345 1.64171e+00 213.345 0.4197 
1 1 1 12 28 4  o 12 5.48879e+01 2.43324e+01 2.73984e+01 101.521 -4.02135e-01 1.97292e+00  0.00000e+00 0.00000e+00 2.75221e+01 101.521 1.23724e-01 101.521 0.7000 
1 1 1 12 28 5  o 15 4.95870e+01 2.27759e+01 1.96950e+01 178.946 -1.40252e+00 2.58125e-02  0.00000e+00 0.00000e+00 2.08825e+01 178.946 1.18755e+00 178.946 0.5712 
1 1 1 12 28 6  o 9  4.54194e+01 2.14895e+01 1.63521e+01 223.471 -9.04664e-01 -8.57635e-01 0.00000e+00 0.00000e+00 1.80349e+01 223.471 1.68283e+00 223.471 0.5270 
1 1 1 12 28 7  o 12 5.75312e+01 2.50896e+01 3.39293e+01 342.197 2.54885e+00  -8.18514e-01 0.00000e+00 0.00000e+00 3.09984e+01 342.197 2.93086e+00 162.197 0.7830 
1 1 1 12 28 8  o 13 6.64276e+01 2.65427e+01 2.66773e+01 42.961  1.64921e+00  1.53584e+00  0.00000e+00 0.00000e+00 4.39960e+01 42.961  1.73186e+01 42.961  0.7353 
1 1 1 12 28 9  o 14 5.16910e+01 2.33713e+01 6.61004e-01 80.696  9.14782e-03  5.58397e-02  0.00000e+00 0.00000e+00 1.46321e+00 80.696  8.02205e-01 80.696  0.0283 
1 1 1 12 28 10 o 7  4.85816e+01 2.24284e+01 9.05095e+00 150.243 -6.58895e-01 3.76694e-01  0.00000e+00 0.00000e+00 1.60981e+01 150.243 7.04712e+00 150.243 0.3545 
1 1 1 12 28 11 o 1  6.43374e+01 2.66975e+01 2.92328e+01 284.375 6.47168e-01  -2.52513e+00 0.00000e+00 0.00000e+00 4.40613e+01 284.375 1.48284e+01 284.375 0.7761 
1 1 1 12 28 12 o 1  5.66144e+01 2.52044e+01 6.69337e+00 266.623 -3.42659e-02 -5.80635e-01 0.00000e+00 0.00000e+00 1.66414e+01 266.623 9.94799e+00 266.623 0.2792 
1 1 1 12 28 13 o 15 5.51559e+01 2.51066e+01 2.45085e+01 94.122  -1.56009e-01 2.16490e+00  0.00000e+00 0.00000e+00 3.48098e+01 94.122  1.03013e+01 94.122  0.7239 
1 1 1 12 29 0  o 2  8.26031e+01 3.93333e+01 6.51470e+00 180.000 -3.20069e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.10149e+01 180.000 2.45002e+01 180.000 0.3096 
1 1 1 12 29 1  o 2  4.37504e+01 2.06578e+01 1.11823e+01 189.214 -8.23652e-01 -1.33617e-01 0.00000e+00 0.00000e+00 1.35230e+01 189.214 2.34068e+00 189.214 0.3847 
1 1 1 12 29 2  o 8  4.33080e+01 2.13468e+01 1.63207e+01 341.623 1.24624e+00  -4.14012e-01 0.00000e+00 0.00000e+00 1.84474e+01 341.623 2.12665e+00 341.623 0.5465 
1 1 1 12 29 3  o 17 4.35133e+01 2.14298e+01 3.47472e+00 190.403 -2.74602e-01 -5.04145e-02 0.00000e+00 0.00000e+00 5.37443e+00 190.403 1.89971e+00 190.403 0.1383 
1 1 1 12 29 4  f 0  6.14251e+01 2.77249e+01 3.17485e+01 135.205 -1.79601e+00 1.78322e+00  0.00000e+00 0.00000e+00 3.77954e+01 135.205 6.04688e+00 135.205 0.7683 
1 1 1 12 29 5  o 17 5.13723e+01 2.36190e+01 2.17396e+01 327.562 1.51871e+00  -9.65225e-01 0.00000e+00 0.00000e+00 2.84837e+01 327.562 6.74411e+00 327.562 0.6619 
1 1 1 12 29 6  o 3  6.06177e+01 2.59537e+01 1.76939e+01 311.935 1.01225e+00  -1.12680e+00 0.00000e+00 0.00000e+00 3.61493e+01 311.935 1.84554e+01 311.935 0.5997 
1 1 1 12 29 7  o 9  6.49558e+01 2.69930e+01 1.34112e+01 152.129 -1.04536e+00 5.52803e-01  0.00000e+00 0.00000e+00 3.55555e+01 152.129 2.21442e+01 152.129 0.5073 
1 1 1 12 29 8  o 6  4.29974e+01 2.05922e+01 1.62137e+01 217.401 -1.11741e+00 -8.54358e-01 0.00000e+00 0.00000e+00 2.04812e+01 217.401 4.26742e+00 217.401 0.5722 
1 1 1 12 29 9  o 5  4.39806e+01 2.09832e+01 3.97735e+01 354.645 3.60999e+00  -3.38374e-01 0.00000e+00 0.00000e+00 1.60541e+01 354.645 2.37194e+01 174.645 0.8474 
1 1 1 12 29 10 o 10 5.95954e+01 2.55481e+01 6.97172e+00 238.955 -3.32973e-01 -5.53176e-01 0.00000e+00 0.00000e+00 2.05744e+01 238.955 1.36027e+01 238.955 0.3071 
1 1 1 12 30 0  o 17 4.80010e+01 3.12942e+01 2.93556e+01 0.000   1.28606e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.30272e+01 0.000   3.67165e+00 0.000   0.8581 
1 1 1 12 30 1  o 10 6.83471e+01 2.67306e+01 1.41727e+01 234.477 -7.83546e-01 -1.09757e+00 0.00000e+00 0.00000e+00 4.34378e+01 234.477 2.92652e+01 234.477 0.5564 
1 1 1 12 30 2  o 10 6.38346e+01 2.83269e+01 2.54994e+01 156.551 -1.90119e+00 8.24648e-01  0.00000e+00 0.00000e+00 4.31452e+01 156.551 1.76458e+01 156.551 0.7093 
1 1 1 12 30 3  o 6  5.87864e+01 2.68895e+01 1.05462e+01 57.642  4.56909e-01  7.21138e-01  0.00000e+00 0.00000e+00 2.44490e+01 57.642  1.39029e+01 57.642  0.3922 
1 1 1 12 30 4  o 18 6.03030e+01 2.73611e+01 1.22416e+01 150.615 -8.93579e-01 5.03202e-01  0.00000e+00 0.00000e+00 2.95152e+01 150.615 1.72736e+01 150.615 0.4554 
1 1 1 12 30 5  o 3  5.12364e+01 2.36528e+01 2.02629e+01 0.738   1.79822e+00  2.31601e-02  0.00000e+00 0.00000e+00 3.14114e+01 0.738   1.11485e+01 0.738   0.6617 
1 1 1 12 30 6  o 1  4.95954e+01 2.30954e+01 2.43844e+01 308.360 1.34530e+00  -1.69976e+00 0.00000e+00 0.00000e+00 3.04548e+01 308.360 6.07040e+00 308.360 0.7235 
1 1 1 12 30 7  o 16 3.80896e+01 1.87498e+01 1.82078e+01 97.435  -2.13522e-01 1.63629e+00  0.00000e+00 0.00000e+00 1.86531e+01 97.435  4.45315e-01 97.435  0.6311 
1 1 1 13 0  2  o 10 8.61577e+02 4.02646e+01 3.05837e+02 180.000 -1.78454e+01 0.00000e+00  0.00000e+00 0.00000e+00 4.50896e+02 180.000 1.45060e+02 180.000 1.0000 
1 1 1 13 0  3  f 0  2.10370e+02 2.39623e+01 6.10112e+01 270.000 -5.46162e-17 -8.91950e-01 0.00000e+00 0.00000e+00 7.07770e+01 270.000 9.76579e+00 270.000 0.7124 
1 1 1 13 0  4  o 6  1.42232e+02 2.93096e+01 3.95246e+01 0.000   3.84207e-01  0.00000e+00  0.00000e+00 0.00000e+00 6.38073e+00 0.000   3.31439e+01 180.000 0.3664 
1 1 1 13 0  5  o 8  2.58936e+02 2.35996e+01 5.68332e+01 90.000  4.65529e-17  7.60267e-01  0.00000e+00 0.00000e+00 8.97748e+01 90.000  3.29416e+01 90.000  0.6412 
1 1 1 13 0  6  o 15 6.13241e+02 3.12796e+01 3.10839e+02 0.000   9.63567e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.32142e+02 0.000   7.86975e+01 180.000 1.0000 
1 1 1 13 0  7  o 19 2.43070e+02 1.69727e+01 1.45987e+02 270.000 -1.21892e-16 -1.99065e+00 0.00000e+00 0.00000e+00 6.20294e+01 270.000 8.39575e+01 90.000  0.9634 
1 1 1 13 0  8  o 12 1.11216e+02 2.58891e+01 3.49566e+01 180.000 -2.64382e-01 0.00000e+00  0.00000e+00 0.00000e+00 9.33171e+00 0.000   4.42884e+01 0.000   0.2584 
1 1 1 13 0  10 o 1  7.15358e+02 2.45610e+01 1.16575e+02 180.000 -5.34894e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.27100e+02 180.000 4.10525e+02 180.000 1.0000 
1 1 1 13 0  11 o 19 3.15691e+02 1.76149e+01 7.45504e+01 270.000 -9.30494e-17 -1.51961e+00 0.00000e+00 0.00000e+00 1.84934e+02 270.000 1.10384e+02 270.000 0.9086 
1 1 1 13 0  12 o 5  4.16411e+01 2.59673e+01 2.14307e+01 180.000 -6.77770e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.88667e+01 0.000   4.02974e+01 0.000   0.0677 
1 1 1 13 0  13 o 10 3.18281e+02 1.83785e+01 1.28510e+02 270.000 -2.21337e-16 -3.61471e+00 0.00000e+00 0.00000e+00 1.62495e+02 270.000 3.39849e+01 270.000 0.9986 
1 1 1 13 0  14 o 4  4.77928e+01 2.86549e+01 2.44404e+01 0.000   1.28866e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.87938e+01 180.000 4.32342e+01 180.000 0.1282 
1 1 1 13 0  15 o 12 4.20245e+02 1.99403e+01 5.83298e+01 90.000  1.53611e-16  2.50866e+00  0.00000e+00 0.00000e+00 3.26796e+02 90.000  2.68466e+02 90.000  0.9868 
1 1 1 13 0  16 o 16 7.91227e+01 3.69788e+01 6.34338e+01 0.000   5.72385e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.51399e+01 180.000 8.85737e+01 180.000 0.5171 
1 1 1 13 0  17 o 3  6.74358e+01 3.61017e+01 1.56217e+00 90.000  9.16225e-19  1.49631e-02  0.00000e+00 0.00000e+00 6.09943e-01 270.000 2.17212e+00 270.000 0.0150 
1 1 1 13 0  18 o 12 2.07550e+02 2.46770e+01 1.93760e+01 180.000 -6.26533e-01 0.00000e+00  0.00000e+00 0.00000e+00 9.04299e+01 180.000 7.10539e+01 180.000 0.5557 
1 1 1 13 0  19 o 5  1.12596e+02 4.03860e+01 3.20793e+01 90.000  3.80193e-17  6.20903e-01  0.00000e+00 0.00000e+00 2.76266e+01 90.000  4.45272e+00 270.000 0.5518 
1 1 1 13 0  20 o 17 1.67446e+02 2.86438e+01 6.87066e+01 180.000 -2.41258e+00 0.00000e+00  0.00000e+00 0.00000e+00 9.12200e+01 180.000 2.25134e+01 180.000 0.9841 
1 1 1 13 0  21 o 3  5.34677e+01 3.75761e+01 9.52489e+00 90.000  5.69907e-18  9.30728e-02  0.00000e+00 0.00000e+00 4.65890e+00 270.000 1.41838e+01 270.000 0.0928 
1 1 1 13 0  22 o 12 6.99750e+01 4.53206e+01 8.58052e+01 0.000   1.31205e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.58159e+01 180.000 1.11621e+02 180.000 0.8648 
1 1 1 13 0  23 o 10 3.29591e+01 2.36107e+01 2.23411e+01 270.000 -1.47332e-17 -2.40611e-01 0.00000e+00 0.00000e+00 1.45398e+01 90.000  3.68810e+01 90.000  0.2361 
1 1 1 13 0  24 o 14 1.37667e+02 4.01429e+01 8.28529e+01 180.000 -3.79788e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.66828e+01 180.000 2.61701e+01 0.000   0.9990 
1 1 1 13 0  25 o 3  1.35395e+02 4.95734e+01 4.39103e+01 90.000  1.29870e-16  2.12094e+00  0.00000e+00 0.00000e+00 9.12260e+01 90.000  4.73157e+01 90.000  0.9716 
1 1 1 13 0  26 o 1  1.21158e+02 4.83743e+01 6.44061e+01 0.000   2.84437e+00  0.00000e+00  0.00000e+00 0.00000e+00 6.08099e+01 0.000   3.59622e+00 180.000 0.9933 
1 1 1 13 0  27 o 12 5.19488e+01 3.40445e+01 4.04804e+01 270.000 -6.71227e-17 -1.09620e+00 0.00000e+00 0.00000e+00 3.29617e+00 270.000 3.71842e+01 90.000  0.7991 
1 1 1 13 0  28 o 8  6.40310e+01 3.89839e+01 5.83741e+01 180.000 -2.12074e+00 0.00000e+00  0.00000e+00 0.00000e+00 8.14814e+00 180.000 5.02259e+01 0.000   0.9716 
1 1 1 13 0  29 o 3  7.57244e+01 4.27099e+01 2.90429e+01 90.000  7.98451e-17  1.30397e+00  0.00000e+00 0.00000e+00 4.18222e+01 90.000  1.27792e+01 90.000  0.8627 
1 1 1 13 0  30 o 14 7.97907e+01 4.42411e+01 3.07442e+01 180.000 -1.49865e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.87494e+01 180.000 1.80051e+01 180.000 0.9049 
1 1 1 13 0  31 o 10 4.48557e+01 3.09595e+01 1.84917e+01 270.000 -5.37081e-17 -8.77120e-01 0.00000e+00 0.00000e+00 1.68631e+01 270.000 1.62854e+00 90.000  0.7050 
1 1 1 13 1  1  o 1  2.00980e+02 2.40464e+01 2.93162e+01 157.744 -7.50731e-01 3.07230e-01  0.00000e+00 0.00000e+00 3.69554e+01 157.744 7.63918e+00 157.744 0.3755 
1 1 1 13 1  2  o 17 1.02099e+02 2.78596e+01 1.26488e+02 75.962  4.24712e-01  1.69860e+00  0.00000e+00 0.00000e+00 6.79596e+01 255.962 1.94447e+02 255.962 0.6523 
1 1 1 13 1  3  o 4  9.91805e+01 2.15356e+01 8.28766e+01 262.221 -1.52804e-01 -1.11861e+00 0.00000e+00 0.00000e+00 4.00949e+01 82.221  1.22972e+02 82.221  0.4902 
1 1 1 13 1  4  o 11 1.55679e+02 1.75608e+01 9.82733e+01 232.102 -1.29258e+00 -1.66050e+00 0.00000e+00 0.00000e+00 2.72099e-01 52.102  9.85454e+01 52.102  0.7142 
1 1 1 13 1  5  f 0  2.20467e+02 1.64117e+01 1.20232e+02 2.158   2.73512e+00  1.03045e-01  0.00000e+00 0.00000e+00 3.33447e+01 2.158   8.68873e+01 182.158 0.7885 
1 1 1 13 1  6  o 19 1.31121e+02 1.88177e+01 4.12493e+01 276.493 6.21502e-02  -5.46039e-01 0.00000e+00 0.00000e+00 1.04779e+01 96.493  5.17272e+01 96.493  0.2649 
1 1 1 13 1  7  o 4  2.44786e+02 1.36866e+01 1.05382e+02 105.941 -7.92372e-01 2.77416e+00  0.00000e+00 0.00000e+00 6.89157e+01 105.941 3.64665e+01 285.941 0.8011 
1 1 1 13 1  8  o 10 3.96711e+02 1.47372e+01 1.57949e+02 356.860 8.56247e+00  -4.69722e-01 0.00000e+00 0.00000e+00 1.74662e+02 356.860 1.67128e+01 356.860 0.9397 
1 1 1 13 1  9  o 12 4.24996e+02 1.31543e+01 1.84487e+02 287.547 2.93713e+00  -9.28909e+00 0.00000e+00 0.00000e+00 1.76207e+02 287.547 8.27954e+00 107.547 0.9472 
1 1 1 13 1  10 o 15 6.60901e+02 1.63578e+01 1.63387e+02 177.105 -1.38495e+01 7.00301e-01  0.00000e+00 0.00000e+00 4.09759e+02 177.105 2.46373e+02 177.105 0.9632 
1 1 1 13 1  11 o 5  5.92104e+01 2.09784e+01 7.18580e+01 65.396  2.24824e-01  4.90967e-01  0.00000e+00 0.00000e+00 5.78916e+01 245.396 1.29750e+02 245.396 0.2606 
1 1 1 13 1  12 o 3  2.80620e+02 1.25980e+01 5.31247e+01 28.787  2.00779e+00  1.10321e+00  0.00000e+00 0.00000e+00 1.35972e+02 28.787  8.28474e+01 28.787  0.7402 
1 1 1 13 1  13 o 12 2.96487e+02 1.28691e+01 4.27481e+01 96.503  -2.53590e-01 2.22466e+00  0.00000e+00 0.00000e+00 1.56449e+02 96.503  1.13701e+02 96.503  0.7334 
1 1 1 13 1  14 o 14 1.85785e+02 1.47693e+01 9.91148e+01 309.343 2.62535e+00  -3.20265e+00 0.00000e+00 0.00000e+00 4.97558e+01 309.343 4.93589e+01 129.343 0.8687 
1 1 1 13 1  15 o 6  4.41278e+02 1.41700e+01 1.27373e+02 347.273 1.12124e+01  -2.53234e+00 0.00000e+00 0.00000e+00 2.64377e+02 347.273 1.37004e+02 347.273 0.9555 
1 1 1 13 1  16 o 9  2.99112e+02 1.40601e+01 1.20986e+02 154.831 -7.87424e+00 3.70016e+00  0.00000e+00 0.00000e+00 1.42488e+02 154.831 2.15024e+01 154.831 0.9406 
1 1 1 13 1  17 o 7  1.29552e+02 2.08255e+01 5.16719e+01 304.433 1.10701e+00  -1.61473e+00 0.00000e+00 0.00000e+00 3.28239e+01 304.433 1.88481e+01 124.433 0.6907 
1 1 1 13 1  18 o 3  1.92981e+02 1.69865e+01 4.48235e+01 237.621 -1.44606e+00 -2.28044e+00 0.00000e+00 0.00000e+00 9.95158e+01 237.621 5.46924e+01 237.621 0.7851 
1 1 1 13 1  19 o 11 3.17704e+02 1.51317e+01 1.09547e+02 80.009  2.29757e+00  1.30421e+01  0.00000e+00 0.00000e+00 1.84175e+02 80.009  7.46283e+01 80.009  0.9615 
1 1 1 13 1  20 o 19 2.50414e+02 1.61476e+01 8.71481e+01 12.884  9.19831e+00  2.10400e+00  0.00000e+00 0.00000e+00 1.42750e+02 12.884  5.56018e+01 12.884  0.9454 
1 1 1 13 1  21 o 6  1.61479e+02 2.73241e+01 6.95470e+01 262.808 -5.10006e-01 -4.04145e+00 0.00000e+00 0.00000e+00 6.77053e+01 262.808 1.84177e+00 82.808  0.8663 
1 1 1 13 1  22 o 8  6.96455e+01 2.94604e+01 4.06484e+01 283.853 3.06699e-01  -1.24366e+00 0.00000e+00 0.00000e+00 3.54424e+00 103.853 4.41927e+01 103.853 0.5371 
1 1 1 13 1  23 o 19 1.68374e+02 2.19506e+01 5.50733e+01 221.621 -4.24619e+00 -3.77267e+00 0.00000e+00 0.00000e+00 9.81411e+01 221.621 4.30678e+01 221.621 0.9071 
1 1 1 13 1  24 o 14 5.90909e+01 2.55938e+01 2.22188e+01 166.665 -8.96092e-01 2.12402e-01  0.00000e+00 0.00000e+00 2.83518e+00 166.665 1.93837e+01 346.665 0.4177 
1 1 1 13 1  25 o 14 8.51016e+01 3.13384e+01 2.16156e+01 67.383  5.54710e-01  1.33147e+00  0.00000e+00 0.00000e+00 2.92507e+01 67.383  7.63505e+00 67.383  0.5816 
1 1 1 13 1  26 o 7  7.41686e+01 3.01272e+01 7.49086e+00 253.574 -1.27146e-01 -4.31292e-01 0.00000e+00 0.00000e+00 9.44413e+00 253.574 1.95327e+00 253.574 0.2193 
1 1 1 13 1  27 o 9  7.78048e+01 3.04533e+01 2.99904e+01 54.726  1.17895e+00  1.66668e+00  0.00000e+00 0.00000e+00 2.78395e+01 54.726  2.15085e+00 234.726 0.7045 
1 1 1 13 1  28 o 9  6.28238e+01 2.74174e+01 4.35020e+00 300.782 1.59455e-01  -2.67677e-01 0.00000e+00 0.00000e+00 5.99501e+00 300.782 1.64481e+00 300.782 0.1539 
1 1 1 13 1  29 o 19 4.58066e+01 2.22045e+01 2.82181e+01 134.483 -1.46980e+00 1.49657e+00  0.00000e+00 0.00000e+00 7.23627e+00 134.483 2.09819e+01 314.483 0.7132 
1 1 1 13 1  30 o 17 5.66066e+01 2.60486e+01 1.40380e+01 7.021   1.20695e+00  1.48651e-01  0.00000e+00 0.00000e+00 1.82455e+01 7.021   4.20748e+00 7.021   0.5177 
1 1 1 13 1  31 o 12 7.37105e+01 2.98114e+01 2.10080e+01 312.389 1.48707e+00  -1.62920e+00 0.00000e+00 0.00000e+00 3.90886e+01 312.389 1.80806e+01 312.389 0.7288 
1 1 1 13 2  1  o 17 1.47094e+02 2.55674e+01 7.17853e+01 179.127 -1.44215e+00 2.19776e-02  0.00000e+00 0.00000e+00 3.45055e+00 179.127 6.83347e+01 359.127 0.5815 
1 1 1 13 2  2  o 8  1.37225e+02 1.82086e+01 1.41279e+02 254.657 -7.12021e-01 -2.59508e+00 0.00000e+00 0.00000e+00 4.65524e+01 74.657  1.87832e+02 74.657  0.7843 
1 1 1 13 2  3  o 4  4.85756e+01 2.00948e+01 3.82214e+01 122.825 -1.38286e-01 2.14369e-01  0.00000e+00 0.00000e+00 3.28050e+01 302.825 7.10264e+01 302.825 0.1265 
1 1 1 13 2  4  o 17 2.29666e+02 1.61133e+01 1.49697e+02 40.034  2.73845e+00  2.30058e+00  0.00000e+00 0.00000e+00 2.16374e+01 40.034  1.28060e+02 220.034 0.8450 
1 1 1 13 2  5  o 14 5.70193e+02 3.00416e+01 2.39394e+02 3.644   1.36286e+01  8.67991e-01  0.00000e+00 0.00000e+00 2.46308e+02 3.644   6.91442e+00 3.644   0.9627 
1 1 1 13 2  6  o 12 4.74241e+02 1.56475e+01 2.18879e+02 176.885 -1.16880e+01 6.36023e-01  0.00000e+00 0.00000e+00 1.83526e+02 176.885 3.53530e+01 356.885 0.9563 
1 1 1 13 2  7  o 13 3.42835e+02 1.40414e+01 2.11028e+02 176.808 -8.05090e+00 4.48946e-01  0.00000e+00 0.00000e+00 7.45703e+01 176.808 1.36458e+02 356.808 0.9358 
1 1 1 13 2  8  o 16 4.79658e+02 1.37312e+01 1.83858e+02 321.685 9.45878e+00  -7.47422e+00 0.00000e+00 0.00000e+00 2.26586e+02 321.685 4.27286e+01 321.685 0.9576 
1 1 1 13 2  9  o 2  4.24218e+02 1.31397e+01 1.67459e+02 258.270 -1.78958e+00 -8.61886e+00 0.00000e+00 0.00000e+00 1.90927e+02 258.270 2.34681e+01 258.270 0.9414 
1 1 1 13 2  10 o 11 8.80351e+01 1.97988e+01 4.07648e+01 214.414 -3.76495e-01 -2.57925e-01 0.00000e+00 0.00000e+00 2.31058e+01 34.414  6.38706e+01 34.414  0.2224 
1 1 1 13 2  11 o 15 1.41840e+02 1.77340e+01 1.03161e+02 183.240 -1.86289e+00 -1.05472e-01 0.00000e+00 0.00000e+00 1.64353e+01 3.240   1.19597e+02 3.240   0.6745 
1 1 1 13 2  12 o 10 4.31222e+02 1.34561e+01 1.29349e+02 272.407 3.58592e-01  -8.53018e+00 0.00000e+00 0.00000e+00 2.40046e+02 272.407 1.10697e+02 272.407 0.9395 
1 1 1 13 2  13 o 5  2.64114e+02 1.30848e+01 7.17135e+01 1.625   3.33570e+00  9.46039e-02  0.00000e+00 0.00000e+00 1.29947e+02 1.625   5.82338e+01 1.625   0.8321 
1 1 1 13 2  14 o 12 4.53488e+02 1.41814e+01 1.59413e+02 106.564 -4.63338e+00 1.55778e+01  0.00000e+00 0.00000e+00 2.46442e+02 106.564 8.70293e+01 106.564 0.9687 
1 1 1 13 2  15 o 8  4.51065e+02 1.42236e+01 1.22095e+02 116.284 -4.97685e+00 1.00770e+01  0.00000e+00 0.00000e+00 2.78548e+02 116.284 1.56453e+02 116.284 0.9544 
1 1 1 13 2  16 o 15 3.71226e+02 1.41562e+01 1.10369e+02 283.480 2.29118e+00  -9.55843e+00 0.00000e+00 0.00000e+00 2.19600e+02 283.480 1.09231e+02 283.480 0.9477 
1 1 1 13 2  17 o 1  1.48154e+02 1.90122e+01 2.69616e+01 261.424 -1.90913e-01 -1.26597e+00 0.00000e+00 0.00000e+00 4.82753e+01 261.424 2.13137e+01 261.424 0.5369 
1 1 1 13 2  18 o 17 2.90076e+02 1.49855e+01 8.33365e+01 311.033 4.99382e+00  -5.73813e+00 0.00000e+00 0.00000e+00 1.74549e+02 311.033 9.12129e+01 311.033 0.9317 
1 1 1 13 2  19 o 6  2.34405e+02 1.62289e+01 5.85603e+01 339.808 4.86446e+00  -1.78898e+00 0.00000e+00 0.00000e+00 1.44047e+02 339.808 8.54867e+01 339.808 0.8975 
1 1 1 13 2  20 o 18 8.32379e+01 2.69614e+01 6.01266e+01 155.280 -1.78805e+00 8.23177e-01  0.00000e+00 0.00000e+00 4.06065e+00 335.280 6.41872e+01 335.280 0.6925 
1 1 1 13 2  21 o 15 2.05443e+02 2.18275e+01 6.65584e+01 179.362 -5.20368e+00 5.79279e-02  0.00000e+00 0.00000e+00 1.14725e+02 179.362 4.81665e+01 179.362 0.8979 
1 1 1 13 2  22 o 14 1.18648e+02 3.19490e+01 6.55472e+01 198.289 -3.49984e+00 -1.15673e+00 0.00000e+00 0.00000e+00 3.46732e+01 198.289 3.08740e+01 18.289  0.8503 
1 1 1 13 2  23 o 19 3.74069e+01 1.85170e+01 1.31161e+01 272.410 1.31894e-02  -3.13343e-01 0.00000e+00 0.00000e+00 7.29353e+00 92.410  2.04096e+01 92.410  0.1549 
1 1 1 13 2  24 o 17 2.03524e+02 2.17063e+01 7.35860e+01 56.636  6.17598e+00  9.37922e+00  0.00000e+00 0.00000e+00 1.23909e+02 56.636  5.03232e+01 56.636  0.9544 
1 1 1 13 2  25 o 7  1.31474e+02 5.00519e+01 9.35610e+01 16.981  5.70924e+00  1.74340e+00  0.00000e+00 0.00000e+00 2.98530e+01 16.981  6.37081e+01 196.981 0.9119 
1 1 1 13 2  26 o 6  6.48596e+01 2.85444e+01 5.98230e+01 258.745 -6.37253e-01 -3.20215e+00 0.00000e+00 0.00000e+00 3.83723e+00 78.745  6.36603e+01 78.745  0.8278 
1 1 1 13 2  27 o 4  1.29016e+02 2.98662e+01 9.16300e+01 190.738 -1.03207e+01 -1.95730e+00 0.00000e+00 0.00000e+00 3.80473e+01 190.738 5.35827e+01 10.738  0.9511 
1 1 1 13 2  28 o 12 6.67453e+01 2.84285e+01 4.32716e+01 67.613  1.21110e+00  2.94031e+00  0.00000e+00 0.00000e+00 1.55496e+01 67.613  2.77220e+01 247.613 0.8225 
1 1 1 13 2  29 o 16 4.27140e+01 2.09652e+01 1.15547e+01 67.956  3.15213e-01  7.78448e-01  0.00000e+00 0.00000e+00 6.40410e+00 67.956  5.15062e+00 247.956 0.3868 
1 1 1 13 2  30 f 0  5.50284e+01 2.55127e+01 2.90268e+01 271.396 6.09189e-02  -2.49947e+00 0.00000e+00 0.00000e+00 1.74208e+01 271.396 1.16060e+01 91.396  0.7650 
1 1 1 13 2  31 o 3  6.03185e+01 2.72189e+01 2.09193e+01 359.830 2.03517e+00  -6.04999e-03 0.00000e+00 0.00000e+00 2.66229e+01 359.830 5.70356e+00 359.830 0.7035 
1 1 1 13 3  0  f 0  1.62001e+02 2.72034e+01 3.83461e+01 90.000  2.63143e-17  4.29745e-01  0.00000e+00 0.00000e+00 1.95147e+01 90.000  1.88314e+01 270.000 0.4051 
1 1 1 13 3  1  o 4  4.02803e+02 2.57048e+01 1.62110e+02 80.715  1.43067e+00  8.75080e+00  0.00000e+00 0.00000e+00 1.72436e+02 80.715  1.03262e+01 80.715  0.9418 
1 1 1 13 3  2  o 4  4.27850e+02 2.60274e+01 2.07212e+02 352.901 1.18941e+01  -1.48127e+00 0.00000e+00 0.00000e+00 1.54269e+02 352.901 5.29434e+01 172.901 0.9573 
1 1 1 13 3  3  o 12 4.07202e+02 1.79141e+01 1.80117e+02 300.342 5.08889e+00  -8.69378e+00 0.00000e+00 0.00000e+00 1.61351e+02 300.342 1.87656e+01 120.342 0.9490 
1 1 1 13 3  4  o 12 8.96805e+01 2.17293e+01 1.36801e+02 115.506 -5.41366e-01 1.13469e+00  0.00000e+00 0.00000e+00 9.47149e+01 295.506 2.31516e+02 295.506 0.5301 
1 1 1 13 3  5  o 3  3.40396e+02 1.68509e+01 7.39359e+01 39.748  1.98001e+00  1.64666e+00  0.00000e+00 0.00000e+00 1.59497e+02 39.748  8.55616e+01 39.748  0.7729 
1 1 1 13 3  6  o 14 5.30617e+02 2.01934e+01 1.79429e+02 231.046 -6.66128e+00 -8.23966e+00 0.00000e+00 0.00000e+00 2.69792e+02 231.046 9.03637e+01 231.046 0.9516 
1 1 1 13 3  7  o 18 3.75111e+02 1.44113e+01 1.27688e+02 201.592 -6.14724e+00 -2.43287e+00 0.00000e+00 0.00000e+00 1.80660e+02 201.592 5.29722e+01 201.592 0.9209 
1 1 1 13 3  8  o 11 2.38943e+02 1.37457e+01 1.11122e+02 175.897 -3.60308e+00 2.58443e-01  0.00000e+00 0.00000e+00 7.01614e+01 175.897 4.09610e+01 355.897 0.8468 
1 1 1 13 3  9  o 3  5.41585e+02 1.45986e+01 2.07489e+02 65.870  5.65363e+00  1.26214e+01  0.00000e+00 0.00000e+00 2.61887e+02 65.870  5.43974e+01 65.870  0.9631 
1 1 1 13 3  10 o 16 3.10447e+02 1.22772e+01 8.39316e+01 40.985  2.52533e+00  2.19405e+00  0.00000e+00 0.00000e+00 1.49774e+02 40.985  6.58424e+01 40.985  0.8326 
1 1 1 13 3  11 o 15 4.49409e+02 1.35835e+01 1.69623e+02 239.386 -4.96700e+00 -8.39406e+00 0.00000e+00 0.00000e+00 2.17328e+02 239.386 4.77050e+01 239.386 0.9473 
1 1 1 13 3  12 o 14 1.68762e+02 1.40634e+01 7.49467e+01 39.751  1.48088e+00  1.23168e+00  0.00000e+00 0.00000e+00 3.07834e+01 39.751  4.41633e+01 219.751 0.6853 
1 1 1 13 3  13 o 3  3.94838e+02 1.34118e+01 1.80627e+02 321.682 1.09816e+01  -8.67824e+00 0.00000e+00 0.00000e+00 1.69409e+02 321.682 1.12183e+01 141.682 0.9636 
1 1 1 13 3  14 o 10 2.17751e+02 1.70403e+01 1.15584e+02 96.866  -6.67921e-01 5.54682e+00  0.00000e+00 0.00000e+00 6.70454e+01 96.866  4.85391e+01 276.866 0.9054 
1 1 1 13 3  15 o 8  3.40366e+02 1.37766e+01 1.15936e+02 135.629 -6.61275e+00 6.46917e+00  0.00000e+00 0.00000e+00 1.83973e+02 135.629 6.80369e+01 135.629 0.9443 
1 1 1 13 3  16 o 11 4.16758e+02 1.73838e+01 1.17358e+02 321.869 9.09758e+00  -7.14137e+00 0.00000e+00 0.00000e+00 2.57231e+02 321.869 1.39873e+02 321.869 0.9557 
1 1 1 13 3  17 o 7  1.63204e+02 1.77136e+01 6.38429e+01 53.706  1.98562e+00  2.70368e+00  0.00000e+00 0.00000e+00 6.50973e+01 53.706  1.25440e+00 53.706  0.8331 
1 1 1 13 3  18 o 17 1.97001e+02 1.76022e+01 5.75662e+01 259.601 -6.17521e-01 -3.36503e+00 0.00000e+00 0.00000e+00 1.00162e+02 259.601 4.25958e+01 259.601 0.8369 
1 1 1 13 3  19 o 5  1.16037e+02 2.41673e+01 3.41194e+01 25.736  1.29879e+00  6.26074e-01  0.00000e+00 0.00000e+00 3.10305e+01 25.736  3.08894e+00 205.736 0.5814 
1 1 1 13 3  20 f 0  1.36796e+02 2.82451e+01 3.78453e+01 164.169 -2.01463e+00 5.71255e-01  0.00000e+00 0.00000e+00 5.72240e+01 164.169 1.93787e+01 164.169 0.7126 
1 1 1 13 3  21 o 16 8.41634e+01 3.04626e+01 4.94587e+01 214.296 -1.27180e+00 -8.67441e-01 0.00000e+00 0.00000e+00 7.75524e-01 214.296 4.86831e+01 34.296  0.6057 
1 1 1 13 3  22 o 17 7.21515e+01 2.99300e+01 4.03712e+01 158.461 -1.32054e+00 5.21212e-01  0.00000e+00 0.00000e+00 1.00001e+00 158.461 3.93712e+01 338.461 0.5756 
1 1 1 13 3  23 o 17 7.55620e+01 3.12394e+01 3.20446e+01 54.597  7.43811e-01  1.04654e+00  0.00000e+00 0.00000e+00 8.91226e+00 54.597  2.31323e+01 234.597 0.5380 
1 1 1 13 3  24 o 13 2.34201e+02 2.25895e+01 5.95262e+01 341.277 1.03513e+01  -3.50844e+00 0.00000e+00 0.00000e+00 1.68037e+02 341.277 1.08510e+02 341.277 0.9531 
1 1 1 13 3  25 o 12 9.52678e+01 3.00007e+01 1.74675e+01 238.714 -6.98862e-01 -1.15004e+00 0.00000e+00 0.00000e+00 3.71671e+01 238.714 1.96996e+01 238.714 0.5556 
1 1 1 13 3  26 o 17 5.04156e+01 2.40335e+01 2.51777e+01 224.170 -8.94090e-01 -8.68551e-01 0.00000e+00 0.00000e+00 2.59797e+00 224.170 2.25797e+01 44.170  0.5270 
1 1 1 13 3  27 o 15 5.29638e+01 2.45903e+01 1.31018e+01 17.687  6.78104e-01  2.16241e-01  0.00000e+00 0.00000e+00 5.70321e+00 17.687  7.39856e+00 197.687 0.3351 
1 1 1 13 3  28 o 19 5.80117e+01 2.60798e+01 3.18247e+01 138.755 -1.65074e+00 1.44741e+00  0.00000e+00 0.00000e+00 1.35111e+01 138.755 1.83136e+01 318.755 0.7274 
1 1 1 13 3  29 o 14 6.75675e+01 2.85283e+01 5.73037e+00 178.706 -4.88457e-01 1.10360e-02  0.00000e+00 0.00000e+00 1.17439e+01 178.706 6.01351e+00 178.706 0.2373 
1 1 1 13 3  30 o 6  7.68269e+01 3.04568e+01 3.08687e+01 358.648 2.98983e+00  -7.05399e-02 0.00000e+00 0.00000e+00 3.79140e+01 358.648 7.04531e+00 358.648 0.8093 
1 1 1 13 3  31 o 4  5.82319e+01 2.65178e+01 1.52062e+00 314.289 1.03055e-01  -1.05643e-01 0.00000e+00 0.00000e+00 3.29364e+00 314.289 1.77302e+00 314.289 0.0736 
1 1 1 13 4  0  o 6  7.18478e+02 3.51851e+01 3.26098e+02 270.000 -9.70260e-16 -1.58456e+01 0.00000e+00 0.00000e+00 3.09714e+02 270.000 1.63842e+01 90.000  1.0000 
1 1 1 13 4  1  o 11 1.79906e+02 2.47058e+01 2.44942e+02 248.021 -2.22952e+00 -5.52396e+00 0.00000e+00 0.00000e+00 9.97597e+01 68.021  3.44702e+02 68.021  0.9117 
1 1 1 13 4  2  o 17 4.12398e+02 2.56657e+01 1.89125e+02 83.674  8.78483e-01  7.92465e+00  0.00000e+00 0.00000e+00 1.52449e+02 83.674  3.66761e+01 263.674 0.9350 
1 1 1 13 4  3  o 12 6.30495e+02 2.24221e+01 3.03180e+02 35.084  1.60143e+01  1.12484e+01  0.00000e+00 0.00000e+00 2.41559e+02 35.084  6.16213e+01 215.084 0.9741 
1 1 1 13 4  4  o 7  1.33254e+02 1.86408e+01 9.22682e+01 270.292 6.41571e-03  -1.25783e+00 0.00000e+00 0.00000e+00 2.94772e+01 90.292  1.21745e+02 90.292  0.5303 
1 1 1 13 4  5  o 13 5.15367e+02 1.98995e+01 2.12363e+02 193.648 -1.18999e+01 -2.88955e+00 0.00000e+00 0.00000e+00 2.27434e+02 193.648 1.50708e+01 193.648 0.9583 
1 1 1 13 4  6  o 2  2.13320e+02 1.37925e+01 8.52465e+01 270.291 1.03244e-02  -2.03144e+00 0.00000e+00 0.00000e+00 4.86498e+01 270.291 3.65968e+01 90.291  0.7029 
1 1 1 13 4  7  o 16 4.34566e+02 1.51938e+01 1.37318e+02 310.870 5.34556e+00  -6.17764e+00 0.00000e+00 0.00000e+00 2.27358e+02 310.870 9.00398e+01 310.870 0.9366 
1 1 1 13 4  8  o 1  2.41274e+02 1.40321e+01 1.10456e+02 104.618 -8.37333e-01 3.21051e+00  0.00000e+00 0.00000e+00 6.98594e+01 104.618 4.05970e+01 284.618 0.8310 
1 1 1 13 4  9  o 6  8.51829e+02 1.95561e+01 3.36860e+02 154.040 -3.30834e+01 1.61071e+01  0.00000e+00 0.00000e+00 4.21989e+02 154.040 8.51282e+01 154.040 0.9863 
1 1 1 13 4  10 f 0  3.87420e+02 1.28829e+01 1.49272e+02 253.023 -2.19281e+00 -7.18281e+00 0.00000e+00 0.00000e+00 1.78005e+02 253.023 2.87322e+01 253.023 0.9308 
1 1 1 13 4  11 o 11 7.82670e+02 2.13907e+01 2.66479e+02 353.936 3.14854e+01  -3.34477e+00 0.00000e+00 0.00000e+00 4.36230e+02 353.936 1.69751e+02 353.936 0.9841 
1 1 1 13 4  12 o 5  3.56737e+02 1.46820e+01 6.83087e+01 89.911  6.71754e-03  4.33145e+00  0.00000e+00 0.00000e+00 2.18189e+02 89.911  1.49880e+02 89.911  0.8752 
1 1 1 13 4  13 f 0  5.63820e+02 1.53234e+01 1.43884e+02 158.032 -1.46176e+01 5.89630e+00  0.00000e+00 0.00000e+00 3.59991e+02 158.032 2.16108e+02 158.032 0.9677 
1 1 1 13 4  14 o 5  4.24174e+02 1.39721e+01 1.69987e+02 239.544 -8.15365e+00 -1.38668e+01 0.00000e+00 0.00000e+00 2.11941e+02 239.544 4.19538e+01 239.544 0.9684 
1 1 1 13 4  15 o 17 5.85206e+02 1.60744e+01 2.39777e+02 296.218 1.43602e+01  -2.91604e+01 0.00000e+00 0.00000e+00 2.99833e+02 296.218 6.00565e+01 296.218 0.9845 
1 1 1 13 4  16 o 9  3.96162e+02 1.63344e+01 1.23024e+02 115.446 -6.35918e+00 1.33644e+01  0.00000e+00 0.00000e+00 2.38073e+02 115.446 1.15048e+02 115.446 0.9656 
1 1 1 13 4  17 o 5  3.50655e+02 2.08620e+01 6.36128e+01 60.637  3.44394e+00  6.12120e+00  0.00000e+00 0.00000e+00 2.45389e+02 60.637  1.81776e+02 60.637  0.9258 
1 1 1 13 4  18 o 1  4.75624e+02 1.76247e+01 1.51714e+02 333.996 1.94932e+01  -9.50900e+00 0.00000e+00 0.00000e+00 2.94363e+02 333.996 1.42650e+02 333.996 0.9767 
1 1 1 13 4  19 o 7  3.30585e+02 1.67600e+01 1.47350e+02 178.657 -1.86722e+01 4.37751e-01  0.00000e+00 0.00000e+00 1.64381e+02 178.657 1.70315e+01 178.657 0.9729 
1 1 1 13 4  20 o 14 2.46738e+02 2.09455e+01 9.38043e+01 193.456 -9.76926e+00 -2.33749e+00 0.00000e+00 0.00000e+00 1.35362e+02 193.456 4.15575e+01 193.456 0.9488 
1 1 1 13 4  21 o 16 1.09916e+02 2.70276e+01 5.78226e+01 11.054  2.38629e+00  4.66195e-01  0.00000e+00 0.00000e+00 2.45070e+01 11.054  3.33156e+01 191.054 0.7573 
1 1 1 13 4  22 o 8  1.67676e+02 2.10904e+01 7.18604e+01 0.269   6.57780e+00  3.08538e-02  0.00000e+00 0.00000e+00 8.24571e+01 0.269   1.05967e+01 0.269   0.9205 
1 1 1 13 4  23 o 10 1.41956e+02 3.20456e+01 6.16119e+01 72.090  1.57056e+00  4.85967e+00  0.00000e+00 0.00000e+00 6.69823e+01 72.090  5.37036e+00 72.090  0.8958 
1 1 1 13 4  24 f 0  5.74313e+01 2.57215e+01 2.76472e+01 118.344 -5.56026e-01 1.03074e+00  0.00000e+00 0.00000e+00 1.95771e+00 118.344 2.56895e+01 298.344 0.5038 
1 1 1 13 4  25 o 5  1.44062e+02 2.55728e+01 6.57158e+01 203.581 -7.80229e+00 -3.40566e+00 0.00000e+00 0.00000e+00 7.44734e+01 203.581 8.75761e+00 203.581 0.9393 
1 1 1 13 4  26 o 17 1.64946e+02 2.42364e+01 7.96574e+01 213.748 -1.06528e+01 -7.11754e+00 0.00000e+00 0.00000e+00 8.65414e+01 213.748 6.88404e+00 213.748 0.9601 
1 1 1 13 4  27 o 5  8.97191e+01 3.21396e+01 3.54981e+01 34.581  2.38651e+00  1.64516e+00  0.00000e+00 0.00000e+00 4.10480e+01 34.581  5.54990e+00 34.581  0.8022 
1 1 1 13 4  28 o 10 6.53562e+01 2.77629e+01 4.58542e+01 4.781   3.32533e+00  2.78130e-01  0.00000e+00 0.00000e+00 1.27928e+01 4.781   3.30614e+01 184.781 0.8321 
1 1 1 13 4  29 o 7  7.37287e+01 2.99029e+01 1.58696e+01 272.893 6.93002e-02  -1.37153e+00 0.00000e+00 0.00000e+00 2.95588e+01 272.893 1.36892e+01 272.893 0.5632 
1 1 1 13 4  30 o 16 4.97204e+01 2.36798e+01 1.68459e+01 41.416  1.09854e+00  9.69049e-01  0.00000e+00 0.00000e+00 1.55805e+01 41.416  1.26540e+00 221.416 0.5873 
1 1 1 13 4  31 o 17 4.53067e+01 2.20670e+01 4.47359e+00 217.762 -3.35121e-01 -2.59594e-01 0.00000e+00 0.00000e+00 6.11861e+00 217.762 1.64502e+00 217.762 0.2073 
1 1 1 13 5  0  o 8  6.88151e+01 3.36412e+01 1.18434e+02 90.000  2.54869e-17  4.16233e-01  0.00000e+00 0.00000e+00 9.43404e+01 270.000 2.12775e+02 270.000 0.3938 
1 1 1 13 5  1  f 0  3.23826e+02 2.40402e+01 8.98015e+01 348.185 2.90256e+00  -6.07163e-01 0.00000e+00 0.00000e+00 1.42743e+02 348.185 5.29413e+01 348.185 0.8074 
1 1 1 13 5  2  o 14 1.52801e+02 2.57161e+01 7.91036e+01 239.261 -6.25546e-01 -1.05192e+00 0.00000e+00 0.00000e+00 8.36433e+00 59.261  8.74680e+01 59.261  0.5201 
1 1 1 13 5  3  o 3  2.08185e+02 1.65527e+01 6.11744e+01 253.425 -3.72324e-01 -1.25095e+00 0.00000e+00 0.00000e+00 3.97881e+01 253.425 2.13863e+01 73.425  0.5442 
1 1 1 13 5  4  o 13 1.17022e+02 2.03816e+01 2.40625e+01 349.946 3.10114e-01  -5.49808e-02 0.00000e+00 0.00000e+00 7.81074e+00 169.946 3.18732e+01 169.946 0.1556 
1 1 1 13 5  5  o 2  3.11792e+02 1.67277e+01 1.94611e+02 251.344 -2.16471e+00 -6.41165e+00 0.00000e+00 0.00000e+00 6.28588e+01 251.344 1.31752e+02 71.344  0.9228 
1 1 1 13 5  6  o 18 4.23837e+02 1.50609e+01 1.55865e+02 195.967 -8.73944e+00 -2.50047e+00 0.00000e+00 0.00000e+00 2.02876e+02 195.967 4.70110e+01 195.967 0.9433 
1 1 1 13 5  7  o 4  3.91341e+02 1.47065e+01 1.96479e+02 75.858  2.55229e+00  1.01297e+01  0.00000e+00 0.00000e+00 1.38515e+02 75.858  5.79642e+01 255.858 0.9509 
1 1 1 13 5  8  o 4  8.93919e+02 2.34657e+01 2.77242e+02 69.444  1.05368e+01  2.80977e+01  0.00000e+00 0.00000e+00 5.16987e+02 69.444  2.39746e+02 69.444  0.9832 
1 1 1 13 5  9  o 18 2.97788e+02 1.21796e+01 1.23265e+02 310.217 3.05665e+00  -3.61486e+00 0.00000e+00 0.00000e+00 1.16406e+02 310.217 6.85839e+00 130.217 0.8868 
1 1 1 13 5  10 o 9  5.68139e+02 1.51623e+01 1.82443e+02 338.067 1.23456e+01  -4.97123e+00 0.00000e+00 0.00000e+00 3.15787e+02 338.067 1.33345e+02 338.067 0.9617 
1 1 1 13 5  11 o 18 3.45672e+02 1.27461e+01 1.29286e+02 93.174  -3.80697e-01 6.86584e+00  0.00000e+00 0.00000e+00 1.63564e+02 93.174  3.42781e+01 93.174  0.9241 
1 1 1 13 5  12 o 17 1.28026e+02 1.68737e+01 5.52855e+01 120.199 -6.25022e-01 1.07393e+00  0.00000e+00 0.00000e+00 6.78187e+00 120.199 4.85036e+01 300.199 0.5258 
1 1 1 13 5  13 o 14 5.76349e+02 1.55613e+01 2.48686e+02 165.018 -3.12165e+01 8.35374e+00  0.00000e+00 0.00000e+00 2.77776e+02 165.018 2.90905e+01 165.018 0.9844 
1 1 1 13 5  14 o 16 1.72590e+02 1.69379e+01 1.40482e+02 124.254 -2.78649e+00 4.09183e+00  0.00000e+00 0.00000e+00 3.38264e+00 124.254 1.37099e+02 304.254 0.8922 
1 1 1 13 5  15 o 17 6.71575e+02 1.72786e+01 1.97479e+02 338.961 2.83890e+01  -1.09195e+01 0.00000e+00 0.00000e+00 4.24069e+02 338.961 2.26590e+02 338.961 0.9834 
1 1 1 13 5  16 o 6  2.56690e+02 1.47935e+01 1.34860e+02 257.475 -2.28354e+00 -1.02792e+01 0.00000e+00 0.00000e+00 9.67429e+01 257.475 3.81174e+01 77.475  0.9513 
1 1 1 13 5  17 o 13 2.22298e+02 1.60992e+01 4.85021e+01 105.781 -9.28776e-01 3.28635e+00  0.00000e+00 0.00000e+00 1.29356e+02 105.781 8.08538e+01 105.781 0.8365 
1 1 1 13 5  18 o 6  7.55879e+01 2.62149e+01 4.67595e+01 177.145 -1.25171e+00 6.24259e-02  0.00000e+00 0.00000e+00 8.17913e+00 357.145 5.49386e+01 357.145 0.5290 
1 1 1 13 5  19 o 4  1.66495e+02 1.97948e+01 4.05068e+01 80.530  4.15142e-01  2.48883e+00  0.00000e+00 0.00000e+00 8.39487e+01 80.530  4.34419e+01 80.530  0.7675 
1 1 1 13 5  20 o 19 1.05645e+02 3.08570e+01 2.58622e+01 345.936 1.03309e+00  -2.58802e-01 0.00000e+00 0.00000e+00 2.28665e+01 345.936 2.99565e+00 165.936 0.4690 
1 1 1 13 5  21 o 15 8.56407e+01 2.81302e+01 3.88940e+01 254.687 -4.09437e-01 -1.49535e+00 0.00000e+00 0.00000e+00 1.28818e+01 254.687 2.60122e+01 74.687  0.6083 
1 1 1 13 5  22 o 18 1.38508e+02 2.46713e+01 7.73587e+01 23.935  5.41182e+00  2.40215e+00  0.00000e+00 0.00000e+00 4.94222e+01 23.935  2.79366e+01 203.935 0.9111 
1 1 1 13 5  23 o 13 7.49768e+01 3.22677e+01 1.29466e+01 259.787 -9.97510e-02 -5.53666e-01 0.00000e+00 0.00000e+00 7.67767e+00 259.787 5.26896e+00 79.787  0.2707 
1 1 1 13 5  24 o 7  1.35004e+02 2.90103e+01 6.07480e+01 162.853 -5.39609e+00 1.66487e+00  0.00000e+00 0.00000e+00 6.50855e+01 162.853 4.33748e+00 162.853 0.9065 
1 1 1 13 5  25 o 12 1.16922e+02 2.94039e+01 3.75900e+01 169.470 -3.43130e+00 6.37787e-01  0.00000e+00 0.00000e+00 6.47214e+01 169.470 2.71313e+01 169.470 0.8406 
1 1 1 13 5  26 f 0  9.25851e+01 3.10594e+01 4.03363e+01 4.036   3.10873e+00  2.19331e-01  0.00000e+00 0.00000e+00 3.95468e+01 4.036   7.89454e-01 184.036 0.8182 
1 1 1 13 5  27 o 15 8.09337e+01 3.12929e+01 1.29362e+01 147.319 -8.20933e-01 5.26649e-01  0.00000e+00 0.00000e+00 2.49106e+01 147.319 1.19744e+01 147.319 0.4376 
1 1 1 13 5  28 o 14 5.66402e+01 2.56245e+01 2.63444e+01 276.190 1.91825e-01  -1.76863e+00 0.00000e+00 0.00000e+00 1.40357e+01 276.190 1.23087e+01 96.190  0.6579 
1 1 1 13 5  29 f 0  6.46620e+01 2.80544e+01 2.98772e+01 358.146 2.42646e+00  -7.85273e-02 0.00000e+00 0.00000e+00 2.39241e+01 358.146 5.95317e+00 178.146 0.7569 
1 1 1 13 5  30 o 15 5.33549e+01 2.48009e+01 1.05110e+01 144.081 -7.52269e-01 5.44927e-01  0.00000e+00 0.00000e+00 1.45293e+01 144.081 4.01828e+00 144.081 0.4206 
1 1 1 13 5  31 o 18 7.09230e+01 2.95716e+01 1.66789e+01 135.635 -1.20973e+00 1.18319e+00  0.00000e+00 0.00000e+00 3.47646e+01 135.635 1.80857e+01 135.635 0.6402 
1 1 1 13 6  0  o 15 2.98316e+02 2.40519e+01 8.58379e+00 90.000  8.87938e-18  1.45011e-01  0.00000e+00 0.00000e+00 2.98395e+01 90.000  2.12557e+01 90.000  0.1440 
1 1 1 13 6  1  o 19 4.33309e+02 1.84559e+01 2.65605e+02 77.334  2.84757e+00  1.26710e+01  0.00000e+00 0.00000e+00 1.06820e+02 77.334  1.58785e+02 257.334 0.9607 
1 1 1 13 6  2  o 12 3.00923e+02 2.33741e+01 1.17524e+02 327.899 3.33512e+00  -2.09218e+00 0.00000e+00 0.00000e+00 1.14467e+02 327.899 3.05679e+00 147.899 0.8611 
1 1 1 13 6  3  o 14 2.98857e+02 2.34903e+01 1.78118e+02 253.760 -1.64795e+00 -5.65767e+00 0.00000e+00 0.00000e+00 6.58605e+01 253.760 1.12257e+02 73.760  0.9107 
1 1 1 13 6  4  o 2  6.23059e+02 2.22638e+01 2.59694e+02 186.051 -1.77302e+01 -1.87939e+00 0.00000e+00 0.00000e+00 2.83916e+02 186.051 2.42214e+01 186.051 0.9715 
1 1 1 13 6  5  o 18 5.77779e+02 2.12869e+01 1.92504e+02 141.740 -1.18612e+01 9.35408e+00  0.00000e+00 0.00000e+00 3.10028e+02 141.740 1.17525e+02 141.740 0.9663 
1 1 1 13 6  6  o 6  1.84420e+02 1.45580e+01 7.47186e+01 74.943  4.87886e-01  1.81362e+00  0.00000e+00 0.00000e+00 3.79223e+01 74.943  3.67963e+01 254.943 0.6767 
1 1 1 13 6  7  o 11 4.55690e+02 1.55385e+01 1.93820e+02 28.334  9.62220e+00  5.18836e+00  0.00000e+00 0.00000e+00 1.99478e+02 28.334  5.65874e+00 28.334  0.9531 
1 1 1 13 6  8  o 3  4.80141e+02 1.58763e+01 1.87954e+02 245.048 -4.91338e+00 -1.05597e+01 0.00000e+00 0.00000e+00 2.29306e+02 245.048 4.13516e+01 245.048 0.9561 
1 1 1 13 6  9  o 18 6.28863e+02 1.84167e+01 2.50412e+02 318.423 1.51566e+01  -1.34459e+01 0.00000e+00 0.00000e+00 3.09318e+02 318.423 5.89060e+01 318.423 0.9750 
1 1 1 13 6  10 o 16 7.79666e+02 1.84087e+01 2.31453e+02 0.656   2.76976e+01  3.16986e-01  0.00000e+00 0.00000e+00 4.70683e+02 0.656   2.39230e+02 0.656   0.9818 
1 1 1 13 6  11 o 5  3.86739e+02 1.31525e+01 1.48675e+02 193.682 -1.00117e+01 -2.43727e+00 0.00000e+00 0.00000e+00 1.90180e+02 193.682 4.15042e+01 193.682 0.9502 
1 1 1 13 6  12 f 0  4.02358e+02 1.35197e+01 1.25408e+02 161.479 -9.39893e+00 3.14867e+00  0.00000e+00 0.00000e+00 2.28425e+02 161.479 1.03018e+02 161.479 0.9481 
1 1 1 13 6  13 o 15 1.22599e+02 1.85521e+01 4.77525e+01 304.753 7.38818e-01  -1.06488e+00 0.00000e+00 0.00000e+00 1.42155e+01 304.753 3.35371e+01 124.753 0.5415 
1 1 1 13 6  14 o 15 2.34370e+02 1.43300e+01 6.76130e+01 142.236 -2.94549e+00 2.28179e+00  0.00000e+00 0.00000e+00 1.20058e+02 142.236 5.24455e+01 142.236 0.8521 
1 1 1 13 6  15 o 7  2.51595e+02 1.44744e+01 1.57417e+02 82.484  1.24543e+00  9.43974e+00  0.00000e+00 0.00000e+00 6.78774e+01 82.484  8.95398e+01 262.484 0.9459 
1 1 1 13 6  16 o 16 4.21242e+02 1.46856e+01 1.79478e+02 337.992 2.30797e+01  -9.32871e+00 0.00000e+00 0.00000e+00 2.14262e+02 337.992 3.47845e+01 337.992 0.9797 
1 1 1 13 6  17 o 9  5.56611e+01 2.35430e+01 5.07163e+01 265.270 -7.01720e-02 -8.48049e-01 0.00000e+00 0.00000e+00 2.97736e+01 85.270  8.04900e+01 85.270  0.3911 
1 1 1 13 6  18 o 19 5.72035e+02 1.66492e+01 1.74255e+02 186.410 -3.75727e+01 -4.22096e+00 0.00000e+00 0.00000e+00 3.73558e+02 186.410 1.99303e+02 186.410 0.9867 
1 1 1 13 6  19 o 7  1.42465e+02 2.63361e+01 5.32724e+01 185.378 -3.01142e+00 -2.83484e-01 0.00000e+00 0.00000e+00 6.00296e+01 185.378 6.75720e+00 185.378 0.8118 
1 1 1 13 6  20 o 12 2.04513e+02 3.44447e+01 9.31324e+01 331.650 5.66974e+00  -3.05920e+00 0.00000e+00 0.00000e+00 9.27600e+01 331.650 3.72334e-01 151.650 0.9187 
1 1 1 13 6  21 o 1  5.59504e+01 2.44662e+01 7.46070e+01 15.519  1.95117e+00  5.41787e-01  0.00000e+00 0.00000e+00 3.53531e+01 195.519 1.09960e+02 195.519 0.7018 
1 1 1 13 6  22 o 5  1.96835e+02 1.96976e+01 6.15508e+01 71.156  2.29484e+00  6.72394e+00  0.00000e+00 0.00000e+00 1.22776e+02 71.156  6.12248e+01 71.156  0.9267 
1 1 1 13 6  23 o 8  7.57733e+01 3.50569e+01 3.20173e+01 161.883 -1.34940e+00 4.41484e-01  0.00000e+00 0.00000e+00 1.25658e+01 161.883 1.94515e+01 341.883 0.5757 
1 1 1 13 6  24 o 13 5.48389e+01 2.60918e+01 4.42936e+01 223.562 -1.45754e+00 -1.38615e+00 0.00000e+00 0.00000e+00 4.61157e+00 43.562  4.89052e+01 43.562  0.6996 
1 1 1 13 6  25 o 3  9.63387e+01 3.08067e+01 3.23773e+01 280.551 4.56769e-01  -2.45225e+00 0.00000e+00 0.00000e+00 4.47327e+01 280.551 1.23553e+01 280.551 0.7644 
1 1 1 13 6  26 o 12 1.05937e+02 3.05161e+01 4.66078e+01 77.147  9.26923e-01  4.06250e+00  0.00000e+00 0.00000e+00 5.11096e+01 77.147  4.50182e+00 77.147  0.8696 
1 1 1 13 6  27 o 16 7.84287e+01 3.04824e+01 5.34949e+00 190.560 -4.34739e-01 -8.10424e-02 0.00000e+00 0.00000e+00 1.28505e+01 190.560 7.50103e+00 190.560 0.2159 
1 1 1 13 6  28 o 2  9.11931e+01 3.11661e+01 4.02302e+01 293.650 1.54334e+00  -3.52417e+00 0.00000e+00 0.00000e+00 4.49905e+01 293.650 4.76029e+00 293.650 0.8574 
1 1 1 13 6  29 o 10 6.00404e+01 2.68705e+01 1.59949e+01 121.578 -7.50739e-01 1.22138e+00  0.00000e+00 0.00000e+00 2.24641e+01 121.578 6.46916e+00 121.578 0.5793 
1 1 1 13 6  30 o 10 5.19941e+01 2.44724e+01 1.17900e+01 249.758 -3.69109e-01 -1.00094e+00 0.00000e+00 0.00000e+00 1.56110e+01 249.758 3.82104e+00 249.758 0.4696 
1 1 1 13 7  0  o 19 2.11253e+02 2.45277e+01 1.09453e+02 270.000 -7.90931e-17 -1.29169e+00 0.00000e+00 0.00000e+00 5.40927e+01 270.000 5.53608e+01 90.000  0.8596 
1 1 1 13 7  1  o 4  2.27734e+02 1.66087e+01 9.80614e+01 345.795 2.41925e+00  -6.12386e-01 0.00000e+00 0.00000e+00 5.87864e+01 345.795 3.92751e+01 165.795 0.7645 
1 1 1 13 7  2  o 13 3.08992e+02 2.38017e+01 4.22529e+01 127.950 -1.09287e+00 1.40134e+00  0.00000e+00 0.00000e+00 1.40926e+02 127.950 9.86734e+01 127.950 0.6576 
1 1 1 13 7  3  o 18 1.93220e+02 2.37219e+01 1.41254e+02 199.373 -3.48751e+00 -1.22630e+00 0.00000e+00 0.00000e+00 7.13510e+00 199.373 1.34119e+02 19.373  0.8508 
1 1 1 13 7  4  o 16 2.94443e+02 1.67579e+01 8.75965e+01 353.518 3.50665e+00  -3.98436e-01 0.00000e+00 0.00000e+00 1.36760e+02 353.518 4.91637e+01 353.518 0.8426 
1 1 1 13 7  5  o 4  2.27274e+02 1.66229e+01 8.72548e+01 219.313 -1.91844e+00 -1.57093e+00 0.00000e+00 0.00000e+00 6.98647e+01 219.313 1.73900e+01 39.313  0.7628 
1 1 1 13 7  6  o 11 1.11527e+02 1.89741e+01 1.27883e+02 117.723 -8.16684e-01 1.55402e+00  0.00000e+00 0.00000e+00 6.16665e+01 297.723 1.89550e+02 297.723 0.6533 
1 1 1 13 7  7  o 15 8.39181e+02 2.24457e+01 3.06674e+02 45.449  2.30307e+01  2.33944e+01  0.00000e+00 0.00000e+00 4.46786e+02 45.449  1.40111e+02 45.449  0.9846 
1 1 1 13 7  8  o 17 1.39008e+02 1.72887e+01 9.72679e+01 264.109 -1.79860e-01 -1.74316e+00 0.00000e+00 0.00000e+00 1.42310e+01 84.109  1.11499e+02 84.109  0.6526 
1 1 1 13 7  9  o 5  5.18005e+02 1.65631e+01 1.38878e+02 197.535 -1.06483e+01 -3.36445e+00 0.00000e+00 0.00000e+00 3.15444e+02 197.535 1.76565e+02 197.535 0.9541 
1 1 1 13 7  10 o 6  5.31678e+02 1.47117e+01 1.11326e+02 127.349 -6.46546e+00 8.47202e+00  0.00000e+00 0.00000e+00 3.56119e+02 127.349 2.44793e+02 127.349 0.9519 
1 1 1 13 7  11 o 12 1.25494e+02 1.73039e+01 1.06450e+01 111.323 -9.53380e-02 2.44242e-01  0.00000e+00 0.00000e+00 4.50151e+00 111.323 6.14348e+00 291.323 0.1300 
1 1 1 13 7  12 o 18 3.45927e+02 1.34483e+01 6.36357e+01 170.794 -4.94781e+00 8.01916e-01  0.00000e+00 0.00000e+00 2.25092e+02 170.794 1.61456e+02 170.794 0.8937 
1 1 1 13 7  13 o 16 2.52803e+02 1.36936e+01 3.10720e+01 18.205  1.54604e+00  5.08468e-01  0.00000e+00 0.00000e+00 1.17692e+02 18.205  8.66198e+01 18.205  0.6261 
1 1 1 13 7  14 o 11 5.15677e+02 1.50919e+01 2.15710e+02 339.104 2.41748e+01  -9.22952e+00 0.00000e+00 0.00000e+00 2.62744e+02 339.104 4.70341e+01 339.104 0.9805 
1 1 1 13 7  15 o 13 1.45204e+02 1.92918e+01 6.41204e+01 242.013 -1.31006e+00 -2.46518e+00 0.00000e+00 0.00000e+00 4.56852e+01 242.013 1.84352e+01 62.013  0.7933 
1 1 1 13 7  16 o 3  5.89481e+02 1.88414e+01 1.79453e+02 99.231  -5.42867e+00 3.34047e+01  0.00000e+00 0.00000e+00 3.78438e+02 99.231  1.98985e+02 99.231  0.9851 
1 1 1 13 7  17 o 8  9.32524e+01 2.54765e+01 7.33214e+01 41.159  1.48222e+00  1.29571e+00  0.00000e+00 0.00000e+00 1.07564e+01 221.159 8.40778e+01 221.159 0.6926 
1 1 1 13 7  18 o 15 1.10421e+02 2.50987e+01 6.49460e+01 274.951 2.24104e-01  -2.58718e+00 0.00000e+00 0.00000e+00 1.87046e+01 274.951 4.62414e+01 94.951  0.7751 
1 1 1 13 7  19 o 7  2.27716e+02 2.07265e+01 7.23760e+01 164.801 -6.96511e+00 1.89231e+00  0.00000e+00 0.00000e+00 1.36064e+02 164.801 6.36877e+01 164.801 0.9279 
1 1 1 13 7  20 o 10 5.68378e+01 2.48383e+01 2.97714e+01 211.241 -5.69929e-01 -3.45723e-01 0.00000e+00 0.00000e+00 1.18750e+01 31.241  4.16464e+01 31.241  0.3161 
1 1 1 13 7  21 o 6  1.62783e+02 2.73999e+01 4.86595e+01 57.876  2.13755e+00  3.40445e+00  0.00000e+00 0.00000e+00 9.29588e+01 57.876  4.42993e+01 57.876  0.8643 
1 1 1 13 7  22 o 12 7.72774e+01 2.84926e+01 4.17009e+01 237.926 -9.53551e-01 -1.52162e+00 0.00000e+00 0.00000e+00 1.02932e+01 237.926 3.14077e+01 57.926  0.6612 
1 1 1 13 7  23 o 7  1.10895e+02 3.08690e+01 5.81858e+01 237.593 -2.19581e+00 -3.45906e+00 0.00000e+00 0.00000e+00 4.07838e+01 237.593 1.74020e+01 57.593  0.8672 
1 1 1 13 7  24 o 17 9.80824e+01 3.46659e+01 5.90165e+01 31.299  3.55968e+00  2.16421e+00  0.00000e+00 0.00000e+00 2.98128e+01 31.299  2.92037e+01 211.299 0.8696 
1 1 1 13 7  25 o 2  8.48591e+01 3.03434e+01 3.92491e+01 2.897   2.68048e+00  1.35663e-01  0.00000e+00 0.00000e+00 3.08642e+01 2.897   8.38488e+00 182.897 0.7836 
1 1 1 13 7  26 f 0  5.71442e+01 2.65160e+01 3.46348e+01 187.595 -1.91926e+00 -2.55927e-01 0.00000e+00 0.00000e+00 7.29602e+00 187.595 2.73388e+01 7.595   0.6870 
1 1 1 13 7  27 o 14 5.67910e+01 2.56451e+01 1.49684e+01 214.810 -8.45446e-01 -5.87814e-01 0.00000e+00 0.00000e+00 1.31130e+01 214.810 1.85544e+00 34.810  0.4568 
1 1 1 13 7  28 o 17 7.99619e+01 3.13160e+01 2.94322e+01 13.105  2.59698e+00  6.04573e-01  0.00000e+00 0.00000e+00 3.91925e+01 13.105  9.76035e+00 13.105  0.7819 
1 1 1 13 7  29 o 13 4.96785e+01 2.36627e+01 2.61888e+01 138.014 -1.65972e+00 1.49370e+00  0.00000e+00 0.00000e+00 1.43305e+01 138.014 1.18583e+01 318.014 0.7325 
1 1 1 13 7  30 o 11 7.56516e+01 3.03816e+01 1.72945e+01 109.569 -5.76408e-01 1.62153e+00  0.00000e+00 0.00000e+00 3.79523e+01 109.569 2.06578e+01 109.569 0.6462 
1 1 1 13 8  0  o 12 1.99379e+02 2.48511e+01 6.90269e+01 270.000 -5.76820e-17 -9.42018e-01 0.00000e+00 0.00000e+00 6.42251e+01 270.000 4.80176e+00 90.000  0.7361 
1 1 1 13 8  1  o 10 1.36026e+02 1.91870e+01 3.01443e+01 45.141  3.94084e-01  3.96034e-01  0.00000e+00 0.00000e+00 3.08278e+00 45.141  2.70616e+01 225.141 0.2690 
1 1 1 13 8  2  o 16 3.53779e+02 1.73485e+01 1.49590e+02 225.560 -5.05439e+00 -5.15419e+00 0.00000e+00 0.00000e+00 1.48743e+02 225.560 8.46971e-01 45.560  0.9279 
1 1 1 13 8  3  o 11 4.68920e+02 2.70084e+01 1.98684e+02 244.538 -4.89293e+00 -1.02758e+01 0.00000e+00 0.00000e+00 2.08808e+02 244.538 1.01249e+01 244.538 0.9550 
1 1 1 13 8  4  o 1  5.72925e+02 2.12823e+01 2.07946e+02 152.025 -1.29633e+01 6.88535e+00  0.00000e+00 0.00000e+00 2.96190e+02 152.025 8.82441e+01 152.025 0.9653 
1 1 1 13 8  5  o 4  5.80857e+02 1.76602e+01 2.45259e+02 23.959  1.69633e+01  7.53794e+00  0.00000e+00 0.00000e+00 2.70928e+02 23.959  2.56691e+01 23.959  0.9727 
1 1 1 13 8  6  o 3  9.09816e+02 2.38798e+01 2.85373e+02 352.549 3.26917e+01  -4.27567e+00 0.00000e+00 0.00000e+00 5.35426e+02 352.549 2.50053e+02 352.549 0.9847 
1 1 1 13 8  7  o 17 5.79673e+02 1.75506e+01 2.43343e+02 163.303 -1.75260e+01 5.25687e+00  0.00000e+00 0.00000e+00 2.74705e+02 163.303 3.13620e+01 163.303 0.9723 
1 1 1 13 8  8  o 11 3.93060e+02 1.48987e+01 9.98898e+01 3.908   6.12332e+00  4.18309e-01  0.00000e+00 0.00000e+00 2.31741e+02 3.908   1.31852e+02 3.908   0.9144 
1 1 1 13 8  9  o 9  5.77853e+02 1.76400e+01 2.15802e+02 0.108   1.90777e+01  3.60344e-02  0.00000e+00 0.00000e+00 3.05418e+02 0.108   8.96162e+01 0.108   0.9734 
1 1 1 13 8  10 o 5  5.08657e+02 1.67805e+01 1.72120e+02 203.580 -1.42066e+01 -6.20075e+00 0.00000e+00 0.00000e+00 2.85934e+02 203.580 1.13814e+02 203.580 0.9672 
1 1 1 13 8  11 o 7  4.73671e+02 1.61606e+01 1.25000e+02 105.307 -3.04526e+00 1.11263e+01  0.00000e+00 0.00000e+00 2.98685e+02 105.307 1.73686e+02 105.307 0.9556 
1 1 1 13 8  12 o 12 1.62775e+02 1.58716e+01 5.71140e+01 172.908 -1.91764e+00 2.38591e-01  0.00000e+00 0.00000e+00 4.80675e+01 172.908 9.04651e+00 352.908 0.6864 
1 1 1 13 8  13 o 13 2.05541e+02 1.90536e+01 2.80598e+01 267.538 -5.73780e-02 -1.33474e+00 0.00000e+00 0.00000e+00 7.96058e+01 267.538 5.15459e+01 267.538 0.5529 
1 1 1 13 8  14 o 9  3.32497e+02 1.40863e+01 1.86707e+02 15.147  1.44840e+01  3.92091e+00  0.00000e+00 0.00000e+00 1.19699e+02 15.147  6.70076e+01 195.147 0.9661 
1 1 1 13 8  15 o 7  3.17514e+02 1.44100e+01 1.57230e+02 302.715 8.94437e+00  -1.39240e+01 0.00000e+00 0.00000e+00 1.38497e+02 302.715 1.87334e+01 122.715 0.9693 
1 1 1 13 8  16 o 7  1.95740e+02 1.64368e+01 1.06748e+02 191.415 -6.48267e+00 -1.30889e+00 0.00000e+00 0.00000e+00 6.78259e+01 191.415 3.89225e+01 11.415  0.9209 
1 1 1 13 8  17 o 16 1.46346e+02 2.05646e+01 8.05813e+01 188.297 -4.34259e+00 -6.33308e-01 0.00000e+00 0.00000e+00 4.47448e+01 188.297 3.58365e+01 8.297   0.8770 
1 1 1 13 8  18 o 6  9.21703e+01 3.75549e+01 5.90138e+01 312.221 1.28550e+00  -1.41665e+00 0.00000e+00 0.00000e+00 3.00068e+00 312.221 5.60131e+01 132.221 0.6829 
1 1 1 13 8  19 o 10 1.09275e+02 2.96596e+01 8.24155e+01 47.126  2.20249e+00  2.37232e+00  0.00000e+00 0.00000e+00 7.35166e+00 47.126  7.50639e+01 227.126 0.8261 
1 1 1 13 8  20 o 18 1.73110e+02 3.33027e+01 9.44065e+01 72.296  2.16153e+00  6.77139e+00  0.00000e+00 0.00000e+00 6.66977e+01 72.296  2.77088e+01 252.296 0.9267 
1 1 1 13 8  21 o 5  1.80773e+02 1.96859e+01 3.56946e+01 66.319  1.53558e+00  3.50127e+00  0.00000e+00 0.00000e+00 1.21384e+02 66.319  8.56896e+01 66.319  0.8564 
1 1 1 13 8  22 o 13 9.87820e+01 3.02771e+01 4.82522e+01 215.889 -2.33284e+00 -1.68802e+00 0.00000e+00 0.00000e+00 3.28749e+01 215.889 1.53773e+01 35.889  0.8007 
1 1 1 13 8  23 o 1  1.13099e+02 3.11677e+01 8.11782e+01 215.275 -4.95394e+00 -3.50434e+00 0.00000e+00 0.00000e+00 2.59948e+01 215.275 5.51834e+01 35.275  0.9134 
1 1 1 13 8  24 o 16 9.61956e+01 3.83689e+01 7.26978e+01 318.476 3.32819e+00  -2.94702e+00 0.00000e+00 0.00000e+00 1.60404e+01 318.476 5.66574e+01 138.476 0.8787 
1 1 1 13 8  25 o 17 9.54304e+01 3.04911e+01 4.64296e+01 87.686  1.48565e-01  3.67631e+00  0.00000e+00 0.00000e+00 3.97805e+01 87.686  6.64911e+00 267.686 0.8499 
1 1 1 13 8  26 o 6  7.33621e+01 2.89025e+01 1.18175e+01 182.624 -8.71974e-01 -3.99560e-02 0.00000e+00 0.00000e+00 1.97399e+01 182.624 7.92243e+00 182.624 0.3995 
1 1 1 13 8  27 f 0  1.52056e+02 2.51615e+01 7.06896e+01 310.316 8.45701e+00  -9.96657e+00 0.00000e+00 0.00000e+00 8.87422e+01 310.316 1.80526e+01 310.316 0.9610 
1 1 1 13 8  28 o 16 7.69860e+01 3.09354e+01 3.20673e+01 114.906 -1.18909e+00 2.56093e+00  0.00000e+00 0.00000e+00 3.57343e+01 114.906 3.66696e+00 114.906 0.7960 
1 1 1 13 8  29 o 18 4.99970e+01 2.43335e+01 8.47226e+00 140.343 -5.35669e-01 4.44046e-01  0.00000e+00 0.00000e+00 9.95636e+00 140.343 1.48410e+00 140.343 0.3284 
1 1 1 13 8  30 o 5  5.25622e+01 2.47510e+01 1.58130e+01 335.933 1.37648e+00  -6.14787e-01 0.00000e+00 0.00000e+00 1.99937e+01 335.933 4.18074e+00 335.933 0.5980 
1 1 1 13 9  0  o 7  2.76033e+02 2.41189e+01 1.71887e+02 90.000  1.80695e-16  2.95097e+00  0.00000e+00 0.00000e+00 7.96216e+01 90.000  9.22651e+01 270.000 0.9945 
1 1 1 13 9  1  o 12 1.12706e+02 2.08566e+01 4.73739e+01 132.342 -4.43276e-01 4.86429e-01  0.00000e+00 0.00000e+00 1.51052e+01 312.342 6.24791e+01 312.342 0.3124 
1 1 1 13 9  2  o 2  4.08079e+02 1.81778e+01 1.86239e+02 232.933 -5.66312e+00 -7.49701e+00 0.00000e+00 0.00000e+00 1.67485e+02 232.933 1.87541e+01 52.933  0.9452 
1 1 1 13 9  3  o 3  3.34558e+02 2.42383e+01 1.48479e+02 103.277 -1.46314e+00 6.20044e+00  0.00000e+00 0.00000e+00 1.33458e+02 103.277 1.50216e+01 283.277 0.9178 
1 1 1 13 9  5  o 18 1.57953e+02 2.02652e+01 5.89216e+01 298.600 5.79016e-01  -1.06199e+00 0.00000e+00 0.00000e+00 1.61823e+01 298.600 4.27393e+01 118.600 0.5157 
1 1 1 13 9  6  o 18 7.05566e+02 1.98350e+01 2.69779e+02 29.719  2.12885e+01  1.21521e+01  0.00000e+00 0.00000e+00 3.69072e+02 29.719  9.92939e+01 29.719  0.9794 
1 1 1 13 9  7  o 5  4.52890e+02 1.56659e+01 1.92618e+02 267.194 -6.66219e-01 -1.35951e+01 0.00000e+00 0.00000e+00 2.11717e+02 267.194 1.90995e+01 267.194 0.9625 
1 1 1 13 9  8  o 9  2.02930e+02 1.49945e+01 1.09235e+02 154.257 -3.61681e+00 1.74397e+00  0.00000e+00 0.00000e+00 5.40288e+01 154.257 5.52058e+01 334.257 0.8641 
1 1 1 13 9  9  o 16 3.86630e+02 1.51648e+01 2.03720e+02 111.369 -5.12078e+00 1.30875e+01  0.00000e+00 0.00000e+00 1.44691e+02 111.369 5.90287e+01 291.369 0.9637 
1 1 1 13 9  10 o 6  3.21335e+02 1.51013e+01 1.22774e+02 311.534 5.13808e+00  -5.80062e+00 0.00000e+00 0.00000e+00 1.58921e+02 311.534 3.61476e+01 311.534 0.9330 
1 1 1 13 9  11 o 12 2.86730e+02 1.31505e+01 8.62436e+01 281.861 1.15407e+00  -5.49501e+00 0.00000e+00 0.00000e+00 1.59105e+02 281.861 7.28615e+01 281.861 0.9059 
1 1 1 13 9  12 o 6  1.41620e+02 1.72998e+01 2.98480e+01 336.995 9.14845e-01  -3.88426e-01 0.00000e+00 0.00000e+00 2.99189e+01 336.995 7.09226e-02 336.995 0.4442 
1 1 1 13 9  13 o 1  2.60944e+02 1.75920e+01 1.24769e+02 47.942  5.25294e+00  5.82207e+00  0.00000e+00 0.00000e+00 1.08206e+02 47.942  1.65632e+01 227.942 0.9339 
1 1 1 13 9  14 o 5  1.09784e+02 2.27589e+01 3.38887e+01 125.237 -6.31297e-01 8.93710e-01  0.00000e+00 0.00000e+00 1.67051e+01 125.237 1.71836e+01 305.237 0.4788 
1 1 1 13 9  15 o 12 1.81336e+02 1.67885e+01 7.65692e+01 210.469 -3.82348e+00 -2.24940e+00 0.00000e+00 0.00000e+00 7.78833e+01 210.469 1.31411e+00 210.469 0.8784 
1 1 1 13 9  16 o 1  2.95880e+02 1.47168e+01 7.72277e+01 271.000 1.22803e-01  -7.03445e+00 0.00000e+00 0.00000e+00 1.90500e+02 271.000 1.13273e+02 271.000 0.9259 
1 1 1 13 9  17 o 5  8.66451e+01 2.59624e+01 2.16700e+01 295.504 2.91897e-01  -6.11867e-01 0.00000e+00 0.00000e+00 5.72645e+00 295.504 1.59435e+01 115.504 0.3209 
1 1 1 13 9  19 o 5  2.52196e+02 2.80831e+01 7.08008e+01 41.695  5.11409e+00  4.55566e+00  0.00000e+00 0.00000e+00 1.62986e+02 41.695  9.21856e+01 41.695  0.9238 
1 1 1 13 9  20 o 8  1.82962e+02 3.22797e+01 1.37822e+02 279.977 2.07547e+00  -1.17985e+01 0.00000e+00 0.00000e+00 3.96723e+01 279.977 9.81497e+01 99.977  0.9573 
1 1 1 13 9  21 o 16 1.54591e+02 2.26179e+01 6.05684e+01 261.669 -8.32906e-01 -5.68814e+00 0.00000e+00 0.00000e+00 8.31995e+01 261.669 2.26311e+01 261.669 0.9083 
1 1 1 13 9  22 o 8  8.04252e+01 3.01204e+01 3.61405e+01 16.374  1.80876e+00  5.31442e-01  0.00000e+00 0.00000e+00 2.03001e+01 16.374  1.58404e+01 196.374 0.6780 
1 1 1 13 9  23 o 15 6.64608e+01 2.77614e+01 4.01060e+01 110.135 -7.33234e-01 1.99982e+00  0.00000e+00 0.00000e+00 9.85092e+00 110.135 3.02551e+01 290.135 0.7180 
1 1 1 13 9  24 o 9  5.96511e+01 2.76990e+01 3.36343e+01 120.398 -8.80799e-01 1.50138e+00  0.00000e+00 0.00000e+00 7.45678e+00 120.398 2.61775e+01 300.398 0.6503 
1 1 1 13 9  25 f 0  9.13478e+01 3.38171e+01 5.91658e+01 228.668 -2.75189e+00 -3.12892e+00 0.00000e+00 0.00000e+00 2.60373e+01 228.668 3.31286e+01 48.668  0.8696 
1 1 1 13 9  26 o 13 6.71843e+01 2.79598e+01 2.42768e+01 80.196  3.19636e-01  1.84964e+00  0.00000e+00 0.00000e+00 2.51025e+01 80.196  8.25707e-01 80.196  0.6765 
1 1 1 13 9  27 o 9  8.82383e+01 3.10747e+01 2.68008e+01 46.160  1.72273e+00  1.79393e+00  0.00000e+00 0.00000e+00 4.73855e+01 46.160  2.05848e+01 46.160  0.7636 
1 1 1 13 9  28 o 9  7.88648e+01 3.14803e+01 2.49158e+01 237.007 -1.17293e+00 -1.80665e+00 0.00000e+00 0.00000e+00 3.86107e+01 237.007 1.36949e+01 237.007 0.7215 
1 1 1 13 9  29 o 13 5.81509e+01 2.61682e+01 7.61039e+00 277.548 9.00917e-02  -6.79931e-01 0.00000e+00 0.00000e+00 1.37439e+01 277.548 6.13355e+00 277.548 0.3242 
1 1 1 13 9  30 o 1  6.27660e+01 2.77755e+01 3.04031e+01 323.058 2.36647e+00  -1.77949e+00 0.00000e+00 0.00000e+00 2.78283e+01 323.058 2.57477e+00 143.058 0.8071 
1 1 1 13 10 0  o 1  4.09386e+02 2.57747e+01 1.01818e+02 90.000  1.64855e-16  2.69228e+00  0.00000e+00 0.00000e+00 2.73599e+02 90.000  1.71782e+02 90.000  0.9909 
1 1 1 13 10 1  o 15 8.34931e+01 2.35430e+01 3.86080e+01 16.155  3.94359e-01  1.14233e-01  0.00000e+00 0.00000e+00 2.30666e+01 196.155 6.16746e+01 196.155 0.2011 
1 1 1 13 10 2  o 11 2.54395e+02 1.66621e+01 1.61324e+02 307.089 3.25416e+00  -4.30455e+00 0.00000e+00 0.00000e+00 5.12134e+01 307.089 1.10110e+02 127.089 0.9018 
1 1 1 13 10 3  o 16 2.41800e+02 1.70118e+01 1.44755e+02 136.302 -3.30946e+00 3.16236e+00  0.00000e+00 0.00000e+00 5.31938e+01 136.302 9.15611e+01 316.302 0.8826 
1 1 1 13 10 5  o 9  2.38224e+02 1.74877e+01 9.98037e+01 294.970 1.56913e+00  -3.36952e+00 0.00000e+00 0.00000e+00 8.91546e+01 294.970 1.06491e+01 114.971 0.8517 
1 1 1 13 10 6  o 16 4.79773e+02 1.61402e+01 1.60799e+02 191.891 -1.17252e+01 -2.46887e+00 0.00000e+00 0.00000e+00 2.68143e+02 191.891 1.07344e+02 191.891 0.9573 
1 1 1 13 10 7  o 6  4.86340e+02 1.62126e+01 1.63430e+02 354.481 1.42625e+01  -1.37807e+00 0.00000e+00 0.00000e+00 2.76061e+02 354.481 1.12631e+02 354.481 0.9644 
1 1 1 13 10 8  o 5  5.36328e+02 1.70341e+01 1.79834e+02 343.569 1.83594e+01  -5.41420e+00 0.00000e+00 0.00000e+00 3.11241e+02 343.569 1.31407e+02 343.569 0.9735 
1 1 1 13 10 9  o 6  3.49737e+02 1.78244e+01 1.28782e+02 142.873 -8.18094e+00 6.19322e+00  0.00000e+00 0.00000e+00 1.85035e+02 142.873 5.62523e+01 142.873 0.9499 
1 1 1 13 10 10 o 11 5.36245e+02 1.74561e+01 1.97252e+02 152.197 -1.95467e+01 1.03069e+01  0.00000e+00 0.00000e+00 3.00051e+02 152.197 1.02799e+02 152.197 0.9771 
1 1 1 13 10 11 o 1  1.69299e+02 1.88053e+01 5.65364e+01 246.376 -9.00976e-01 -2.05990e+00 0.00000e+00 0.00000e+00 6.21312e+01 246.376 5.59484e+00 246.376 0.7346 
1 1 1 13 10 12 o 16 4.50419e+02 1.45349e+01 1.59547e+02 325.559 1.45338e+01  -9.96693e+00 0.00000e+00 0.00000e+00 2.60271e+02 325.559 1.00724e+02 325.559 0.9712 
1 1 1 13 10 13 o 8  2.63099e+02 1.43989e+01 1.17960e+02 4.889   9.58789e+00  8.20151e-01  0.00000e+00 0.00000e+00 1.22544e+02 4.889   4.58364e+00 4.889   0.9465 
1 1 1 13 10 14 f 0  8.71451e+01 2.46116e+01 4.90894e+01 273.330 7.73814e-02  -1.33006e+00 0.00000e+00 0.00000e+00 2.32594e+00 93.330  5.14154e+01 93.330  0.5519 
1 1 1 13 10 15 o 12 5.60599e+01 2.33682e+01 4.86670e+01 182.641 -8.07119e-01 -3.72239e-02 0.00000e+00 0.00000e+00 2.81167e+01 2.641   7.67836e+01 2.641   0.3742 
1 1 1 13 10 16 o 5  6.75084e+01 2.51030e+01 8.38629e+01 75.105  5.34851e-01  2.01081e+00  0.00000e+00 0.00000e+00 3.65061e+01 255.105 1.20369e+02 255.105 0.7106 
1 1 1 13 10 17 o 3  1.32407e+02 2.24471e+01 8.08545e+00 102.175 -9.45133e-02 4.38065e-01  0.00000e+00 0.00000e+00 2.07307e+01 102.175 1.26453e+01 102.175 0.2186 
1 1 1 13 10 18 o 6  7.11020e+01 2.80653e+01 1.76518e+01 40.863  3.48244e-01  3.01266e-01  0.00000e+00 0.00000e+00 1.63259e+00 220.863 1.92844e+01 220.863 0.2243 
1 1 1 13 10 19 o 16 1.34516e+02 2.34392e+01 4.03929e+01 75.435  6.80514e-01  2.61916e+00  0.00000e+00 0.00000e+00 6.67385e+01 75.435  2.63456e+01 75.435  0.7857 
1 1 1 13 10 20 o 10 1.09370e+02 2.64060e+01 4.17543e+01 275.362 2.32496e-01  -2.47721e+00 0.00000e+00 0.00000e+00 4.37508e+01 275.362 1.99649e+00 275.362 0.7637 
1 1 1 13 10 21 o 18 1.40789e+02 2.46473e+01 7.16992e+01 225.189 -4.78048e+00 -4.81214e+00 0.00000e+00 0.00000e+00 6.27150e+01 225.189 8.98420e+00 45.189  0.9230 
1 1 1 13 10 22 o 16 8.13501e+01 3.02482e+01 5.62767e+01 218.098 -2.43897e+00 -1.91228e+00 0.00000e+00 0.00000e+00 1.32235e+01 218.098 4.30531e+01 38.098  0.8171 
1 1 1 13 10 23 o 17 9.85988e+01 2.96240e+01 5.67523e+01 9.313   4.51887e+00  7.41043e-01  0.00000e+00 0.00000e+00 3.52806e+01 9.313   2.14717e+01 189.313 0.8826 
1 1 1 13 10 24 o 1  8.18388e+01 3.03376e+01 8.17546e+01 76.944  1.26540e+00  5.45652e+00  0.00000e+00 0.00000e+00 2.43451e+00 256.944 8.41891e+01 256.944 0.9057 
1 1 1 13 10 25 o 16 5.85141e+01 2.72950e+01 2.76278e+01 292.398 5.89983e-01  -1.43154e+00 0.00000e+00 0.00000e+00 1.09093e+01 292.398 1.67185e+01 112.398 0.6079 
1 1 1 13 10 26 o 1  1.08841e+02 3.07141e+01 5.56721e+01 282.345 1.31870e+00  -6.02560e+00 0.00000e+00 0.00000e+00 5.36136e+01 282.345 2.05853e+00 102.345 0.9149 
1 1 1 13 10 27 f 0  1.46641e+02 3.35504e+01 4.83724e+01 109.433 -2.44162e+00 6.92052e+00  0.00000e+00 0.00000e+00 1.03171e+02 109.433 5.47986e+01 109.433 0.9291 
1 1 1 13 10 28 o 8  6.94181e+01 2.90867e+01 2.38438e+01 96.113  -2.35023e-01 2.19431e+00  0.00000e+00 0.00000e+00 3.32274e+01 96.113  9.38364e+00 96.113  0.7290 
1 1 1 13 10 29 o 5  8.55143e+01 3.39052e+01 3.44665e+01 287.655 1.00061e+00  -3.14384e+00 0.00000e+00 0.00000e+00 4.67281e+01 287.655 1.22615e+01 287.655 0.8299 
1 1 1 13 11 0  o 19 1.78242e+02 2.72180e+01 1.20730e+02 90.000  1.03087e-16  1.68354e+00  0.00000e+00 0.00000e+00 3.49625e+01 90.000  8.57673e+01 270.000 0.9333 
1 1 1 13 11 1  o 5  3.19786e+02 1.69669e+01 2.26158e+02 249.210 -4.03734e+00 -1.06341e+01 0.00000e+00 0.00000e+00 5.97259e+01 249.210 1.66432e+02 69.210  0.9550 
1 1 1 13 11 2  o 15 2.34125e+02 1.68877e+01 4.77476e+01 307.973 1.07911e+00  -1.38252e+00 0.00000e+00 0.00000e+00 9.54599e+01 307.973 4.77123e+01 307.973 0.6529 
1 1 1 13 11 3  o 15 4.97842e+02 2.03036e+01 2.12013e+02 286.963 4.76522e+00  -1.56228e+01 0.00000e+00 0.00000e+00 2.40445e+02 286.963 2.84326e+01 286.963 0.9689 
1 1 1 13 11 4  o 11 1.81052e+02 1.99993e+01 1.34303e+02 233.823 -2.20947e+00 -3.02142e+00 0.00000e+00 0.00000e+00 1.07949e+01 233.823 1.23508e+02 53.823  0.8529 
1 1 1 13 11 5  o 18 5.54256e+02 2.12641e+01 2.22766e+02 86.239  1.44351e+00  2.19608e+01  0.00000e+00 0.00000e+00 2.87241e+02 86.239  6.44750e+01 86.239  0.9770 
1 1 1 13 11 6  o 5  1.17123e+02 2.04105e+01 1.80701e+01 44.853  2.65755e-01  2.64391e-01  0.00000e+00 0.00000e+00 2.30712e+00 44.853  1.57630e+01 224.853 0.1842 
1 1 1 13 11 7  o 12 3.90551e+02 1.51985e+01 1.74219e+02 196.509 -1.29821e+01 -3.84771e+00 0.00000e+00 0.00000e+00 1.81903e+02 196.509 7.68417e+00 196.509 0.9623 
1 1 1 13 11 8  o 7  1.41311e+02 1.84792e+01 1.36069e+01 58.611  2.27331e-01  3.72592e-01  0.00000e+00 0.00000e+00 1.50476e+01 58.611  1.44064e+00 58.611  0.2132 
1 1 1 13 11 9  o 12 1.88379e+02 1.67119e+01 1.06953e+02 327.359 3.55594e+00  -2.27771e+00 0.00000e+00 0.00000e+00 4.98791e+01 327.359 5.70743e+01 147.359 0.8716 
1 1 1 13 11 10 o 1  7.02742e+01 2.58106e+01 5.34674e+01 339.529 8.00491e-01  -2.98833e-01 0.00000e+00 0.00000e+00 2.69969e+01 159.529 8.04643e+01 159.529 0.3925 
1 1 1 13 11 11 o 12 1.04020e+02 2.58267e+01 5.02206e+01 62.313  5.66916e-01  1.08041e+00  0.00000e+00 0.00000e+00 1.86694e+00 62.313  4.83537e+01 242.313 0.5190 
1 1 1 13 11 12 o 18 1.49056e+02 1.77182e+01 2.94708e+01 338.548 1.25425e+00  -4.92857e-01 0.00000e+00 0.00000e+00 5.09807e+01 338.548 2.15099e+01 338.548 0.5561 
1 1 1 13 11 13 o 12 2.16129e+02 1.49866e+01 6.61328e+01 191.450 -4.66076e+00 -9.43970e-01 0.00000e+00 0.00000e+00 1.21177e+02 191.450 5.50442e+01 191.450 0.8874 
1 1 1 13 11 14 o 2  1.91522e+02 1.61819e+01 3.62744e+01 199.128 -2.04321e+00 -7.08640e-01 0.00000e+00 0.00000e+00 9.98387e+01 199.128 6.35644e+01 199.128 0.7227 
1 1 1 13 11 15 o 4  2.76101e+02 1.45040e+01 1.04993e+02 329.785 9.81079e+00  -5.71342e+00 0.00000e+00 0.00000e+00 1.56157e+02 329.785 5.11637e+01 329.785 0.9549 
1 1 1 13 11 16 o 1  1.80349e+02 1.77591e+01 7.99173e+01 42.705  4.65832e+00  4.29937e+00  0.00000e+00 0.00000e+00 8.52414e+01 42.705  5.32414e+00 42.705  0.9173 
1 1 1 13 11 17 o 3  2.51013e+02 2.21216e+01 7.65899e+01 112.773 -3.24292e+00 7.72487e+00  0.00000e+00 0.00000e+00 1.60494e+02 112.773 8.39045e+01 112.773 0.9383 
1 1 1 13 11 18 o 4  1.53846e+02 2.35821e+01 7.09893e+01 283.677 1.03999e+00  -4.27354e+00 0.00000e+00 0.00000e+00 6.60760e+01 283.677 4.91326e+00 103.677 0.8773 
1 1 1 13 11 19 o 1  1.25123e+02 3.99527e+01 1.11516e+02 244.893 -2.48191e+00 -5.29657e+00 0.00000e+00 0.00000e+00 5.19662e+00 244.893 1.06319e+02 64.893  0.9100 
1 1 1 13 11 20 o 17 1.75386e+02 2.04835e+01 6.38332e+01 120.032 -3.55955e+00 6.15747e+00  0.00000e+00 0.00000e+00 1.04434e+02 120.032 4.06012e+01 120.032 0.9268 
1 1 1 13 11 21 o 13 1.98463e+02 2.92150e+01 8.59445e+01 39.464  8.72212e+00  7.18089e+00  0.00000e+00 0.00000e+00 1.12233e+02 39.464  2.62883e+01 39.464  0.9547 
1 1 1 13 11 22 o 4  5.50117e+01 2.49630e+01 4.35509e+01 197.845 -1.94981e+00 -6.27716e-01 0.00000e+00 0.00000e+00 2.50951e+00 17.845  4.60605e+01 17.845  0.7056 
1 1 1 13 11 23 o 18 6.62194e+01 2.74803e+01 3.44901e+01 169.054 -1.96258e+00 3.79571e-01  0.00000e+00 0.00000e+00 1.49133e+01 169.054 1.95768e+01 349.054 0.6976 
1 1 1 13 11 24 o 13 8.89466e+01 3.06482e+01 4.60654e+01 248.034 -1.29366e+00 -3.20746e+00 0.00000e+00 0.00000e+00 3.46867e+01 248.034 1.13788e+01 68.034  0.8389 
1 1 1 13 11 25 o 16 4.72801e+01 2.31764e+01 1.28916e+01 170.073 -8.18508e-01 1.43252e-01  0.00000e+00 0.00000e+00 6.96472e+00 170.073 5.92688e+00 350.073 0.3833 
1 1 1 13 11 26 o 3  1.60583e+02 2.45120e+01 4.82990e+01 17.880  9.16158e+00  2.95565e+00  0.00000e+00 0.00000e+00 1.20395e+02 17.880  7.20962e+01 17.880  0.9465 
1 1 1 13 11 27 o 8  1.47161e+02 2.88372e+01 5.87264e+01 291.654 3.87787e+00  -9.76757e+00 0.00000e+00 0.00000e+00 9.87135e+01 291.654 3.99871e+01 291.654 0.9512 
1 1 1 13 11 28 f 0  5.91023e+01 2.64536e+01 9.36319e+00 280.896 1.60123e-01  -8.31802e-01 0.00000e+00 0.00000e+00 1.68975e+01 280.896 7.53429e+00 280.896 0.3896 
1 1 1 13 11 29 o 19 7.51925e+01 3.07345e+01 2.66034e+01 72.763  7.95673e-01  2.56460e+00  0.00000e+00 0.00000e+00 4.15788e+01 72.763  1.49754e+01 72.763  0.7837 
1 1 1 13 12 0  o 5  4.20719e+02 2.62948e+01 1.79531e+02 270.000 -4.17570e-16 -6.81944e+00 0.00000e+00 0.00000e+00 2.19076e+02 270.000 3.95452e+01 270.000 1.0000 
1 1 1 13 12 1  o 3  3.86490e+02 1.77749e+01 1.57859e+02 277.822 1.50184e+00  -1.09328e+01 0.00000e+00 0.00000e+00 1.91400e+02 277.822 3.35409e+01 277.822 0.9536 
1 1 1 13 12 2  o 10 2.48006e+02 1.70659e+01 1.35052e+02 123.461 -3.33888e+00 5.05187e+00  0.00000e+00 0.00000e+00 7.97432e+01 123.461 5.53092e+01 303.461 0.9132 
1 1 1 13 12 3  o 14 1.31050e+02 1.83033e+01 2.87094e+01 241.740 -3.19509e-01 -5.94383e-01 0.00000e+00 0.00000e+00 1.10574e+01 241.740 1.76521e+01 61.740  0.3196 
1 1 1 13 12 4  o 5  9.30245e+01 2.28019e+01 8.59449e+01 240.525 -7.70019e-01 -1.36239e+00 0.00000e+00 0.00000e+00 3.18074e+01 60.525  1.17752e+02 60.525  0.6118 
1 1 1 13 12 5  o 17 4.54847e+01 2.00502e+01 8.28679e+01 140.935 -5.74938e-01 4.66663e-01  0.00000e+00 0.00000e+00 6.78202e+01 320.935 1.50688e+02 320.935 0.3470 
1 1 1 13 12 6  f 0  4.33751e+02 1.56523e+01 1.93624e+02 14.986  1.87307e+01  5.01407e+00  0.00000e+00 0.00000e+00 2.10239e+02 14.986  1.66144e+01 14.986  0.9739 
1 1 1 13 12 7  o 18 3.28079e+02 1.48772e+01 1.37998e+02 62.988  4.37705e+00  8.58590e+00  0.00000e+00 0.00000e+00 1.59898e+02 62.988  2.19003e+01 62.988  0.9466 
1 1 1 13 12 8  o 12 4.93624e+02 2.06162e+01 1.61130e+02 171.143 -1.62002e+01 2.52433e+00  0.00000e+00 0.00000e+00 2.99430e+02 171.143 1.38300e+02 171.143 0.9690 
1 1 1 13 12 9  o 6  3.25477e+02 1.52256e+01 1.36844e+02 234.997 -6.09704e+00 -8.70648e+00 0.00000e+00 0.00000e+00 1.62698e+02 234.997 2.58540e+01 234.997 0.9517 
1 1 1 13 12 10 o 16 3.16889e+02 1.55925e+01 1.00257e+02 320.239 5.99792e+00  -4.99044e+00 0.00000e+00 0.00000e+00 1.87177e+02 320.239 8.69202e+01 320.239 0.9335 
1 1 1 13 12 11 o 18 4.56376e+02 1.67182e+01 1.51598e+02 341.816 2.03232e+01  -6.67575e+00 0.00000e+00 0.00000e+00 2.83641e+02 341.816 1.32043e+02 341.816 0.9763 
1 1 1 13 12 12 o 10 1.70397e+02 2.07851e+01 7.43915e+00 279.917 7.05373e-02  -4.03439e-01 0.00000e+00 0.00000e+00 2.61441e+01 279.917 1.87049e+01 279.917 0.2006 
1 1 1 13 12 13 f 0  1.71571e+02 1.67038e+01 4.47981e+01 208.832 -2.10185e+00 -1.15703e+00 0.00000e+00 0.00000e+00 8.30326e+01 208.832 3.82345e+01 208.832 0.7536 
1 1 1 13 12 14 o 7  6.24429e+01 2.39064e+01 2.47732e+01 36.570  4.57395e-01  3.39320e-01  0.00000e+00 0.00000e+00 7.75390e+00 216.570 3.25271e+01 216.570 0.2738 
1 1 1 13 12 15 o 16 1.31134e+02 2.06598e+01 1.59623e+01 265.003 -7.88243e-02 -9.01604e-01 0.00000e+00 0.00000e+00 3.81788e+01 265.003 2.22165e+01 265.003 0.4117 
1 1 1 13 12 16 o 17 5.61159e+01 2.35691e+01 9.32629e+00 232.771 -1.37057e-01 -1.80374e-01 0.00000e+00 0.00000e+00 2.94343e+00 52.771  1.22697e+01 52.771  0.1125 
1 1 1 13 12 17 o 1  6.62406e+01 2.66103e+01 1.43212e+01 0.216   3.73579e-01  1.41015e-03  0.00000e+00 0.00000e+00 1.92706e+00 180.216 1.62482e+01 180.216 0.1836 
1 1 1 13 12 18 o 8  7.76986e+01 2.74154e+01 2.38386e+00 350.912 9.44385e-02  -1.51067e-02 0.00000e+00 0.00000e+00 1.43171e+00 350.912 9.52159e-01 170.912 0.0478 
1 1 1 13 12 19 o 8  4.66080e+01 2.15289e+01 2.82677e+01 223.175 -5.61330e-01 -5.26661e-01 0.00000e+00 0.00000e+00 1.09083e+01 43.175  3.91760e+01 43.175  0.3589 
1 1 1 13 12 20 o 9  3.93817e+01 1.91973e+01 9.69914e+00 190.200 -2.76455e-01 -4.97422e-02 0.00000e+00 0.00000e+00 3.95904e+00 10.200  1.36582e+01 10.200  0.1391 
1 1 1 13 12 21 o 17 1.29557e+02 2.84128e+01 6.07815e+01 74.906  1.63115e+00  6.04802e+00  0.00000e+00 0.00000e+00 6.49192e+01 74.906  4.13774e+00 74.906  0.9163 
1 1 1 13 12 22 o 7  8.04089e+01 2.92827e+01 1.13780e+01 348.447 7.20563e-01  -1.47291e-01 0.00000e+00 0.00000e+00 1.83100e+01 348.447 6.93194e+00 348.447 0.3449 
1 1 1 13 12 23 o 6  8.13280e+01 3.02549e+01 3.66275e+01 56.958  1.36372e+00  2.09657e+00  0.00000e+00 0.00000e+00 3.07406e+01 56.958  5.88696e+00 236.958 0.7651 
1 1 1 13 12 24 o 5  1.04075e+02 3.25534e+01 3.55313e+01 288.658 1.06374e+00  -3.15034e+00 0.00000e+00 0.00000e+00 5.92667e+01 288.658 2.37354e+01 288.658 0.8314 
1 1 1 13 12 25 o 3  1.40761e+02 3.30632e+01 6.41400e+01 223.318 -6.16211e+00 -5.81057e+00 0.00000e+00 0.00000e+00 8.24603e+01 223.318 1.83204e+01 223.318 0.9390 
1 1 1 13 12 26 o 6  1.01661e+02 3.54237e+01 5.17074e+01 121.256 -2.61837e+00 4.31389e+00  0.00000e+00 0.00000e+00 5.04566e+01 121.256 1.25080e+00 301.256 0.8944 
1 1 1 13 12 27 o 6  8.07069e+01 3.03759e+01 2.25234e+01 353.328 2.28570e+00  -2.67394e-01 0.00000e+00 0.00000e+00 4.56222e+01 353.328 2.30989e+01 353.328 0.7415 
1 1 1 13 12 28 o 15 6.50096e+01 2.81020e+01 3.63105e+01 261.419 -5.11372e-01 -3.38888e+00 0.00000e+00 0.00000e+00 2.65284e+01 261.419 9.78212e+00 81.419  0.8372 
1 1 1 13 13 0  o 10 5.72510e+02 3.03623e+01 2.03219e+02 270.000 -6.97671e-16 -1.13938e+01 0.00000e+00 0.00000e+00 3.46480e+02 270.000 1.43261e+02 270.000 1.0000 
1 1 1 13 13 1  o 12 1.43947e+02 1.94854e+01 3.28498e+01 349.654 1.06946e+00  -1.95233e-01 0.00000e+00 0.00000e+00 3.30126e+01 349.654 1.62801e-01 349.654 0.4764 
1 1 1 13 13 2  o 5  3.31182e+02 1.73134e+01 9.30216e+01 147.947 -6.04175e+00 3.78305e+00  0.00000e+00 0.00000e+00 2.02030e+02 147.947 1.09008e+02 147.947 0.9269 
1 1 1 13 13 3  o 3  1.01293e+02 2.60406e+01 7.72615e+01 182.461 -1.72939e+00 -7.43326e-02 0.00000e+00 0.00000e+00 1.40696e+01 2.461   9.13310e+01 2.461   0.6483 
1 1 1 13 13 4  f 0  1.29626e+02 2.35853e+01 9.20319e+01 102.292 -5.66060e-01 2.59782e+00  0.00000e+00 0.00000e+00 5.59273e+00 102.292 8.64392e+01 282.292 0.7812 
1 1 1 13 13 5  o 14 6.51915e+01 2.63465e+01 9.09947e+01 309.865 7.73344e-01  -9.26048e-01 0.00000e+00 0.00000e+00 5.85682e+01 129.865 1.49563e+02 129.865 0.5148 
1 1 1 13 13 6  o 15 1.18088e+02 2.03579e+01 3.11094e+01 299.672 3.77142e-01  -6.61940e-01 0.00000e+00 0.00000e+00 9.59059e+00 299.672 2.15188e+01 119.672 0.3557 
1 1 1 13 13 7  o 16 1.19906e+02 2.03870e+01 5.33199e+01 185.713 -1.49833e+00 -1.49892e-01 0.00000e+00 0.00000e+00 1.63322e+01 185.713 3.69876e+01 5.713   0.5976 
1 1 1 13 13 8  o 13 5.18528e+02 2.12430e+01 1.37359e+02 331.452 1.51523e+01  -8.24342e+00 0.00000e+00 0.00000e+00 3.53717e+02 331.452 2.16358e+02 331.452 0.9706 
1 1 1 13 13 9  o 1  1.64644e+02 1.86810e+01 6.05088e+01 46.966  2.10781e+00  2.25769e+00  0.00000e+00 0.00000e+00 7.12036e+01 46.966  1.06948e+01 46.966  0.8163 
1 1 1 13 13 10 o 8  2.31765e+02 1.63429e+01 9.61411e+01 220.123 -5.74261e+00 -4.83974e+00 0.00000e+00 0.00000e+00 1.16285e+02 220.123 2.01435e+01 220.123 0.9308 
1 1 1 13 13 11 o 12 2.19902e+02 1.72262e+01 1.28967e+02 153.630 -8.27180e+00 4.10077e+00  0.00000e+00 0.00000e+00 7.65641e+01 153.630 5.24032e+01 333.630 0.9442 
1 1 1 13 13 12 f 0  2.71337e+02 1.70456e+01 6.30650e+01 135.280 -3.80057e+00 3.76356e+00  0.00000e+00 0.00000e+00 1.80318e+02 135.280 1.17253e+02 135.280 0.9009 
1 1 1 13 13 13 o 17 3.54595e+02 1.64834e+01 1.27732e+02 309.451 1.12603e+01  -1.36838e+01 0.00000e+00 0.00000e+00 2.17384e+02 309.451 8.96522e+01 309.451 0.9714 
1 1 1 13 13 14 o 18 1.30947e+02 2.10016e+01 2.63311e+01 302.616 8.05123e-01  -1.25815e+00 0.00000e+00 0.00000e+00 5.22124e+01 302.616 2.58813e+01 302.616 0.5946 
1 1 1 13 13 15 o 8  6.73460e+01 2.49161e+01 3.28036e+01 303.490 5.23148e-01  -7.90687e-01 0.00000e+00 0.00000e+00 3.53331e+00 123.490 3.63369e+01 123.490 0.4277 
1 1 1 13 13 16 o 8  1.27672e+02 2.31058e+01 3.74952e+01 93.501  -1.20098e-01 1.96325e+00  0.00000e+00 0.00000e+00 5.30257e+01 93.501  1.55305e+01 93.501  0.6923 
1 1 1 13 13 17 o 5  1.23684e+02 2.67880e+01 3.24521e+01 200.414 -1.81039e+00 -6.73771e-01 0.00000e+00 0.00000e+00 5.52031e+01 200.414 2.27510e+01 200.414 0.6862 
1 1 1 13 13 18 o 2  1.24794e+02 2.46787e+01 4.15696e+01 195.405 -2.81962e+00 -7.76903e-01 0.00000e+00 0.00000e+00 6.30025e+01 195.405 2.14329e+01 195.405 0.8043 
1 1 1 13 13 19 o 19 1.29053e+02 3.26689e+01 4.15881e+01 84.005  3.26770e-01  3.11156e+00  0.00000e+00 0.00000e+00 6.95763e+01 84.005  2.79882e+01 84.005  0.8191 
1 1 1 13 13 20 o 12 1.31164e+02 2.61263e+01 5.08598e+01 327.572 4.19335e+00  -2.66401e+00 0.00000e+00 0.00000e+00 7.34879e+01 327.572 2.26281e+01 327.572 0.8926 
1 1 1 13 13 21 o 4  7.70028e+01 3.31923e+01 5.75703e+01 218.806 -2.58981e+00 -2.08272e+00 0.00000e+00 0.00000e+00 1.11227e+01 218.806 4.64477e+01 38.806  0.8313 
1 1 1 13 13 22 o 6  7.93061e+01 2.95644e+01 3.17159e+01 292.993 8.13900e-01  -1.91803e+00 0.00000e+00 0.00000e+00 2.94550e+01 292.993 2.26097e+00 112.993 0.7110 
1 1 1 13 13 23 o 4  5.73280e+01 2.56912e+01 2.20350e+01 344.951 1.23437e+00  -3.31889e-01 0.00000e+00 0.00000e+00 1.17002e+01 344.951 1.03347e+01 164.951 0.5363 
1 1 1 13 13 24 o 6  1.48668e+02 2.62018e+01 3.87390e+01 102.824 -1.56619e+00 6.88015e+00  0.00000e+00 0.00000e+00 1.14132e+02 102.824 7.53928e+01 102.824 0.9262 
1 1 1 13 13 25 o 9  1.11404e+02 3.12234e+01 4.19332e+01 30.122  3.97955e+00  2.30895e+00  0.00000e+00 0.00000e+00 6.86680e+01 30.122  2.67348e+01 30.122  0.8832 
1 1 1 13 13 26 o 19 6.44763e+01 2.92016e+01 3.21440e+01 281.358 4.88079e-01  -2.42976e+00 0.00000e+00 0.00000e+00 2.38424e+01 281.358 8.30160e+00 101.358 0.7626 
1 1 1 13 13 27 o 10 8.20979e+01 3.35211e+01 2.91085e+01 154.263 -2.39285e+00 1.15349e+00  0.00000e+00 0.00000e+00 4.48786e+01 154.263 1.57702e+01 154.263 0.7810 
1 1 1 13 13 28 o 17 8.81589e+01 3.08950e+01 3.26270e+01 122.093 -2.02532e+00 3.22957e+00  0.00000e+00 0.00000e+00 5.56580e+01 122.093 2.30309e+01 122.093 0.8559 
1 1 1 13 14 0  o 4  3.63226e+02 2.52799e+01 1.38720e+02 270.000 -3.26199e-16 -5.32723e+00 0.00000e+00 0.00000e+00 2.15073e+02 270.000 7.63523e+01 270.000 1.0000 
1 1 1 13 14 1  o 14 5.50759e+01 2.21532e+01 4.38078e+01 139.788 -3.82566e-01 3.23432e-01  0.00000e+00 0.00000e+00 3.07713e+01 319.788 7.45791e+01 319.788 0.2429 
1 1 1 13 14 2  o 12 4.63390e+01 2.04765e+01 4.24720e+01 199.984 -3.85951e-01 -1.40353e-01 0.00000e+00 0.00000e+00 3.33843e+01 19.984  7.58563e+01 19.984  0.2011 
1 1 1 13 14 3  o 10 4.15070e+02 1.88664e+01 1.75113e+02 122.711 -9.43355e+00 1.46879e+01  0.00000e+00 0.00000e+00 2.18333e+02 122.711 4.32197e+01 122.711 0.9709 
1 1 1 13 14 4  o 5  2.40567e+02 1.87815e+01 1.56595e+02 74.446  2.41421e+00  8.67387e+00  0.00000e+00 0.00000e+00 6.52054e+01 74.446  9.13891e+01 254.446 0.9427 
1 1 1 13 14 5  o 16 6.03271e+02 2.27319e+01 2.26733e+02 323.936 2.57597e+01  -1.87593e+01 0.00000e+00 0.00000e+00 3.55262e+02 323.936 1.28529e+02 323.936 0.9842 
1 1 1 13 14 6  o 15 2.37047e+02 1.57435e+01 8.40968e+01 210.154 -4.29409e+00 -2.49466e+00 0.00000e+00 0.00000e+00 1.23884e+02 210.154 3.97871e+01 210.154 0.8926 
1 1 1 13 14 7  o 11 2.44731e+02 1.55905e+01 1.11901e+02 175.296 -8.65796e+00 7.12372e-01  0.00000e+00 0.00000e+00 1.15101e+02 175.296 3.20070e+00 175.296 0.9406 
1 1 1 13 14 8  o 9  3.19463e+02 1.54072e+01 1.31791e+02 299.276 6.46905e+00  -1.15388e+01 0.00000e+00 0.00000e+00 1.72255e+02 299.276 4.04643e+01 299.276 0.9614 
1 1 1 13 14 9  o 5  2.08146e+02 1.66733e+01 6.86193e+01 279.595 7.99176e-01  -4.72765e+00 0.00000e+00 0.00000e+00 1.15220e+02 279.595 4.66007e+01 279.595 0.8884 
1 1 1 13 14 10 f 0  3.52272e+02 1.58564e+01 1.32497e+02 63.279  6.87844e+00  1.36640e+01  0.00000e+00 0.00000e+00 2.07703e+02 63.279  7.52062e+01 63.279  0.9667 
1 1 1 13 14 11 o 2  2.03076e+02 1.85070e+01 5.50137e+01 187.167 -3.43968e+00 -4.32512e-01 0.00000e+00 0.00000e+00 1.16163e+02 187.167 6.11496e+01 187.167 0.8393 
1 1 1 13 14 12 o 7  3.06966e+02 1.65955e+01 1.41316e+02 239.272 -8.68484e+00 -1.46106e+01 0.00000e+00 0.00000e+00 1.59485e+02 239.272 1.81690e+01 239.272 0.9701 
1 1 1 13 14 13 o 18 2.89567e+02 1.73698e+01 1.09508e+02 13.860  1.38015e+01  3.40528e+00  0.00000e+00 0.00000e+00 1.74284e+02 13.860  6.47765e+01 13.860  0.9642 
1 1 1 13 14 14 o 5  5.41651e+01 2.31003e+01 2.97520e+01 66.884  2.77852e-01  6.50905e-01  0.00000e+00 0.00000e+00 1.12695e+01 246.884 4.10215e+01 246.884 0.3334 
1 1 1 13 14 15 o 19 7.84891e+01 2.59886e+01 1.81070e+01 168.639 -5.58554e-01 1.12232e-01  0.00000e+00 0.00000e+00 4.05585e+00 168.639 1.40512e+01 348.639 0.2739 
1 1 1 13 14 16 o 3  8.17650e+01 2.82381e+01 4.90555e+01 115.803 -8.27930e-01 1.71244e+00  0.00000e+00 0.00000e+00 8.80170e+00 115.803 4.02538e+01 295.803 0.6810 
1 1 1 13 14 17 o 6  6.64870e+01 2.72115e+01 1.49823e+01 279.262 8.75081e-02  -5.36627e-01 0.00000e+00 0.00000e+00 3.28818e+00 279.262 1.16941e+01 99.262  0.2623 
1 1 1 13 14 18 o 16 1.58514e+02 2.16191e+01 5.01000e+01 259.077 -1.08220e+00 -5.60744e+00 0.00000e+00 0.00000e+00 1.01972e+02 259.077 5.18719e+01 259.077 0.9076 
1 1 1 13 14 19 o 11 1.08717e+02 3.10103e+01 5.71291e+01 109.499 -1.39740e+00 3.94641e+00  0.00000e+00 0.00000e+00 4.38215e+01 109.499 1.33076e+01 289.499 0.8703 
1 1 1 13 14 20 o 18 1.15374e+02 3.61510e+01 6.01525e+01 40.916  3.64450e+00  3.15875e+00  0.00000e+00 0.00000e+00 5.03728e+01 40.916  9.77966e+00 220.916 0.8891 
1 1 1 13 14 21 o 3  1.10188e+02 3.44018e+01 5.55794e+01 249.676 -1.55360e+00 -4.19441e+00 0.00000e+00 0.00000e+00 4.99263e+01 249.676 5.65310e+00 69.676  0.8795 
1 1 1 13 14 22 o 10 1.00854e+02 2.95175e+01 5.14090e+01 209.088 -3.96630e+00 -2.20657e+00 0.00000e+00 0.00000e+00 4.64262e+01 209.088 4.98278e+00 29.088  0.8815 
1 1 1 13 14 23 o 10 7.34704e+01 2.86288e+01 3.16620e+01 330.548 2.05968e+00  -1.16303e+00 0.00000e+00 0.00000e+00 2.96331e+01 330.548 2.02884e+00 150.548 0.7495 
1 1 1 13 14 24 o 6  5.21988e+01 2.49594e+01 8.62949e+00 311.084 3.64279e-01  -4.17819e-01 0.00000e+00 0.00000e+00 7.07058e+00 311.084 1.55890e+00 131.084 0.2670 
1 1 1 13 14 25 o 14 6.26234e+01 2.71140e+01 3.17042e+01 104.168 -6.45717e-01 2.55789e+00  0.00000e+00 0.00000e+00 2.39427e+01 104.168 7.76141e+00 284.168 0.7792 
1 1 1 13 14 26 o 19 1.17910e+02 3.49988e+01 4.17853e+01 359.234 5.05636e+00  -6.76120e-02 0.00000e+00 0.00000e+00 8.00714e+01 359.234 3.82861e+01 359.234 0.8947 
1 1 1 13 14 27 o 9  6.78428e+01 2.84835e+01 1.84537e+01 247.940 -6.66849e-01 -1.64554e+00 0.00000e+00 0.00000e+00 3.37455e+01 247.940 1.52918e+01 247.940 0.6572 
1 1 1 13 15 0  o 12 2.03183e+02 2.73595e+01 7.17889e+01 90.000  1.10463e-16  1.80400e+00  0.00000e+00 0.00000e+00 1.18602e+02 90.000  4.68131e+01 90.000  0.9472 
1 1 1 13 15 1  o 6  5.99687e+01 2.38501e+01 2.69472e+01 175.036 -3.88691e-01 3.37578e-02  0.00000e+00 0.00000e+00 1.55863e+01 355.036 4.25334e+01 355.036 0.1915 
1 1 1 13 15 2  o 8  2.36944e+02 1.83699e+01 6.35636e+01 192.847 -3.63811e+00 -8.29688e-01 0.00000e+00 0.00000e+00 1.36425e+02 192.847 7.28616e+01 192.847 0.8523 
1 1 1 13 15 3  o 8  9.98390e+01 2.33323e+01 3.83623e+00 302.083 4.89826e-02  -7.81353e-02 0.00000e+00 0.00000e+00 7.23351e-01 302.083 3.11288e+00 122.083 0.0461 
1 1 1 13 15 4  o 17 6.24690e+01 2.38247e+01 2.64862e+01 241.237 -2.41698e-01 -4.40313e-01 0.00000e+00 0.00000e+00 1.13750e+01 61.237  3.78612e+01 61.237  0.2435 
1 1 1 13 15 5  o 17 1.67700e+02 1.80104e+01 6.23871e+01 60.857  1.59562e+00  2.86172e+00  0.00000e+00 0.00000e+00 7.59316e+01 60.857  1.35445e+01 60.857  0.8285 
1 1 1 13 15 6  o 7  2.02384e+02 1.68813e+01 8.43924e+01 226.457 -4.00144e+00 -4.21036e+00 0.00000e+00 0.00000e+00 9.93132e+01 226.457 1.49208e+01 226.457 0.9093 
1 1 1 13 15 7  o 13 1.40513e+02 2.02315e+01 4.11431e+01 322.288 1.51015e+00  -1.16770e+00 0.00000e+00 0.00000e+00 5.48699e+01 322.288 1.37268e+01 322.288 0.6822 
1 1 1 13 15 8  o 7  1.40471e+02 2.03902e+01 8.12988e+01 88.245  1.12525e-01  3.67152e+00  0.00000e+00 0.00000e+00 3.86932e+01 88.245  4.26056e+01 268.245 0.8497 
1 1 1 13 15 9  o 12 5.75024e+02 1.83436e+01 1.85645e+02 200.728 -3.13353e+01 -1.18582e+01 0.00000e+00 0.00000e+00 3.86208e+02 200.728 2.00563e+02 200.728 0.9850 
1 1 1 13 15 10 o 12 2.73767e+02 1.62964e+01 6.62532e+01 214.851 -5.91814e+00 -4.12105e+00 0.00000e+00 0.00000e+00 1.91442e+02 214.851 1.25188e+02 214.851 0.9278 
1 1 1 13 15 11 o 4  4.34505e+02 1.68950e+01 1.77440e+02 338.466 2.87288e+01  -1.13361e+01 0.00000e+00 0.00000e+00 2.58480e+02 338.466 8.10391e+01 338.466 0.9837 
1 1 1 13 15 12 o 16 8.33798e+01 2.77477e+01 6.57339e+01 286.859 6.44098e-01  -2.12538e+00 0.00000e+00 0.00000e+00 3.21675e+00 106.859 6.89506e+01 106.859 0.7309 
1 1 1 13 15 13 o 8  2.32343e+02 2.29213e+01 1.25675e+02 113.286 -5.08884e+00 1.18242e+01  0.00000e+00 0.00000e+00 1.04665e+02 113.286 2.10104e+01 293.286 0.9603 
1 1 1 13 15 14 o 19 1.12965e+02 2.92553e+01 5.61251e+01 33.547  2.04709e+00  1.35737e+00  0.00000e+00 0.00000e+00 3.31265e+01 33.547  2.29986e+01 213.547 0.7601 
1 1 1 13 15 15 o 13 2.12232e+02 1.68068e+01 5.68347e+01 248.569 -2.40495e+00 -6.12691e+00 0.00000e+00 0.00000e+00 1.47719e+02 248.569 9.08839e+01 248.569 0.9205 
1 1 1 13 15 16 o 3  1.55624e+02 2.85219e+01 5.58488e+01 209.591 -4.05558e+00 -2.30306e+00 0.00000e+00 0.00000e+00 8.94775e+01 209.591 3.36288e+01 209.591 0.8850 
1 1 1 13 15 17 o 12 1.70149e+02 1.99729e+01 1.96608e+01 179.854 -2.48359e+00 6.31372e-03  0.00000e+00 0.00000e+00 1.18513e+02 179.854 9.88524e+01 179.854 0.7632 
1 1 1 13 15 18 o 7  1.28974e+02 3.68315e+01 4.49703e+01 27.020  2.92532e+00  1.49180e+00  0.00000e+00 0.00000e+00 6.97990e+01 27.020  2.48287e+01 27.020  0.8290 
1 1 1 13 15 19 o 4  1.19164e+02 3.25384e+01 5.57588e+01 275.292 4.40297e-01  -4.75385e+00 0.00000e+00 0.00000e+00 5.88815e+01 275.292 3.12262e+00 275.292 0.8879 
1 1 1 13 15 20 o 3  8.57518e+01 3.44356e+01 3.26473e+01 205.344 -1.78002e+00 -8.43077e-01 0.00000e+00 0.00000e+00 3.23527e+01 205.344 2.94582e-01 25.344  0.6927 
1 1 1 13 15 21 o 3  6.88853e+01 2.96471e+01 5.92049e+01 86.958  1.85104e-01  3.48315e+00  0.00000e+00 0.00000e+00 4.80661e+00 86.958  5.43983e+01 266.958 0.8405 
1 1 1 13 15 22 o 11 8.28128e+01 2.99511e+01 3.02868e+01 28.893  2.14690e+00  1.18483e+00  0.00000e+00 0.00000e+00 4.00282e+01 28.893  9.74143e+00 28.893  0.7597 
1 1 1 13 15 23 f 0  5.45354e+01 2.47016e+01 8.19803e+00 184.516 -5.60443e-01 -4.42694e-02 0.00000e+00 0.00000e+00 8.48057e+00 184.516 2.82543e-01 184.516 0.2705 
1 1 1 13 15 24 o 1  5.59841e+01 2.50349e+01 3.29922e+01 220.606 -1.83330e+00 -1.57167e+00 0.00000e+00 0.00000e+00 1.53840e+01 220.606 1.76083e+01 40.606  0.7554 
1 1 1 13 15 25 o 6  6.83636e+01 2.83071e+01 3.46818e+01 291.526 1.20383e+00  -3.05203e+00 0.00000e+00 0.00000e+00 3.09361e+01 291.526 3.74561e+00 111.526 0.8288 
1 1 1 13 15 26 o 14 8.28707e+01 3.33622e+01 1.14023e+01 106.540 -2.98391e-01 1.00475e+00  0.00000e+00 0.00000e+00 3.36269e+01 106.540 2.22246e+01 106.540 0.4632 
1 1 1 13 15 27 o 10 5.52723e+01 2.63929e+01 2.06769e+01 144.996 -1.53965e+00 1.07823e+00  0.00000e+00 0.00000e+00 2.38103e+01 144.996 3.13346e+00 144.996 0.6770 
1 1 1 13 16 0  o 16 4.39336e+02 2.75280e+01 2.13863e+02 90.000  9.69468e-16  1.58326e+01  0.00000e+00 0.00000e+00 2.27996e+02 90.000  1.41327e+01 90.000  1.0000 
1 1 1 13 16 2  o 15 2.89829e+02 1.80783e+01 1.09405e+02 262.014 -1.49385e+00 -1.06483e+01 0.00000e+00 0.00000e+00 1.68463e+02 262.014 5.90580e+01 262.014 0.9523 
1 1 1 13 16 3  o 11 6.33539e+01 2.42917e+01 2.97239e+01 137.038 -4.45764e-01 4.15133e-01  0.00000e+00 0.00000e+00 1.11233e+01 317.038 4.08473e+01 317.038 0.2913 
1 1 1 13 16 4  o 9  3.45724e+02 1.54760e+01 1.49559e+02 325.043 1.44710e+01  -1.01166e+01 0.00000e+00 0.00000e+00 1.89521e+02 325.043 3.99620e+01 325.043 0.9713 
1 1 1 13 16 5  o 6  1.54478e+02 2.41514e+01 7.88874e+01 175.202 -3.83427e+00 3.21871e-01  0.00000e+00 0.00000e+00 5.51654e+01 175.202 2.37220e+01 355.201 0.8574 
1 1 1 13 16 6  o 16 6.67254e+01 2.38151e+01 7.09542e+01 87.950  5.32419e-02  1.48747e+00  0.00000e+00 0.00000e+00 3.07784e+01 267.950 1.01733e+02 267.950 0.5933 
1 1 1 13 16 7  o 3  1.99999e+02 1.74101e+01 7.15885e+01 327.124 3.81099e+00  -2.46314e+00 0.00000e+00 0.00000e+00 1.07913e+02 327.124 3.63242e+01 327.124 0.8814 
1 1 1 13 16 8  o 7  2.41383e+02 1.65396e+01 9.91921e+01 199.544 -9.01856e+00 -3.20151e+00 0.00000e+00 0.00000e+00 1.34256e+02 199.544 3.50643e+01 199.544 0.9462 
1 1 1 13 16 9  o 1  1.98130e+02 1.82018e+01 8.15647e+01 78.527  1.28727e+00  6.34231e+00  0.00000e+00 0.00000e+00 1.05365e+02 78.527  2.38003e+01 78.527  0.9191 
1 1 1 13 16 10 o 5  2.23178e+02 1.74358e+01 3.98448e+01 324.685 3.29194e+00  -2.33209e+00 0.00000e+00 0.00000e+00 1.59231e+02 324.685 1.19387e+02 324.685 0.8648 
1 1 1 13 16 11 o 1  2.79849e+02 1.65701e+01 1.05285e+02 249.885 -4.80070e+00 -1.31076e+01 0.00000e+00 0.00000e+00 1.74296e+02 249.885 6.90110e+01 249.885 0.9635 
1 1 1 13 16 12 o 17 7.78782e+01 2.77974e+01 3.10284e+01 339.293 8.54196e-01  -3.22900e-01 0.00000e+00 0.00000e+00 2.66126e+00 339.293 2.83672e+01 159.293 0.4148 
1 1 1 13 16 13 o 8  7.31573e+01 3.13008e+01 3.05306e+01 267.128 -4.23102e-02 -8.43524e-01 0.00000e+00 0.00000e+00 6.91592e-01 87.129  3.12222e+01 87.129  0.3886 
1 1 1 13 16 14 o 3  1.24410e+02 2.90012e+01 6.24764e+01 163.808 -3.82019e+00 1.10928e+00  0.00000e+00 0.00000e+00 5.09339e+01 163.808 1.15425e+01 343.808 0.8627 
1 1 1 13 16 15 o 3  2.09269e+02 1.69679e+01 8.38524e+01 101.868 -2.28395e+00 1.08679e+01  0.00000e+00 0.00000e+00 1.28626e+02 101.868 4.47738e+01 101.868 0.9539 
1 1 1 13 16 16 o 19 9.17766e+01 2.93856e+01 1.18667e+01 255.898 -1.66796e-01 -6.63971e-01 0.00000e+00 0.00000e+00 2.00041e+01 255.898 8.13741e+00 255.898 0.3237 
1 1 1 13 16 17 o 11 1.36598e+02 2.95323e+01 6.10043e+01 275.594 5.40656e-01  -5.51992e+00 0.00000e+00 0.00000e+00 7.26783e+01 275.594 1.16740e+01 275.594 0.9047 
1 1 1 13 16 18 o 10 1.15164e+02 3.28952e+01 7.33501e+01 92.287  -2.40423e-01 6.02014e+00  0.00000e+00 0.00000e+00 4.13689e+01 92.287  3.19811e+01 272.287 0.9127 
1 1 1 13 16 19 o 9  7.54281e+01 2.92661e+01 1.94276e+01 3.451   1.18192e+00  7.12692e-02  0.00000e+00 0.00000e+00 2.27678e+01 3.451   3.34020e+00 3.451   0.5078 
1 1 1 13 16 20 o 3  8.79769e+01 3.52656e+01 7.73850e+01 246.965 -1.94643e+00 -4.57765e+00 0.00000e+00 0.00000e+00 9.99420e+00 246.965 6.73908e+01 66.965  0.8928 
1 1 1 13 16 21 o 7  6.26013e+01 2.62996e+01 1.34165e+01 141.941 -6.58345e-01 5.15448e-01  0.00000e+00 0.00000e+00 1.36978e+01 141.941 2.81333e-01 141.941 0.3853 
1 1 1 13 16 22 o 3  1.00660e+02 3.49471e+01 8.13457e+01 20.610  6.83665e+00  2.57108e+00  0.00000e+00 0.00000e+00 2.48879e+01 20.610  5.64578e+01 200.610 0.9288 
1 1 1 13 16 23 o 6  4.86256e+01 2.29726e+01 1.02500e+01 53.916  4.16233e-01  5.71141e-01  0.00000e+00 0.00000e+00 8.35879e+00 53.916  1.89117e+00 233.916 0.3330 
1 1 1 13 16 24 o 15 8.99928e+01 3.02099e+01 3.52290e+01 186.259 -3.60503e+00 -3.95366e-01 0.00000e+00 0.00000e+00 5.34648e+01 186.259 1.82358e+01 186.259 0.8475 
1 1 1 13 16 25 o 8  5.15491e+01 2.39374e+01 7.80403e+00 63.544  3.07335e-01  6.17614e-01  0.00000e+00 0.00000e+00 1.19774e+01 63.544  4.17341e+00 63.544  0.3259 
1 1 1 13 16 26 o 12 6.21023e+01 2.84776e+01 2.27981e+01 230.153 -1.34065e+00 -1.60641e+00 0.00000e+00 0.00000e+00 2.99655e+01 230.153 7.16740e+00 230.153 0.7124 
1 1 1 13 17 0  o 3  4.69040e+02 2.85255e+01 1.30313e+02 270.000 -5.91440e-16 -9.65895e+00 0.00000e+00 0.00000e+00 3.49793e+02 270.000 2.19480e+02 270.000 1.0000 
1 1 1 13 17 1  o 7  2.46962e+02 1.88236e+01 5.54119e+01 260.132 -7.47117e-01 -4.29488e+00 0.00000e+00 0.00000e+00 1.66098e+02 260.132 1.10686e+02 260.132 0.8760 
1 1 1 13 17 2  o 1  3.31448e+02 1.83760e+01 1.11241e+02 69.961  4.02803e+00  1.10436e+01  0.00000e+00 0.00000e+00 2.13586e+02 69.961  1.02345e+02 69.961  0.9565 
1 1 1 13 17 3  o 7  1.57781e+02 1.86677e+01 9.05154e+01 269.718 -2.22670e-02 -4.53098e+00 0.00000e+00 0.00000e+00 5.21305e+01 269.718 3.83850e+01 89.718  0.8812 
1 1 1 13 17 4  o 5  7.22259e+01 2.56633e+01 3.57346e+01 32.283  6.56228e-01  4.14580e-01  0.00000e+00 0.00000e+00 8.89807e+00 212.283 4.46327e+01 212.283 0.3615 
1 1 1 13 17 5  o 13 5.24754e+01 2.30963e+01 6.98379e+00 74.135  3.82882e-02  1.34725e-01  0.00000e+00 0.00000e+00 3.20769e+00 254.135 1.01915e+01 254.135 0.0699 
1 1 1 13 17 6  o 9  1.49974e+02 2.13147e+01 8.11639e+01 188.469 -4.64383e+00 -6.91492e-01 0.00000e+00 0.00000e+00 5.60561e+01 188.469 2.51079e+01 8.469   0.8858 
1 1 1 13 17 7  o 8  4.12150e+01 1.91954e+01 5.55062e+01 246.805 -3.59272e-01 -8.38449e-01 0.00000e+00 0.00000e+00 3.78060e+01 66.805  9.33121e+01 66.805  0.4144 
1 1 1 13 17 8  o 16 2.51424e+02 1.67492e+01 6.61352e+01 273.543 4.71534e-01  -7.61480e+00 0.00000e+00 0.00000e+00 1.77610e+02 273.543 1.11475e+02 273.543 0.9320 
1 1 1 13 17 9  o 5  1.20418e+02 2.40210e+01 4.22298e+01 152.345 -2.00026e+00 1.04815e+00  0.00000e+00 0.00000e+00 5.03529e+01 152.345 8.12310e+00 152.345 0.7359 
1 1 1 13 17 10 o 3  4.54838e+01 2.20584e+01 8.15087e+00 281.999 3.11631e-02  -1.46618e-01 0.00000e+00 0.00000e+00 4.58248e+00 101.999 1.27333e+01 101.999 0.0747 
1 1 1 13 17 11 o 3  8.61622e+01 2.74283e+01 4.11607e+01 225.146 -1.00091e+00 -1.00604e+00 0.00000e+00 0.00000e+00 1.11677e+01 225.146 2.99930e+01 45.146  0.5755 
1 1 1 13 17 12 o 1  1.55923e+02 2.24538e+01 8.92381e+01 111.689 -2.67814e+00 6.73369e+00  0.00000e+00 0.00000e+00 6.43810e+01 111.689 2.48571e+01 291.689 0.9282 
1 1 1 13 17 13 o 5  5.33988e+01 2.43532e+01 3.19833e+01 63.444  4.18919e-01  8.38170e-01  0.00000e+00 0.00000e+00 7.82006e+00 243.444 3.98034e+01 243.444 0.4236 
1 1 1 13 17 14 o 6  1.59022e+02 2.49449e+01 7.06649e+01 227.088 -4.69162e+00 -5.04665e+00 0.00000e+00 0.00000e+00 8.74080e+01 227.088 1.67431e+01 227.088 0.9243 
1 1 1 13 17 15 o 12 7.47324e+01 3.14266e+01 2.59112e+01 316.179 8.43039e-01  -8.09034e-01 0.00000e+00 0.00000e+00 1.48040e+01 316.179 1.11072e+01 136.179 0.5029 
1 1 1 13 17 16 o 11 1.11331e+02 2.96036e+01 4.60723e+01 351.543 3.55234e+00  -5.28144e-01 0.00000e+00 0.00000e+00 5.67333e+01 351.543 1.06610e+01 351.543 0.8457 
1 1 1 13 17 17 o 7  6.78507e+01 2.70230e+01 2.73247e+01 117.251 -7.02683e-01 1.36431e+00  0.00000e+00 0.00000e+00 1.78385e+01 117.251 9.48620e+00 297.251 0.6046 
1 1 1 13 17 18 o 3  5.90949e+01 2.52612e+01 2.38858e+00 92.551  -5.63793e-03 1.26535e-01  0.00000e+00 0.00000e+00 1.76003e+00 92.551  6.28548e-01 272.551 0.0632 
1 1 1 13 17 19 o 14 5.48701e+01 2.48457e+01 6.32878e+00 195.708 -3.28613e-01 -9.24180e-02 0.00000e+00 0.00000e+00 4.02105e+00 195.708 2.30773e+00 15.708  0.1682 
1 1 1 13 17 20 o 1  5.93055e+01 2.56276e+01 2.95486e+01 165.923 -1.73088e+00 4.34014e-01  0.00000e+00 0.00000e+00 1.47021e+01 165.923 1.48465e+01 345.923 0.6590 
1 1 1 13 17 21 o 11 7.89638e+01 2.91277e+01 2.81196e+01 301.736 1.28579e+00  -2.07897e+00 0.00000e+00 0.00000e+00 4.04277e+01 301.736 1.23081e+01 301.736 0.7588 
1 1 1 13 17 22 o 4  7.71226e+01 2.83185e+01 3.00883e+01 253.671 -7.11194e-01 -2.42758e+00 0.00000e+00 0.00000e+00 3.84256e+01 253.671 8.33737e+00 253.671 0.7682 
1 1 1 13 17 23 o 4  6.31381e+01 2.66819e+01 8.73939e+00 220.070 -5.58375e-01 -4.69694e-01 0.00000e+00 0.00000e+00 1.65560e+01 220.070 7.81666e+00 220.070 0.3425 
1 1 1 13 17 24 o 17 8.46947e+01 2.98641e+01 3.78662e+01 18.335  3.85733e+00  1.27830e+00  0.00000e+00 0.00000e+00 4.89391e+01 18.335  1.10729e+01 18.335  0.8659 
1 1 1 13 17 25 o 18 4.53545e+01 2.16728e+01 2.55886e+01 120.481 -1.24636e+00 2.11751e+00  0.00000e+00 0.00000e+00 1.57305e+01 120.481 9.85810e+00 300.481 0.7602 
1 1 1 13 18 0  o 12 1.61635e+02 3.69651e+01 5.53585e+01 90.000  1.03709e-16  1.69370e+00  0.00000e+00 0.00000e+00 1.02184e+02 90.000  4.68260e+01 90.000  0.9346 
1 1 1 13 18 1  o 3  2.31038e+02 1.91160e+01 9.94743e+01 220.900 -7.01233e+00 -6.07421e+00 0.00000e+00 0.00000e+00 1.28144e+02 220.900 2.86701e+01 220.900 0.9445 
1 1 1 13 18 2  o 17 9.93702e+01 2.50684e+01 2.06330e+01 123.290 -4.29709e-01 6.54424e-01  0.00000e+00 0.00000e+00 1.71501e+01 123.290 3.48289e+00 303.290 0.3642 
1 1 1 13 18 3  o 17 2.94505e+02 1.87346e+01 8.92574e+01 325.543 8.73521e+00  -5.99399e+00 0.00000e+00 0.00000e+00 2.03661e+02 325.543 1.14404e+02 325.543 0.9516 
1 1 1 13 18 4  o 1  2.93980e+02 1.59087e+01 1.21248e+02 220.860 -1.10480e+01 -9.55670e+00 0.00000e+00 0.00000e+00 1.75845e+02 220.860 5.45969e+01 220.860 0.9651 
1 1 1 13 18 5  o 6  3.06617e+02 2.00703e+01 1.26844e+02 87.613  7.26563e-01  1.74310e+01  0.00000e+00 0.00000e+00 1.85578e+02 87.613  5.87336e+01 87.613  0.9709 
1 1 1 13 18 6  o 19 1.25674e+02 2.44523e+01 7.47860e+01 17.928  3.81237e+00  1.23342e+00  0.00000e+00 0.00000e+00 3.94562e+01 17.928  3.53298e+01 197.928 0.8638 
1 1 1 13 18 7  o 15 1.20968e+02 2.53718e+01 5.44067e+01 190.957 -2.83023e+00 -5.47963e-01 0.00000e+00 0.00000e+00 4.78908e+01 190.957 6.51596e+00 10.958  0.8009 
1 1 1 13 18 8  o 6  9.52379e+01 2.68095e+01 5.02068e+01 159.291 -1.73000e+00 6.54018e-01  0.00000e+00 0.00000e+00 1.75666e+01 159.291 3.26401e+01 339.291 0.6714 
1 1 1 13 18 9  o 2  1.48863e+02 2.14728e+01 8.69187e+01 244.212 -2.41583e+00 -5.00000e+00 0.00000e+00 0.00000e+00 5.64467e+01 244.212 3.04720e+01 64.212  0.9048 
1 1 1 13 18 10 o 6  1.92794e+02 1.93522e+01 7.24387e+01 219.538 -5.86741e+00 -4.84322e+00 0.00000e+00 0.00000e+00 1.19684e+02 219.538 4.72451e+01 219.538 0.9318 
1 1 1 13 18 11 o 4  4.08723e+02 1.70282e+01 1.41410e+02 47.950  2.35578e+01  2.61179e+01  0.00000e+00 0.00000e+00 2.91749e+02 47.950  1.50339e+02 47.950  0.9857 
1 1 1 13 18 12 o 8  5.47905e+01 2.42598e+01 3.88807e+01 35.223  1.01182e+00  7.14357e-01  0.00000e+00 0.00000e+00 7.79859e+00 215.223 4.66793e+01 215.223 0.5246 
1 1 1 13 18 13 o 2  1.49254e+02 2.47125e+01 8.06343e+01 183.677 -7.38743e+00 -4.74736e-01 0.00000e+00 0.00000e+00 7.03881e+01 183.677 1.02462e+01 3.677   0.9298 
1 1 1 13 18 14 o 16 6.16378e+01 2.70118e+01 1.30075e+01 317.174 4.17942e-01  -3.87375e-01 0.00000e+00 0.00000e+00 5.49471e+00 317.174 7.51275e+00 137.174 0.2740 
1 1 1 13 18 15 o 7  7.39185e+01 3.09960e+01 7.08815e+01 302.729 1.91947e+00  -2.98658e+00 0.00000e+00 0.00000e+00 2.04696e+00 122.729 7.29284e+01 122.729 0.8437 
1 1 1 13 18 16 o 10 6.15056e+01 2.71622e+01 1.28915e+01 213.323 -5.89532e-01 -3.87588e-01 0.00000e+00 0.00000e+00 9.85769e+00 213.323 3.03376e+00 33.323  0.3325 
1 1 1 13 18 17 o 3  7.97610e+01 2.81069e+01 5.05203e+01 108.835 -1.08569e+00 3.18276e+00  0.00000e+00 0.00000e+00 2.40616e+01 108.835 2.64587e+01 288.835 0.8336 
1 1 1 13 18 18 o 10 1.00145e+02 2.79816e+01 1.09905e+01 26.993  8.84010e-01  4.50299e-01  0.00000e+00 0.00000e+00 3.92803e+01 26.993  2.82898e+01 26.993  0.4436 
1 1 1 13 18 19 o 11 9.50074e+01 3.07637e+01 3.60386e+01 244.930 -1.26614e+00 -2.70657e+00 0.00000e+00 0.00000e+00 5.17681e+01 244.930 1.57295e+01 244.930 0.8091 
1 1 1 13 18 20 o 17 6.67297e+01 2.73372e+01 1.65077e+01 140.927 -1.00560e+00 8.16442e-01  0.00000e+00 0.00000e+00 2.51606e+01 140.927 8.65290e+00 140.927 0.5413 
1 1 1 13 18 21 o 6  6.94834e+01 2.76974e+01 4.26544e+01 18.888  3.12798e+00  1.07020e+00  0.00000e+00 0.00000e+00 2.45874e+01 18.888  1.80670e+01 198.888 0.8303 
1 1 1 13 18 22 o 3  4.90917e+01 2.28808e+01 2.31188e+01 260.698 -2.90146e-01 -1.77148e+00 0.00000e+00 0.00000e+00 1.51199e+01 260.698 7.99889e+00 80.698  0.6611 
1 1 1 13 18 23 o 16 7.61195e+01 2.87999e+01 3.55175e+01 146.611 -2.99806e+00 1.97603e+00  0.00000e+00 0.00000e+00 4.11976e+01 146.611 5.68013e+00 146.611 0.8457 
1 1 1 13 18 24 o 19 6.29875e+01 2.68441e+01 1.55968e+01 62.876  6.81341e-01  1.33009e+00  0.00000e+00 0.00000e+00 2.95792e+01 62.876  1.39825e+01 62.876  0.5948 
1 1 1 13 19 0  o 5  4.19351e+01 2.85330e+01 5.49691e+00 90.000  3.30512e-18  5.39768e-02  0.00000e+00 0.00000e+00 3.09166e+00 270.000 8.58857e+00 270.000 0.0539 
1 1 1 13 19 1  o 11 1.71748e+02 1.93136e+01 5.23977e+01 337.830 3.93416e+00  -1.60306e+00 0.00000e+00 0.00000e+00 1.07018e+02 337.830 5.46201e+01 337.830 0.8724 
1 1 1 13 19 2  o 6  9.91375e+01 3.16695e+01 7.81961e+01 168.329 -3.08971e+00 6.38199e-01  0.00000e+00 0.00000e+00 8.44436e+00 168.329 6.97518e+01 348.329 0.8208 
1 1 1 13 19 3  o 5  3.19978e+02 1.91445e+01 9.87484e+01 140.184 -1.14262e+01 9.52549e+00  0.00000e+00 0.00000e+00 2.30696e+02 140.184 1.31948e+02 140.184 0.9658 
1 1 1 13 19 4  o 7  1.87830e+02 1.84894e+01 8.14272e+01 22.151  6.00041e+00  2.44279e+00  0.00000e+00 0.00000e+00 1.02959e+02 22.151  2.15316e+01 22.151  0.9192 
1 1 1 13 19 5  o 4  2.71854e+02 1.65295e+01 1.21187e+02 247.771 -5.33681e+00 -1.30585e+01 0.00000e+00 0.00000e+00 1.59288e+02 247.771 3.81005e+01 247.771 0.9639 
1 1 1 13 19 6  o 7  8.18898e+01 3.17071e+01 1.42810e+01 239.629 -2.27156e-01 -3.87634e-01 0.00000e+00 0.00000e+00 4.98236e+00 239.629 9.29865e+00 59.629  0.2192 
1 1 1 13 19 7  o 7  1.58506e+02 1.81122e+01 6.26194e+01 83.458  5.01600e-01  4.37386e+00  0.00000e+00 0.00000e+00 8.71442e+01 83.458  2.45248e+01 83.458  0.8774 
1 1 1 13 19 8  o 10 1.74654e+02 1.76410e+01 6.23602e+01 154.555 -5.48036e+00 2.60757e+00  0.00000e+00 0.00000e+00 1.10087e+02 154.555 4.77268e+01 154.555 0.9134 
1 1 1 13 19 9  o 5  8.48204e+01 2.78093e+01 5.75032e+01 299.139 1.25275e+00  -2.24712e+00 0.00000e+00 0.00000e+00 1.36461e+01 299.139 4.38572e+01 119.139 0.7727 
1 1 1 13 19 10 o 16 1.37678e+02 2.37034e+01 5.53929e+01 339.686 4.22029e+00  -1.56232e+00 0.00000e+00 0.00000e+00 7.68169e+01 339.686 2.14240e+01 339.686 0.8803 
1 1 1 13 19 11 o 1  2.29594e+02 1.80623e+01 9.62823e+01 108.279 -4.75702e+00 1.44016e+01  0.00000e+00 0.00000e+00 1.47045e+02 108.279 5.07624e+01 108.279 0.9664 
1 1 1 13 19 12 o 8  5.00657e+01 2.30049e+01 1.51421e+01 248.046 -2.03071e-01 -5.03778e-01 0.00000e+00 0.00000e+00 6.72003e-01 68.046  1.58141e+01 68.046  0.2620 
1 1 1 13 19 13 o 19 8.34820e+01 2.94580e+01 5.99039e+01 255.026 -8.69056e-01 -3.24932e+00 0.00000e+00 0.00000e+00 1.73430e+01 255.026 4.25609e+01 75.026  0.8336 
1 1 1 13 19 14 o 11 6.56914e+01 2.78953e+01 1.62502e+01 110.827 -3.10186e-01 8.15408e-01  0.00000e+00 0.00000e+00 1.30681e+01 110.827 3.18209e+00 290.827 0.3994 
1 1 1 13 19 15 o 4  7.80529e+01 3.22797e+01 7.34221e+00 339.228 4.13140e-01  -1.56707e-01 0.00000e+00 0.00000e+00 1.16116e+01 339.228 4.26940e+00 339.228 0.2157 
1 1 1 13 19 16 o 9  1.11884e+02 3.13702e+01 3.64997e+01 161.376 -3.08073e+00 1.03820e+00  0.00000e+00 0.00000e+00 6.84751e+01 161.376 3.19754e+01 161.376 0.8270 
1 1 1 13 19 17 o 14 4.88894e+01 2.24030e+01 9.64641e+00 326.338 4.25350e-01  -2.83270e-01 0.00000e+00 0.00000e+00 4.19839e+00 326.338 5.44802e+00 146.338 0.2475 
1 1 1 13 19 18 o 11 4.87296e+01 2.28419e+01 1.53828e+01 221.392 -6.23296e-01 -5.49361e-01 0.00000e+00 0.00000e+00 6.17329e+00 221.392 9.20954e+00 41.392  0.3833 
1 1 1 13 19 19 o 14 5.95486e+01 2.57424e+01 2.99144e+01 162.660 -2.11981e+00 6.61883e-01  0.00000e+00 0.00000e+00 2.07913e+01 162.660 9.12306e+00 342.660 0.7309 
1 1 1 13 19 20 f 0  6.69350e+01 2.73201e+01 2.84690e+01 316.515 1.56280e+00  -1.48225e+00 0.00000e+00 0.00000e+00 2.83501e+01 316.515 1.18858e-01 136.515 0.7215 
1 1 1 13 19 21 o 18 5.63565e+01 2.50473e+01 5.93864e+00 317.386 3.55010e-01  -3.26608e-01 0.00000e+00 0.00000e+00 9.76779e+00 317.386 3.82915e+00 317.386 0.2344 
1 1 1 13 19 22 o 4  6.12951e+01 2.64461e+01 2.26564e+01 26.806  1.83225e+00  9.25796e-01  0.00000e+00 0.00000e+00 2.93671e+01 26.806  6.71072e+00 26.806  0.7063 
1 1 1 13 19 23 o 15 8.14871e+01 2.95778e+01 1.18946e+01 21.331  1.20012e+00  4.68665e-01  0.00000e+00 0.00000e+00 4.15199e+01 21.331  2.96254e+01 21.331  0.5393 
1 1 1 13 19 24 f 0  5.11126e+01 2.37173e+01 3.11810e+01 156.690 -2.74236e+00 1.18160e+00  0.00000e+00 0.00000e+00 1.96737e+01 156.690 1.15072e+01 336.690 0.8090 
1 1 1 13 20 0  o 17 2.62761e+02 2.94061e+01 1.20287e+02 270.000 -4.22823e-16 -6.90523e+00 0.00000e+00 0.00000e+00 1.65070e+02 270.000 4.47827e+01 270.000 1.0000 
1 1 1 13 20 1  o 19 1.67169e+02 2.07116e+01 1.10404e+02 95.088  -7.15459e-01 8.03498e+00  0.00000e+00 0.00000e+00 5.95275e+01 95.088  5.08767e+01 275.088 0.9358 
1 1 1 13 20 2  o 18 2.13344e+02 2.12804e+01 9.42309e+01 54.661  5.04612e+00  7.11663e+00  0.00000e+00 0.00000e+00 1.23967e+02 54.661  2.97359e+01 54.661  0.9408 
1 1 1 13 20 3  f 0  4.86658e+01 2.34027e+01 7.61248e+00 154.941 -1.76569e-01 8.25581e-02  0.00000e+00 0.00000e+00 2.47439e+00 334.941 1.00869e+01 334.941 0.0970 
1 1 1 13 20 4  o 14 1.41687e+02 2.31210e+01 7.72866e+01 95.377  -5.40116e-01 5.73825e+00  0.00000e+00 0.00000e+00 6.30742e+01 95.377  1.42125e+01 275.377 0.9085 
1 1 1 13 20 5  o 19 1.53231e+02 2.17840e+01 6.87901e+01 349.090 5.51920e+00  -1.06378e+00 0.00000e+00 0.00000e+00 8.29347e+01 349.090 1.41446e+01 349.090 0.9060 
1 1 1 13 20 6  o 12 3.52869e+02 1.68235e+01 1.31063e+02 206.307 -2.56362e+01 -1.26742e+01 0.00000e+00 0.00000e+00 2.48824e+02 206.307 1.17760e+02 206.307 0.9824 
1 1 1 13 20 7  o 10 1.19358e+02 2.20133e+01 3.54153e+01 127.999 -1.58931e+00 2.03427e+00  0.00000e+00 0.00000e+00 6.61044e+01 127.999 3.06891e+01 127.999 0.7736 
1 1 1 13 20 8  o 18 1.27470e+02 2.09686e+01 3.95186e+01 328.398 2.64220e+00  -1.62560e+00 0.00000e+00 0.00000e+00 7.54578e+01 328.398 3.59393e+01 328.398 0.8173 
1 1 1 13 20 9  o 8  1.08577e+02 2.65407e+01 2.46004e+01 292.596 6.18289e-01  -1.48560e+00 0.00000e+00 0.00000e+00 5.02530e+01 292.596 2.56526e+01 292.596 0.6220 
1 1 1 13 20 10 o 10 1.15683e+02 2.66686e+01 6.16064e+01 13.375  4.65350e+00  1.10647e+00  0.00000e+00 0.00000e+00 5.28162e+01 13.375  8.79024e+00 193.375 0.8881 
1 1 1 13 20 11 o 17 1.14168e+02 2.74557e+01 4.81680e+01 156.452 -3.55928e+00 1.55114e+00  0.00000e+00 0.00000e+00 6.16166e+01 156.452 1.34486e+01 156.452 0.8589 
1 1 1 13 20 12 o 9  6.05639e+01 2.60479e+01 7.11505e+01 202.127 -3.04024e+00 -1.23617e+00 0.00000e+00 0.00000e+00 1.46194e+01 22.127  8.57699e+01 22.127  0.8288 
1 1 1 13 20 13 o 12 9.71697e+01 3.05083e+01 4.45853e+01 309.788 2.25774e+00  -2.71094e+00 0.00000e+00 0.00000e+00 4.81968e+01 309.788 3.61151e+00 309.788 0.8426 
1 1 1 13 20 14 o 18 1.25810e+02 3.33782e+01 4.78174e+01 50.541  2.77975e+00  3.37701e+00  0.00000e+00 0.00000e+00 7.80065e+01 50.541  3.01891e+01 50.541  0.8765 
1 1 1 13 20 15 o 3  1.34097e+02 3.42434e+01 5.76890e+01 120.663 -2.97686e+00 5.02098e+00  0.00000e+00 0.00000e+00 8.25315e+01 120.663 2.48425e+01 120.663 0.9098 
1 1 1 13 20 16 o 3  6.56942e+01 2.83526e+01 3.12895e+01 198.437 -1.77582e+00 -5.92001e-01 0.00000e+00 0.00000e+00 2.01225e+01 198.437 1.11670e+01 18.437  0.6756 
1 1 1 13 20 17 o 1  6.00720e+01 2.68833e+01 2.37170e+01 26.356  1.38301e+00  6.85209e-01  0.00000e+00 0.00000e+00 1.88545e+01 26.356  4.86249e+00 206.356 0.6067 
1 1 1 13 20 18 o 17 9.11945e+01 3.04088e+01 7.77459e+00 44.359  5.19364e-01  5.07872e-01  0.00000e+00 0.00000e+00 2.88915e+01 44.359  2.11170e+01 44.359  0.3412 
1 1 1 13 20 19 f 0  6.77704e+01 2.91812e+01 3.62423e+01 245.297 -1.14768e+00 -2.49486e+00 0.00000e+00 0.00000e+00 2.73869e+01 245.297 8.85534e+00 65.297  0.7893 
1 1 1 13 20 20 o 5  8.27885e+01 2.93536e+01 1.78148e+01 41.264  1.30694e+00  1.14672e+00  0.00000e+00 0.00000e+00 4.68126e+01 41.264  2.89978e+01 41.264  0.6498 
1 1 1 13 20 21 o 14 6.88775e+01 2.77798e+01 6.32172e+00 33.602  5.02104e-01  3.33619e-01  0.00000e+00 0.00000e+00 1.77972e+01 33.602  1.14755e+01 33.602  0.2885 
1 1 1 13 20 22 o 12 5.96135e+01 2.59743e+01 7.51093e+00 176.852 -7.06894e-01 3.88746e-02  0.00000e+00 0.00000e+00 1.68834e+01 176.852 9.37243e+00 176.852 0.3335 
1 1 1 13 20 23 o 2  6.82612e+01 2.79747e+01 1.53457e+01 332.190 1.37975e+00  -7.27753e-01 0.00000e+00 0.00000e+00 3.63786e+01 332.190 2.10329e+01 332.190 0.6106 
1 1 1 13 21 1  o 6  7.91047e+01 2.85799e+01 1.90781e+01 108.555 -2.65264e-01 7.90275e-01  0.00000e+00 0.00000e+00 1.46782e+01 108.555 4.39985e+00 288.555 0.3843 
1 1 1 13 21 2  o 15 7.63377e+01 2.80426e+01 3.84253e+01 262.323 -2.18200e-01 -1.61872e+00 0.00000e+00 0.00000e+00 1.47920e+01 262.323 2.36333e+01 82.323  0.6274 
1 1 1 13 21 3  o 16 8.65491e+01 2.85469e+01 4.49957e+01 315.703 1.53516e+00  -1.49793e+00 0.00000e+00 0.00000e+00 2.43494e+01 315.703 2.06463e+01 135.703 0.7202 
1 1 1 13 21 4  o 16 6.81093e+01 2.68517e+01 4.79909e+01 76.125  4.43162e-01  1.79403e+00  0.00000e+00 0.00000e+00 2.95450e+00 76.125  4.50364e+01 256.125 0.6712 
1 1 1 13 21 5  o 15 1.29872e+02 2.45483e+01 5.12678e+01 122.204 -2.23405e+00 3.54712e+00  0.00000e+00 0.00000e+00 7.50181e+01 122.204 2.37503e+01 122.204 0.8705 
1 1 1 13 21 6  o 1  1.57542e+02 2.67919e+01 6.41773e+01 311.731 4.05340e+00  -4.54454e+00 0.00000e+00 0.00000e+00 9.70650e+01 311.731 3.28876e+01 311.731 0.9137 
1 1 1 13 21 7  o 6  8.55168e+01 2.56824e+01 3.34100e+01 227.299 -1.33462e+00 -1.44624e+00 0.00000e+00 0.00000e+00 3.31361e+01 227.299 2.73881e-01 47.299  0.6924 
1 1 1 13 21 8  o 5  1.35873e+02 2.57734e+01 5.91356e+01 156.319 -5.43086e+00 2.38188e+00  0.00000e+00 0.00000e+00 8.05352e+01 156.319 2.13996e+01 156.319 0.9113 
1 1 1 13 21 9  o 16 6.29584e+01 2.47006e+01 3.83184e+01 106.459 -5.42041e-01 1.83468e+00  0.00000e+00 0.00000e+00 1.03950e+01 106.459 2.79234e+01 286.459 0.6830 
1 1 1 13 21 10 o 18 7.93455e+01 2.79492e+01 2.69517e+01 35.789  1.42540e+00  1.02760e+00  0.00000e+00 0.00000e+00 3.20822e+01 35.789  5.13053e+00 35.789  0.6536 
1 1 1 13 21 11 o 13 1.88533e+02 2.05863e+01 6.61793e+01 232.299 -8.15242e+00 -1.05478e+01 0.00000e+00 0.00000e+00 1.41319e+02 232.299 7.51395e+01 232.299 0.9617 
1 1 1 13 21 12 o 17 3.69342e+01 1.83074e+01 5.57416e+00 90.719  -2.79611e-03 2.22800e-01  0.00000e+00 0.00000e+00 8.67002e-01 270.719 6.44117e+00 270.719 0.1107 
1 1 1 13 21 13 o 4  2.03155e+02 2.06847e+01 7.22479e+01 58.939  8.11102e+00  1.34667e+01  0.00000e+00 0.00000e+00 1.55460e+02 58.939  8.32121e+01 58.939  0.9677 
1 1 1 13 21 14 o 3  8.55616e+01 3.28825e+01 2.35614e+01 279.886 2.76051e-01  -1.58397e+00 0.00000e+00 0.00000e+00 3.84736e+01 279.886 1.49121e+01 279.886 0.6217 
1 1 1 13 21 15 o 3  1.16527e+02 3.06513e+01 4.08362e+01 164.394 -4.02024e+00 1.12289e+00  0.00000e+00 0.00000e+00 7.82490e+01 164.394 3.74127e+01 164.394 0.8699 
1 1 1 13 21 16 o 7  1.24144e+02 2.95979e+01 4.20672e+01 32.066  4.78446e+00  2.99730e+00  0.00000e+00 0.00000e+00 9.11755e+01 32.066  4.91083e+01 32.066  0.9065 
1 1 1 13 21 17 o 11 9.15785e+01 3.34862e+01 2.28198e+01 324.656 1.55252e+00  -1.10102e+00 0.00000e+00 0.00000e+00 5.16647e+01 324.656 2.88449e+01 324.656 0.6812 
1 1 1 13 21 18 o 6  7.37853e+01 3.13802e+01 3.12224e+01 173.016 -2.33729e+00 2.86325e-01  0.00000e+00 0.00000e+00 3.52760e+01 173.016 4.05357e+00 173.016 0.7482 
1 1 1 13 21 19 o 18 5.33530e+01 2.43707e+01 2.31222e+01 304.091 1.00316e+00  -1.48217e+00 0.00000e+00 0.00000e+00 1.96919e+01 304.091 3.43030e+00 124.091 0.6600 
1 1 1 13 21 20 o 14 6.06847e+01 2.61725e+01 1.87928e+01 292.698 6.54463e-01  -1.56471e+00 0.00000e+00 0.00000e+00 2.89674e+01 292.698 1.01746e+01 292.698 0.6410 
1 1 1 13 21 21 o 8  7.45882e+01 2.86945e+01 1.77057e+01 66.714  7.17783e-01  1.66778e+00  0.00000e+00 0.00000e+00 4.38334e+01 66.714  2.61277e+01 66.714  0.6651 
1 1 1 13 21 22 o 13 5.52046e+01 2.48722e+01 1.68097e+01 176.987 -1.61980e+00 8.52532e-02  0.00000e+00 0.00000e+00 2.64522e+01 176.987 9.64253e+00 176.987 0.6249 
1 1 1 13 22 0  o 12 3.10529e+02 3.17682e+01 1.69245e+02 90.000  1.18592e-15  1.93675e+01  0.00000e+00 0.00000e+00 1.83435e+02 90.000  1.41900e+01 90.000  1.0000 
1 1 1 13 22 1  o 8  6.13176e+01 2.61474e+01 2.93929e+01 184.834 -1.23084e+00 -1.04088e-01 0.00000e+00 0.00000e+00 7.07731e+00 184.834 2.23156e+01 4.834   0.5236 
1 1 1 13 22 2  o 14 1.77093e+02 2.08615e+01 7.44683e+01 235.613 -5.64424e+00 -8.24733e+00 0.00000e+00 0.00000e+00 1.16511e+02 235.613 4.20425e+01 235.613 0.9486 
1 1 1 13 22 3  o 17 9.58869e+01 3.08011e+01 4.20101e+01 13.020  2.60319e+00  6.01928e-01  0.00000e+00 0.00000e+00 4.33962e+01 13.020  1.38612e+00 13.020  0.7825 
1 1 1 13 22 4  o 8  8.38559e+01 2.77168e+01 2.77350e+01 352.368 1.63630e+00  -2.19255e-01 0.00000e+00 0.00000e+00 3.26310e+01 352.368 4.89604e+00 352.368 0.6313 
1 1 1 13 22 5  o 18 1.49927e+02 2.22651e+01 3.87569e+01 242.516 -2.13180e+00 -4.09787e+00 0.00000e+00 0.00000e+00 1.12675e+02 242.516 7.39180e+01 242.516 0.8837 
1 1 1 13 22 6  o 5  1.06256e+02 2.75738e+01 5.22312e+01 90.313  -2.25414e-02 4.13104e+00  0.00000e+00 0.00000e+00 5.35196e+01 90.313  1.28838e+00 90.313  0.8684 
1 1 1 13 22 7  o 12 9.48702e+01 2.45717e+01 1.47732e+01 13.479  1.22675e+00  2.94036e-01  0.00000e+00 0.00000e+00 4.31976e+01 13.479  2.84244e+01 13.479  0.5314 
1 1 1 13 22 8  o 13 1.85042e+02 2.00524e+01 7.97343e+01 237.789 -7.85815e+00 -1.24735e+01 0.00000e+00 0.00000e+00 1.26469e+02 237.789 4.67346e+01 237.789 0.9655 
1 1 1 13 22 9  o 8  1.29351e+02 2.28225e+01 4.62229e+01 60.795  2.94444e+00  5.26729e+00  0.00000e+00 0.00000e+00 9.06567e+01 60.795  4.44338e+01 60.795  0.9129 
1 1 1 13 22 10 o 16 1.27859e+02 2.79143e+01 5.82736e+01 102.815 -1.40183e+00 6.16284e+00  0.00000e+00 0.00000e+00 7.82981e+01 102.815 2.00244e+01 102.815 0.9171 
1 1 1 13 22 11 o 4  1.22389e+02 2.70177e+01 5.34678e+01 241.981 -2.77824e+00 -5.22088e+00 0.00000e+00 0.00000e+00 7.70871e+01 241.981 2.36194e+01 241.981 0.9110 
1 1 1 13 22 12 o 7  7.54289e+01 2.88839e+01 6.34210e+01 5.941   4.19835e+00  4.36886e-01  0.00000e+00 0.00000e+00 1.40004e+01 5.941   4.94206e+01 185.941 0.8715 
1 1 1 13 22 13 o 6  1.00001e+02 3.32422e+01 4.49419e+01 70.147  1.23531e+00  3.42127e+00  0.00000e+00 0.00000e+00 5.55602e+01 70.147  1.06183e+01 70.147  0.8480 
1 1 1 13 22 14 o 10 3.98820e+01 1.99655e+01 2.08674e+01 202.953 -1.05073e+00 -4.44997e-01 0.00000e+00 0.00000e+00 2.64931e+00 202.953 1.82181e+01 22.953  0.4941 
1 1 1 13 22 15 o 11 1.06997e+02 3.13133e+01 5.31545e+01 261.626 -8.18865e-01 -5.56285e+00 0.00000e+00 0.00000e+00 6.33792e+01 261.626 1.02247e+01 261.626 0.9061 
1 1 1 13 22 16 o 3  5.35918e+01 2.48759e+01 2.18284e+01 49.897  9.33725e-01  1.10872e+00  0.00000e+00 0.00000e+00 1.60491e+01 49.897  5.77931e+00 229.897 0.5834 
1 1 1 13 22 17 o 4  5.17657e+01 2.45935e+01 1.91103e+01 42.910  1.06560e+00  9.90574e-01  0.00000e+00 0.00000e+00 1.78697e+01 42.910  1.24058e+00 222.910 0.5848 
1 1 1 13 22 18 o 3  6.20443e+01 2.75904e+01 2.91094e+01 247.097 -9.87450e-01 -2.33726e+00 0.00000e+00 0.00000e+00 2.96918e+01 247.097 5.82435e-01 247.097 0.7690 
1 1 1 13 22 19 o 4  6.55546e+01 2.72285e+01 2.80402e+00 172.343 -2.62639e-01 3.53079e-02  0.00000e+00 0.00000e+00 7.90749e+00 172.343 5.10347e+00 172.343 0.1314 
1 1 1 13 22 20 o 12 5.52249e+01 2.49606e+01 1.06313e+01 330.735 8.93207e-01  -5.00536e-01 0.00000e+00 0.00000e+00 2.09212e+01 330.735 1.02899e+01 330.735 0.4548 
1 1 1 13 23 0  o 10 4.94780e+01 3.32062e+01 3.95801e+00 90.000  5.56605e-18  9.09005e-02  0.00000e+00 0.00000e+00 1.25973e+00 90.000  2.69829e+00 270.000 0.0907 
1 1 1 13 23 1  o 19 9.88158e+01 2.87863e+01 2.30261e+01 285.973 5.05390e-01  -1.76561e+00 0.00000e+00 0.00000e+00 5.38992e+01 285.973 3.08731e+01 285.973 0.6690 
1 1 1 13 23 2  o 19 6.58693e+01 2.66602e+01 3.10256e+01 53.724  1.03203e+00  1.40618e+00  0.00000e+00 0.00000e+00 1.89072e+01 53.724  1.21184e+01 233.724 0.6510 
1 1 1 13 23 3  o 17 8.11404e+01 2.83827e+01 5.86579e+01 60.391  1.91335e+00  3.36690e+00  0.00000e+00 0.00000e+00 2.25559e+01 60.391  3.61020e+01 240.391 0.8584 
1 1 1 13 23 4  o 10 1.34339e+02 2.41071e+01 6.23118e+01 235.667 -4.64151e+00 -6.79583e+00 0.00000e+00 0.00000e+00 8.47319e+01 235.667 2.24201e+01 235.667 0.9371 
1 1 1 13 23 5  o 13 6.50618e+01 2.61235e+01 5.96902e+01 233.496 -2.13963e+00 -2.89109e+00 0.00000e+00 0.00000e+00 4.74643e+00 233.496 5.49438e+01 53.496  0.8460 
1 1 1 13 23 6  o 8  5.25687e+01 2.40218e+01 1.87750e+01 53.135  5.62609e-01  7.50292e-01  0.00000e+00 0.00000e+00 7.38554e+00 53.135  1.13895e+01 233.135 0.4239 
1 1 1 13 23 7  o 7  9.65420e+01 2.77977e+01 4.12244e+01 129.502 -2.15917e+00 2.61911e+00  0.00000e+00 0.00000e+00 5.37639e+01 129.502 1.25395e+01 129.502 0.8354 
1 1 1 13 23 8  o 1  1.17575e+02 2.23257e+01 4.07677e+01 353.680 4.93663e+00  -5.46753e-01 0.00000e+00 0.00000e+00 8.33069e+01 353.680 4.25392e+01 353.680 0.8926 
1 1 1 13 23 9  o 15 6.01456e+01 2.39550e+01 1.72039e+01 44.395  7.59798e-01  7.43918e-01  0.00000e+00 0.00000e+00 1.62447e+01 44.395  9.59194e-01 224.395 0.4684 
1 1 1 13 23 10 o 17 1.21199e+02 2.30057e+01 5.41522e+01 206.719 -6.32356e+00 -3.18311e+00 0.00000e+00 0.00000e+00 7.98011e+01 206.719 2.56489e+01 206.719 0.9264 
1 1 1 13 23 11 o 18 4.34409e+01 2.08449e+01 1.08273e+01 4.208   5.61268e-01  4.12983e-02  0.00000e+00 0.00000e+00 3.28222e+00 4.208   7.54509e+00 184.208 0.2708 
1 1 1 13 23 13 o 4  6.02293e+01 2.71822e+01 2.40306e+01 246.367 -6.84036e-01 -1.56328e+00 0.00000e+00 0.00000e+00 2.29955e+01 246.367 1.03512e+00 66.367  0.6432 
1 1 1 13 23 14 o 10 5.86663e+01 2.60913e+01 3.18860e+01 208.099 -1.95876e+00 -1.04582e+00 0.00000e+00 0.00000e+00 2.05201e+01 208.099 1.13659e+01 28.099  0.7309 
1 1 1 13 23 15 f 0  6.80206e+01 2.82767e+01 1.93820e+01 52.070  9.31870e-01  1.19573e+00  0.00000e+00 0.00000e+00 3.08722e+01 52.070  1.14902e+01 52.070  0.6001 
1 1 1 13 23 16 o 6  5.96428e+01 2.64345e+01 2.08860e+01 249.990 -5.64930e-01 -1.55129e+00 0.00000e+00 0.00000e+00 2.58364e+01 249.990 4.95049e+00 249.990 0.6313 
1 1 1 13 23 17 o 4  6.64043e+01 2.90183e+01 1.86674e+01 188.085 -1.58823e+00 -2.25620e-01 0.00000e+00 0.00000e+00 3.29187e+01 188.085 1.42513e+01 188.085 0.6209 
1 1 1 13 23 18 o 16 4.93145e+01 2.36483e+01 1.36961e+01 296.954 5.24345e-01  -1.03115e+00 0.00000e+00 0.00000e+00 1.73802e+01 296.954 3.68408e+00 296.954 0.4992 
1 1 1 13 23 19 o 15 6.26142e+01 2.80813e+01 5.34936e+00 73.205  1.41690e-01  4.69456e-01  0.00000e+00 0.00000e+00 1.36468e+01 73.205  8.29744e+00 73.205  0.2381 
1 1 1 13 24 0  o 14 6.22515e+01 3.84250e+01 3.39548e+01 270.000 -5.62220e-17 -9.18175e-01 0.00000e+00 0.00000e+00 1.98831e+01 270.000 1.40718e+01 90.000  0.7250 
1 1 1 13 24 1  o 14 7.07497e+01 2.77387e+01 2.48199e+01 335.567 1.42801e+00  -6.48756e-01 0.00000e+00 0.00000e+00 2.68930e+01 335.567 2.07312e+00 335.567 0.6126 
1 1 1 13 24 2  o 17 8.52428e+01 2.91451e+01 5.86930e+01 56.935  2.33615e+00  3.58845e+00  0.00000e+00 0.00000e+00 3.02196e+01 56.935  2.84735e+01 236.935 0.8735 
1 1 1 13 24 3  o 13 6.84889e+01 2.72431e+01 2.77070e+01 174.382 -1.70711e+00 1.67912e-01  0.00000e+00 0.00000e+00 2.51099e+01 174.382 2.59711e+00 354.382 0.6450 
1 1 1 13 24 4  f 0  5.38446e+01 2.39844e+01 2.94029e+01 235.026 -8.99516e-01 -1.28588e+00 0.00000e+00 0.00000e+00 1.01147e+01 235.026 1.92882e+01 55.026  0.6128 
1 1 1 13 24 5  o 7  5.99375e+01 2.51509e+01 1.33881e+01 114.933 -3.36766e-01 7.24422e-01  0.00000e+00 0.00000e+00 1.32776e+01 114.933 1.10545e-01 294.933 0.3706 
1 1 1 13 24 6  o 13 6.86456e+01 2.64992e+01 2.00846e+01 150.587 -1.14378e+00 6.44835e-01  0.00000e+00 0.00000e+00 2.50645e+01 150.587 4.97989e+00 150.587 0.5464 
1 1 1 13 24 7  o 17 1.25282e+02 2.59688e+01 5.18400e+01 265.059 -5.52532e-01 -6.39168e+00 0.00000e+00 0.00000e+00 8.71081e+01 265.059 3.52681e+01 265.059 0.9184 
1 1 1 13 24 8  o 16 9.99924e+01 2.49078e+01 5.74340e+01 56.661  3.34311e+00  5.08180e+00  0.00000e+00 0.00000e+00 5.33114e+01 56.661  4.12262e+00 236.661 0.9136 
1 1 1 13 24 9  o 9  1.14074e+02 2.56222e+01 3.69174e+01 102.776 -1.05976e+00 4.67350e+00  0.00000e+00 0.00000e+00 8.64533e+01 102.776 4.95359e+01 102.776 0.8883 
1 1 1 13 24 10 o 1  9.55312e+01 2.57687e+01 4.18873e+01 266.823 -2.77396e-01 -4.99812e+00 0.00000e+00 0.00000e+00 6.25320e+01 266.823 2.06447e+01 266.823 0.8935 
1 1 1 13 24 11 o 13 5.76670e+01 2.44822e+01 4.19089e+01 346.911 3.01146e+00  -7.00153e-01 0.00000e+00 0.00000e+00 1.59994e+01 346.911 2.59095e+01 166.911 0.8165 
1 1 1 13 24 12 o 5  6.67529e+01 2.73470e+01 2.91817e+01 129.342 -1.39634e+00 1.70341e+00  0.00000e+00 0.00000e+00 3.09612e+01 129.342 1.77945e+00 129.342 0.7284 
1 1 1 13 24 13 o 6  7.48523e+01 3.10091e+01 3.64196e+01 229.787 -1.81185e+00 -2.14307e+00 0.00000e+00 0.00000e+00 3.76147e+01 229.787 1.19504e+00 229.787 0.7946 
1 1 1 13 24 14 o 6  5.38257e+01 2.46607e+01 1.69312e+01 324.098 1.05778e+00  -7.65747e-01 0.00000e+00 0.00000e+00 1.97898e+01 324.098 2.85853e+00 324.098 0.5444 
1 1 1 13 24 15 o 1  5.17520e+01 2.49152e+01 2.93415e+01 81.909  3.39399e-01  2.38747e+00  0.00000e+00 0.00000e+00 1.99877e+01 81.909  9.35373e+00 261.909 0.7550 
1 1 1 13 24 16 o 15 6.14840e+01 2.79814e+01 9.68821e+00 196.570 -7.86901e-01 -2.34141e-01 0.00000e+00 0.00000e+00 1.99922e+01 196.570 1.03040e+01 196.570 0.3794 
1 1 1 13 24 17 o 17 4.70784e+01 2.29615e+01 2.04559e+01 253.180 -5.08469e-01 -1.68201e+00 0.00000e+00 0.00000e+00 1.90223e+01 253.180 1.43361e+00 73.180  0.6536 
1 1 1 13 24 18 o 19 4.94820e+01 2.37003e+01 2.51396e+01 355.920 2.29100e+00  -1.63413e-01 0.00000e+00 0.00000e+00 2.23186e+01 355.920 2.82099e+00 175.920 0.7410 
1 1 1 13 25 0  o 3  4.51753e+01 3.00617e+01 4.71321e+01 270.000 -7.43979e-17 -1.21501e+00 0.00000e+00 0.00000e+00 7.70036e-01 90.000  4.79021e+01 90.000  0.8382 
1 1 1 13 25 1  o 14 5.40174e+01 2.41672e+01 1.99576e+01 35.903  9.12047e-01  6.60284e-01  0.00000e+00 0.00000e+00 1.24090e+01 35.903  7.54858e+00 215.903 0.4892 
1 1 1 13 25 2  o 7  4.39523e+01 2.09681e+01 1.77258e+01 53.139  5.63021e-01  7.50929e-01  0.00000e+00 0.00000e+00 5.12546e+00 53.139  1.26004e+01 233.139 0.4242 
1 1 1 13 25 3  o 12 5.94231e+01 2.56946e+01 2.66589e+01 232.451 -9.98641e-01 -1.29915e+00 0.00000e+00 0.00000e+00 1.91792e+01 232.451 7.47975e+00 52.451  0.6286 
1 1 1 13 25 4  o 5  4.83356e+01 2.23103e+01 2.85606e+01 175.022 -1.58260e+00 1.37834e-01  0.00000e+00 0.00000e+00 8.11934e+00 175.022 2.04413e+01 355.022 0.6173 
1 1 1 13 25 5  o 12 4.74002e+01 2.19281e+01 7.86344e+00 45.574  3.38922e-01  3.45779e-01  0.00000e+00 0.00000e+00 5.87692e+00 45.574  1.98652e+00 225.574 0.2353 
1 1 1 13 25 6  o 3  4.36955e+01 2.07200e+01 1.01384e+01 93.872  -4.03974e-02 5.96802e-01  0.00000e+00 0.00000e+00 5.32717e+00 93.872  4.81128e+00 273.872 0.2865 
1 1 1 13 25 7  o 2  9.34469e+01 2.83344e+01 9.96769e+00 341.129 9.93771e-01  -3.39687e-01 0.00000e+00 0.00000e+00 4.37707e+01 341.129 3.38031e+01 341.129 0.4639 
1 1 1 13 25 8  o 17 6.09291e+01 2.46184e+01 1.41832e+01 129.318 -6.97314e-01 8.51419e-01  0.00000e+00 0.00000e+00 2.22749e+01 129.318 8.09173e+00 129.318 0.4809 
1 1 1 13 25 9  f 0  5.06879e+01 2.24182e+01 1.01925e+01 303.368 3.89233e-01  -5.91024e-01 0.00000e+00 0.00000e+00 1.09256e+01 303.368 7.33053e-01 303.368 0.3334 
1 1 1 13 25 10 o 16 6.11440e+01 2.47228e+01 7.56095e+00 352.907 6.10988e-01  -7.60313e-02 0.00000e+00 0.00000e+00 1.50213e+01 352.907 7.46037e+00 352.907 0.2941 
1 1 1 13 25 11 o 16 5.37502e+01 2.33640e+01 1.49017e+01 83.230  1.46588e-01  1.23485e+00  0.00000e+00 0.00000e+00 2.07918e+01 83.230  5.89006e+00 83.230  0.5261 
1 1 1 13 25 12 o 3  6.26026e+01 2.72608e+01 4.36254e+01 243.670 -1.54265e+00 -3.11718e+00 0.00000e+00 0.00000e+00 2.31384e+01 243.670 2.04870e+01 63.670  0.8399 
1 1 1 13 25 13 o 9  6.04533e+01 2.74639e+01 1.62912e+01 150.605 -1.19687e+00 6.74257e-01  0.00000e+00 0.00000e+00 2.72218e+01 150.605 1.09306e+01 150.605 0.5633 
1 1 1 13 25 14 o 14 4.99607e+01 2.35495e+01 2.48761e+01 28.277  1.82996e+00  9.84377e-01  0.00000e+00 0.00000e+00 2.07674e+01 28.277  4.10870e+00 208.277 0.7102 
1 1 1 13 25 15 o 6  4.60672e+01 2.21956e+01 1.21449e+01 217.727 -8.41021e-01 -6.50655e-01 0.00000e+00 0.00000e+00 1.58164e+01 217.727 3.67152e+00 217.727 0.4684 
1 1 1 13 25 16 o 8  3.57900e+01 1.80546e+01 1.11003e+01 256.004 -2.46615e-01 -9.89427e-01 0.00000e+00 0.00000e+00 1.00899e+01 256.004 1.01039e+00 76.004  0.4533 
1 1 1 13 26 0  o 1  4.01698e+01 2.73902e+01 7.49804e+00 270.000 -1.48319e-17 -2.42224e-01 0.00000e+00 0.00000e+00 4.51001e+00 270.000 2.98803e+00 90.000  0.2376 
1 1 1 13 26 1  o 7  5.23533e+01 2.37254e+01 2.48775e+01 129.920 -1.12933e+00 1.34969e+00  0.00000e+00 0.00000e+00 1.82197e+01 129.920 6.65783e+00 309.920 0.6541 
1 1 1 13 26 2  o 6  4.82234e+01 2.24668e+01 2.52394e+01 123.943 -9.42808e-01 1.40078e+00  0.00000e+00 0.00000e+00 1.35938e+01 123.943 1.16456e+01 303.943 0.6394 
1 1 1 13 26 3  o 17 4.89515e+01 2.25696e+01 2.41429e+01 254.266 -4.42149e-01 -1.56946e+00 0.00000e+00 0.00000e+00 1.45479e+01 254.266 9.59503e+00 74.266  0.6268 
1 1 1 13 26 4  o 17 4.42208e+01 2.11684e+01 1.54482e+01 84.025  1.03430e-01  9.88138e-01  0.00000e+00 0.00000e+00 9.35965e+00 84.025  6.08859e+00 264.025 0.4441 
1 1 1 13 26 5  f 0  7.13212e+01 2.76736e+01 1.34603e+01 29.649  9.31074e-01  5.29982e-01  0.00000e+00 0.00000e+00 2.90804e+01 29.649  1.56201e+01 29.649  0.4711 
1 1 1 13 26 6  o 12 6.19408e+01 2.61493e+01 2.74133e+01 261.350 -3.01602e-01 -1.98247e+00 0.00000e+00 0.00000e+00 2.75291e+01 261.350 1.15852e-01 261.350 0.6986 
1 1 1 13 26 7  f 0  4.50523e+01 2.13114e+01 3.11610e+01 57.908  1.14266e+00  1.82212e+00  0.00000e+00 0.00000e+00 1.02179e+01 57.908  2.09431e+01 237.908 0.7210 
1 1 1 13 26 8  o 6  8.64809e+01 2.64684e+01 1.11547e+01 125.290 -7.49138e-01 1.05843e+00  0.00000e+00 0.00000e+00 4.87471e+01 125.290 3.75924e+01 125.290 0.5417 
1 1 1 13 26 9  o 13 7.68627e+01 2.60535e+01 3.43550e+01 277.786 4.80136e-01  -3.51160e+00 0.00000e+00 0.00000e+00 4.88877e+01 277.786 1.45327e+01 277.786 0.8434 
1 1 1 13 26 10 o 1  6.55292e+01 2.54118e+01 9.08032e+00 340.617 8.66065e-01  -3.04695e-01 0.00000e+00 0.00000e+00 2.61454e+01 340.617 1.70651e+01 340.617 0.4166 
1 1 1 13 26 11 o 3  7.05809e+01 2.61808e+01 3.22499e+01 137.214 -2.44965e+00 2.26732e+00  0.00000e+00 0.00000e+00 4.39376e+01 137.214 1.16878e+01 137.214 0.8322 
1 1 1 13 26 12 o 6  5.81464e+01 2.53426e+01 1.80613e+01 326.781 1.37036e+00  -8.97370e-01 0.00000e+00 0.00000e+00 2.96146e+01 326.781 1.15532e+01 326.781 0.6285 
1 1 1 13 26 13 o 19 5.22271e+01 2.40757e+01 7.71177e+00 206.380 -6.16717e-01 -3.05875e-01 0.00000e+00 0.00000e+00 1.45944e+01 206.380 6.88262e+00 206.380 0.3253 
1 1 1 13 26 14 o 19 5.40294e+01 2.49032e+01 3.08012e+01 88.235  8.77224e-02  2.84623e+00  0.00000e+00 0.00000e+00 2.61972e+01 88.235  4.60403e+00 268.235 0.7981 
1 1 1 13 27 0  o 12 4.50389e+01 2.98499e+01 2.11008e+01 90.000  5.01406e-17  8.18858e-01  0.00000e+00 0.00000e+00 1.82128e+01 90.000  2.88799e+00 270.000 0.6744 
1 1 1 13 27 1  o 9  6.04065e+01 2.60402e+01 1.27150e+01 79.896  1.84335e-01  1.03441e+00  0.00000e+00 0.00000e+00 2.35747e+01 79.896  1.08597e+01 79.896  0.4641 
1 1 1 13 27 2  o 4  4.78859e+01 2.23333e+01 9.91150e+00 122.859 -4.18422e-01 6.47809e-01  0.00000e+00 0.00000e+00 1.23913e+01 122.859 2.47979e+00 122.859 0.3595 
1 1 1 13 27 3  o 15 5.35852e+01 2.40580e+01 1.37272e+01 312.296 7.40838e-01  -8.14290e-01 0.00000e+00 0.00000e+00 1.97057e+01 312.296 5.97855e+00 312.296 0.4810 
1 1 1 13 27 4  o 5  6.65602e+01 2.69012e+01 1.32700e+01 244.949 -4.89780e-01 -1.04791e+00 0.00000e+00 0.00000e+00 2.99041e+01 244.949 1.66342e+01 244.949 0.4992 
1 1 1 13 27 5  o 15 5.81996e+01 2.54033e+01 9.38850e+00 346.969 7.33292e-01  -1.69717e-01 0.00000e+00 0.00000e+00 1.72913e+01 346.969 7.90282e+00 346.969 0.3520 
1 1 1 13 27 6  o 16 4.75879e+01 2.21147e+01 1.89132e+01 157.189 -1.32523e+00 5.57368e-01  0.00000e+00 0.00000e+00 1.71555e+01 157.189 1.75777e+00 337.189 0.5803 
1 1 1 13 27 7  o 14 5.14229e+01 2.34083e+01 1.90264e+01 137.295 -1.22239e+00 1.12817e+00  0.00000e+00 0.00000e+00 2.36935e+01 137.295 4.66712e+00 137.295 0.6340 
1 1 1 13 27 8  f 0  5.59214e+01 2.38090e+01 3.26371e+01 315.341 2.13733e+00  -2.11203e+00 0.00000e+00 0.00000e+00 2.69649e+01 315.341 5.67225e+00 135.341 0.8103 
1 1 1 13 27 9  o 9  5.77275e+01 2.40058e+01 1.12353e+01 147.171 -9.08591e-01 5.86201e-01  0.00000e+00 0.00000e+00 2.49433e+01 147.171 1.37080e+01 147.171 0.4745 
1 1 1 13 27 10 f 0  4.72605e+01 2.13696e+01 2.50146e+01 171.734 -2.31858e+00 3.36858e-01  0.00000e+00 0.00000e+00 2.18286e+01 171.734 3.18601e+00 351.734 0.7468 
1 1 1 13 27 11 o 8  4.96302e+01 2.21927e+01 2.23608e+01 279.030 3.48165e-01  -2.19081e+00 0.00000e+00 0.00000e+00 2.60183e+01 279.030 3.65755e+00 279.030 0.7306 
1 1 1 13 27 12 o 6  5.28343e+01 2.38832e+01 2.60294e+01 47.282  1.68347e+00  1.82319e+00  0.00000e+00 0.00000e+00 2.80714e+01 47.282  2.04195e+00 47.282  0.7630 
1 1 1 13 28 0  o 8  5.20703e+01 3.33620e+01 5.08689e+01 90.000  1.34643e-16  2.19888e+00  0.00000e+00 0.00000e+00 1.68397e+01 90.000  3.40292e+01 270.000 0.9757 
1 1 1 13 28 1  o 9  5.27228e+01 2.41333e+01 7.97242e+00 310.607 4.41455e-01  -5.14926e-01 0.00000e+00 0.00000e+00 1.45893e+01 310.607 6.61683e+00 310.607 0.3210 
1 1 1 13 28 2  o 12 6.76032e+01 2.75465e+01 3.15755e+01 259.601 -5.22202e-01 -2.84544e+00 0.00000e+00 0.00000e+00 4.07323e+01 259.601 9.15678e+00 259.601 0.8017 
1 1 1 13 28 3  o 19 3.99721e+01 1.95866e+01 6.90458e+00 38.589  4.41839e-01  3.52579e-01  0.00000e+00 0.00000e+00 7.61389e+00 38.589  7.09317e-01 38.589  0.2719 
1 1 1 13 28 4  o 10 4.70273e+01 2.21199e+01 1.02625e+01 147.461 -7.48475e-01 4.77550e-01  0.00000e+00 0.00000e+00 1.52386e+01 147.461 4.97612e+00 147.461 0.4052 
1 1 1 13 28 5  o 14 4.72666e+01 2.21429e+01 1.01913e+01 118.113 -4.16087e-01 7.78845e-01  0.00000e+00 0.00000e+00 1.53817e+01 118.113 5.19039e+00 118.113 0.4034 
1 1 1 13 28 6  o 2  6.15651e+01 2.61831e+01 1.72222e+01 41.545  1.20268e+00  1.06573e+00  0.00000e+00 0.00000e+00 3.42348e+01 41.545  1.70126e+01 41.545  0.6215 
1 1 1 13 28 7  o 17 5.87245e+01 2.56972e+01 1.33417e+01 147.332 -1.02258e+00 6.55666e-01  0.00000e+00 0.00000e+00 2.76492e+01 147.332 1.43075e+01 147.332 0.5173 
1 1 1 13 28 8  o 16 4.62493e+01 2.12935e+01 7.58326e+00 298.728 3.53601e-01  -6.45117e-01 0.00000e+00 0.00000e+00 1.40280e+01 298.728 6.44473e+00 298.728 0.3450 
1 1 1 13 28 9  o 9  5.70231e+01 2.37222e+01 3.45005e+00 245.973 -1.45141e-01 -3.25580e-01 0.00000e+00 0.00000e+00 1.01595e+01 245.973 6.70948e+00 245.973 0.1755 
1 1 1 13 29 0  o 3  4.27062e+01 2.88680e+01 2.30942e+01 90.000  6.65619e-17  1.08704e+00  0.00000e+00 0.00000e+00 2.35966e+01 90.000  5.02430e-01 90.000  0.7958 
1 1 1 13 29 1  o 19 4.66801e+01 2.21858e+01 9.78178e+00 21.468  8.40361e-01  3.30478e-01  0.00000e+00 0.00000e+00 1.65809e+01 21.468  6.79912e+00 21.468  0.4110 
1 1 1 13 29 2  o 16 4.68638e+01 2.21961e+01 2.70604e+01 220.716 -1.89827e+00 -1.63371e+00 0.00000e+00 0.00000e+00 2.22742e+01 220.716 4.78621e+00 40.716  0.7655 
1 1 1 13 29 3  o 14 6.13991e+01 2.62426e+01 1.76148e+01 227.469 -1.14106e+00 -1.24388e+00 0.00000e+00 0.00000e+00 3.64335e+01 227.469 1.88186e+01 227.469 0.6393 
1 1 1 13 29 4  o 7  5.59227e+01 2.48515e+01 1.09051e+01 10.445  1.01165e+00  1.86500e-01  0.00000e+00 0.00000e+00 2.43068e+01 10.445  1.34017e+01 10.445  0.4565 
1 1 1 13 29 5  f 0  4.44160e+01 2.12642e+01 1.43504e+01 62.944  6.04268e-01  1.18307e+00  0.00000e+00 0.00000e+00 1.94712e+01 62.944  5.12077e+00 62.944  0.5508 
1 1 1 14 0  1  o 12 3.80513e+02 2.56560e+01 1.24452e+02 270.000 -1.69056e-16 -2.76090e+00 0.00000e+00 0.00000e+00 1.84038e+02 270.000 5.95863e+01 270.000 0.9920 
1 1 1 14 0  2  o 19 1.01088e+02 3.58928e+01 5.01480e+01 180.000 -2.90340e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.67967e+01 0.000   7.69447e+01 0.000   0.2824 
1 1 1 14 0  3  o 10 1.13866e+02 3.52792e+01 4.67063e+01 90.000  1.85814e-17  3.03457e-01  0.00000e+00 0.00000e+00 1.92488e+01 270.000 6.59552e+01 270.000 0.2945 
1 1 1 14 0  4  o 7  4.62822e+02 2.70580e+01 1.60097e+02 180.000 -4.25069e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.19415e+02 180.000 5.93175e+01 180.000 0.9996 
1 1 1 14 0  5  o 4  1.06895e+03 4.78635e+01 3.74063e+02 90.000  1.36757e-15  2.23340e+01  0.00000e+00 0.00000e+00 5.04821e+02 90.000  1.30757e+02 90.000  1.0000 
1 1 1 14 0  6  o 15 2.25661e+02 2.49718e+01 9.27389e+01 0.000   1.20317e+00  0.00000e+00  0.00000e+00 0.00000e+00 6.25436e+01 0.000   3.01953e+01 180.000 0.8346 
1 1 1 14 0  7  o 18 1.98804e+02 2.63570e+01 1.11467e+02 270.000 -9.35106e-17 -1.52714e+00 0.00000e+00 0.00000e+00 3.81700e+01 270.000 7.32969e+01 90.000  0.9099 
1 1 1 14 0  8  o 1  1.84930e+02 1.85347e+01 8.68475e+01 180.000 -1.29755e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.53739e+01 180.000 4.14736e+01 0.000   0.8611 
1 1 1 14 0  10 o 14 4.13208e+02 1.89832e+01 1.02199e+02 0.000   4.33294e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.43905e+02 0.000   1.41706e+02 0.000   0.9997 
1 1 1 14 0  11 f 0  7.22523e+02 2.49665e+01 1.31779e+02 90.000  5.40591e-16  8.82852e+00  0.00000e+00 0.00000e+00 4.76832e+02 90.000  3.45053e+02 90.000  1.0000 
1 1 1 14 0  12 f 0  1.17744e+02 2.87820e+01 2.73972e+01 0.000   3.34947e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.82028e+00 0.000   2.25769e+01 180.000 0.3230 
1 1 1 14 0  13 o 1  2.19775e+02 1.97556e+01 1.54613e+01 90.000  2.26081e-17  3.69219e-01  0.00000e+00 0.00000e+00 5.07415e+01 90.000  3.52803e+01 90.000  0.3533 
1 1 1 14 0  14 o 2  4.02766e+02 1.96674e+01 1.71747e+02 180.000 -1.03590e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.73997e+02 180.000 2.25064e+00 180.000 1.0000 
1 1 1 14 0  15 o 7  4.07754e+01 2.66422e+01 1.56428e+00 270.000 -5.53226e-19 -9.03487e-03 0.00000e+00 0.00000e+00 1.24572e+00 90.000  2.80999e+00 90.000  0.0090 
1 1 1 14 0  16 o 2  2.56605e+01 1.85630e+01 3.61472e+00 0.000   1.63439e-02  0.00000e+00  0.00000e+00 0.00000e+00 3.24925e+00 180.000 6.86398e+00 180.000 0.0163 
1 1 1 14 0  18 o 12 8.20013e+01 4.99499e+01 1.40254e+01 0.000   2.00364e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.49505e-01 0.000   1.36758e+01 180.000 0.1977 
1 1 1 14 0  19 o 10 4.55581e+02 3.46640e+01 1.45142e+02 270.000 -7.33195e-16 -1.19740e+01 0.00000e+00 0.00000e+00 2.62555e+02 270.000 1.17413e+02 270.000 1.0000 
1 1 1 14 0  20 o 13 7.67260e+01 3.95034e+01 6.41130e+01 180.000 -1.15499e+00 0.00000e+00  0.00000e+00 0.00000e+00 7.29550e+00 0.000   7.14085e+01 0.000   0.8194 
1 1 1 14 0  21 o 14 1.21000e+02 4.14046e+01 6.36480e+01 90.000  1.22092e-16  1.99392e+00  0.00000e+00 0.00000e+00 4.28187e+01 90.000  2.08294e+01 270.000 0.9636 
1 1 1 14 0  22 o 1  4.95893e+01 3.28130e+01 4.02576e+01 0.000   6.85453e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.30188e+01 180.000 5.32764e+01 180.000 0.5951 
1 1 1 14 0  23 o 13 6.93584e+01 4.15070e+01 1.55012e+01 270.000 -2.62926e-17 -4.29391e-01 0.00000e+00 0.00000e+00 1.07122e+01 270.000 4.78906e+00 90.000  0.4048 
1 1 1 14 0  24 o 5  4.41548e+01 3.03101e+01 2.85504e+00 180.000 -5.96220e-02 0.00000e+00  0.00000e+00 0.00000e+00 3.70823e-01 0.000   3.22586e+00 0.000   0.0596 
1 1 1 14 0  25 o 12 4.43058e+01 3.02364e+01 4.74138e+00 90.000  6.86132e-18  1.12054e-01  0.00000e+00 0.00000e+00 1.24829e-02 270.000 4.75387e+00 270.000 0.1116 
1 1 1 14 0  26 o 12 6.23975e+01 3.81032e+01 2.51899e+01 0.000   9.22719e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.87724e+01 0.000   6.41755e+00 180.000 0.7272 
1 1 1 14 0  27 o 14 4.66943e+01 3.15585e+01 5.63889e+00 270.000 -1.12549e-17 -1.83806e-01 0.00000e+00 0.00000e+00 2.69497e+00 270.000 2.94392e+00 90.000  0.1818 
1 1 1 14 0  28 o 15 6.42657e+01 3.96056e+01 2.93515e+01 180.000 -1.36441e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.67897e+01 180.000 2.56183e+00 0.000   0.8774 
1 1 1 14 0  29 o 5  3.77613e+01 2.69995e+01 4.62046e+00 90.000  1.18963e-17  1.94282e-01  0.00000e+00 0.00000e+00 2.69774e+00 90.000  1.92272e+00 270.000 0.1919 
1 1 1 14 1  1  o 6  3.91774e+02 2.58452e+01 1.69021e+02 235.541 -4.29557e+00 -6.25972e+00 0.00000e+00 0.00000e+00 1.29409e+02 235.541 3.96119e+01 55.541  0.9316 
1 1 1 14 1  2  o 15 6.32092e+01 2.60648e+01 1.06703e+02 66.304  3.09702e-01  7.05659e-01  0.00000e+00 0.00000e+00 8.81195e+01 246.304 1.94822e+02 246.304 0.3593 
1 1 1 14 1  3  o 6  6.96700e+02 2.40350e+01 2.73725e+02 72.209  6.65762e+00  2.07475e+01  0.00000e+00 0.00000e+00 2.83839e+02 72.209  1.01139e+01 72.209  0.9768 
1 1 1 14 1  4  o 10 5.57355e+02 2.08648e+01 2.11744e+02 170.858 -1.33137e+01 2.14246e+00  0.00000e+00 0.00000e+00 2.28412e+02 170.858 1.66687e+01 170.858 0.9622 
1 1 1 14 1  5  o 9  2.91256e+02 1.68708e+01 1.17679e+02 250.313 -1.34187e+00 -3.75028e+00 0.00000e+00 0.00000e+00 8.90617e+01 250.313 2.86173e+01 70.313  0.8629 
1 1 1 14 1  6  f 0  4.23927e+02 1.83066e+01 2.01605e+02 353.521 1.18406e+01  -1.34462e+00 0.00000e+00 0.00000e+00 1.33089e+02 353.521 6.85153e+01 173.521 0.9571 
1 1 1 14 1  7  o 5  3.92506e+02 1.79615e+01 9.53782e+01 118.892 -2.49455e+00 4.52039e+00  0.00000e+00 0.00000e+00 1.96021e+02 118.892 1.00643e+02 118.892 0.8970 
1 1 1 14 1  8  o 6  1.54227e+02 1.57045e+01 5.50369e+01 225.023 -9.63849e-01 -9.64622e-01 0.00000e+00 0.00000e+00 1.67871e+01 225.023 3.82498e+01 45.023  0.5606 
1 1 1 14 1  9  o 19 5.24414e+02 1.45438e+01 1.52010e+02 261.183 -2.16993e+00 -1.39887e+01 0.00000e+00 0.00000e+00 2.69777e+02 261.183 1.17767e+02 261.183 0.9640 
1 1 1 14 1  10 o 5  2.98361e+02 1.48470e+01 1.05192e+02 113.587 -2.56644e+00 5.87796e+00  0.00000e+00 0.00000e+00 1.24511e+02 113.587 1.93186e+01 113.587 0.9183 
1 1 1 14 1  11 o 16 1.87347e+02 1.37190e+01 5.95400e+01 96.214  -2.25926e-01 2.07507e+00  0.00000e+00 0.00000e+00 5.28187e+01 96.214  6.72124e+00 276.214 0.7116 
1 1 1 14 1  12 o 1  4.08059e+02 1.34499e+01 1.02091e+02 317.147 6.47089e+00  -6.00334e+00 0.00000e+00 0.00000e+00 2.23591e+02 317.147 1.21501e+02 317.147 0.9415 
1 1 1 14 1  13 o 11 2.03605e+02 1.40497e+01 8.69336e+01 47.359  2.60352e+00  2.82726e+00  0.00000e+00 0.00000e+00 6.19530e+01 47.359  2.49806e+01 227.359 0.8572 
1 1 1 14 1  14 o 11 3.45707e+02 1.37110e+01 1.24090e+02 94.415  -9.89175e-01 1.28122e+01  0.00000e+00 0.00000e+00 1.61033e+02 94.415  3.69422e+01 94.415  0.9603 
1 1 1 14 1  15 o 6  1.94479e+02 1.53351e+01 1.01413e+02 211.695 -4.82226e+00 -2.97775e+00 0.00000e+00 0.00000e+00 5.11766e+01 211.695 5.02362e+01 31.695  0.9069 
1 1 1 14 1  16 o 16 1.68358e+02 1.72634e+01 9.04719e+01 320.669 4.07129e+00  -3.33602e+00 0.00000e+00 0.00000e+00 4.15277e+01 320.669 4.89442e+01 140.669 0.8992 
1 1 1 14 1  17 o 18 3.64937e+02 1.63339e+01 1.06385e+02 358.906 1.35398e+01  -2.58568e-01 0.00000e+00 0.00000e+00 2.02407e+02 358.906 9.60224e+01 358.906 0.9623 
1 1 1 14 1  18 o 13 2.65038e+02 1.88402e+01 9.00183e+01 202.133 -8.92797e+00 -3.63120e+00 0.00000e+00 0.00000e+00 1.32533e+02 202.133 4.25146e+01 202.133 0.9466 
1 1 1 14 1  19 o 4  1.53253e+02 3.75648e+01 8.63560e+01 124.043 -2.37079e+00 3.50919e+00  0.00000e+00 0.00000e+00 3.32965e+01 124.043 5.30595e+01 304.043 0.8720 
1 1 1 14 1  20 o 16 9.96807e+01 2.78382e+01 2.54334e+01 156.499 -1.09259e+00 4.75097e-01  0.00000e+00 0.00000e+00 2.05450e+01 156.499 4.88838e+00 336.499 0.5101 
1 1 1 14 1  21 o 11 5.12322e+01 2.32690e+01 1.39705e+01 132.203 -2.68958e-01 2.96584e-01  0.00000e+00 0.00000e+00 4.78325e+00 312.203 1.87537e+01 312.203 0.1963 
1 1 1 14 1  22 o 15 1.93644e+02 4.89101e+01 9.37778e+01 2.521   7.84425e+00  3.45331e-01  0.00000e+00 0.00000e+00 7.32575e+01 2.521   2.05202e+01 182.521 0.9340 
1 1 1 14 1  23 o 14 1.20930e+02 3.42366e+01 5.70100e+01 283.320 1.13655e+00  -4.80061e+00 0.00000e+00 0.00000e+00 4.37318e+01 283.320 1.32782e+01 103.320 0.8918 
1 1 1 14 1  24 o 4  7.71297e+01 3.50200e+01 5.56450e+01 203.499 -2.77179e+00 -1.20513e+00 0.00000e+00 0.00000e+00 3.52893e+00 203.499 5.21161e+01 23.499  0.8116 
1 1 1 14 1  25 o 7  5.76057e+01 2.60471e+01 2.05902e+01 245.852 -4.64993e-01 -1.03719e+00 0.00000e+00 0.00000e+00 6.57308e+00 245.852 1.40171e+01 65.852  0.4927 
1 1 1 14 1  26 o 3  4.68397e+01 2.23312e+01 1.29045e+01 200.984 -7.60764e-01 -2.91780e-01 0.00000e+00 0.00000e+00 4.21134e+00 200.984 8.69314e+00 20.984  0.3769 
1 1 1 14 1  27 o 16 1.01952e+02 3.17045e+01 4.52013e+01 86.601  2.82997e-01  4.76421e+00  0.00000e+00 0.00000e+00 4.37254e+01 86.601  1.47595e+00 266.601 0.8878 
1 1 1 14 1  28 o 15 5.64357e+01 2.58397e+01 2.65846e+01 334.324 2.13480e+00  -1.02630e+00 0.00000e+00 0.00000e+00 1.55756e+01 334.324 1.10090e+01 154.324 0.7499 
1 1 1 14 1  29 o 13 6.28432e+01 2.78650e+01 1.28097e+01 353.789 1.21752e+00  -1.32501e-01 0.00000e+00 0.00000e+00 2.02381e+01 353.789 7.42838e+00 353.789 0.5204 
1 1 1 14 2  1  o 15 2.38213e+02 2.43173e+01 1.75942e+01 209.432 -4.18902e-01 -2.36346e-01 0.00000e+00 0.00000e+00 2.80164e+01 209.432 1.04223e+01 209.432 0.2338 
1 1 1 14 2  2  o 3  3.61653e+02 1.76984e+01 1.63676e+02 103.396 -1.59006e+00 6.67644e+00  0.00000e+00 0.00000e+00 1.10197e+02 103.396 5.34789e+01 283.396 0.9240 
1 1 1 14 2  3  o 3  3.34336e+02 1.73072e+01 7.01245e+01 127.882 -1.66225e+00 2.13666e+00  0.00000e+00 0.00000e+00 1.45463e+02 127.882 7.53387e+01 127.882 0.7858 
1 1 1 14 2  4  o 16 4.90195e+02 1.95244e+01 1.43694e+02 163.993 -7.87832e+00 2.26007e+00  0.00000e+00 0.00000e+00 2.33837e+02 163.993 9.01430e+01 163.993 0.9368 
1 1 1 14 2  5  o 10 3.06194e+02 2.42028e+01 1.02775e+02 303.665 1.99351e+00  -2.99309e+00 0.00000e+00 0.00000e+00 1.10655e+02 303.665 7.88043e+00 303.665 0.8460 
1 1 1 14 2  6  o 16 4.18611e+02 1.83325e+01 1.22726e+02 305.140 4.11284e+00  -5.84325e+00 0.00000e+00 0.00000e+00 1.97940e+02 305.140 7.52136e+01 305.140 0.9271 
1 1 1 14 2  7  o 14 6.39075e+02 1.86018e+01 1.55741e+02 84.453  1.32196e+00  1.36120e+01  0.00000e+00 0.00000e+00 3.54269e+02 84.453  1.98528e+02 84.453  0.9627 
1 1 1 14 2  8  o 14 2.31190e+02 1.43266e+01 7.36415e+01 19.223  2.58386e+00  9.00974e-01  0.00000e+00 0.00000e+00 7.80324e+01 19.223  4.39099e+00 19.223  0.7884 
1 1 1 14 2  9  o 6  3.70104e+02 1.48038e+01 7.65743e+01 4.660   5.00229e+00  4.07742e-01  0.00000e+00 0.00000e+00 1.99870e+02 4.660   1.23296e+02 4.660   0.8938 
1 1 1 14 2  10 o 4  3.31881e+02 1.27745e+01 4.88595e+01 145.887 -2.75131e+00 1.86372e+00  0.00000e+00 0.00000e+00 1.82803e+02 145.887 1.33943e+02 145.887 0.8313 
1 1 1 14 2  11 o 19 4.17923e+02 1.57447e+01 1.44865e+02 261.837 -1.59786e+00 -1.11396e+01 0.00000e+00 0.00000e+00 1.91862e+02 261.837 4.69975e+01 261.837 0.9545 
1 1 1 14 2  12 o 14 3.02921e+02 1.30850e+01 1.07093e+02 159.620 -6.43680e+00 2.39127e+00  0.00000e+00 0.00000e+00 1.30558e+02 159.620 2.34644e+01 159.620 0.9240 
1 1 1 14 2  13 o 1  3.06035e+02 1.31226e+01 1.07477e+02 172.614 -7.08678e+00 9.18701e-01  0.00000e+00 0.00000e+00 1.34951e+02 172.614 2.74735e+01 172.614 0.9271 
1 1 1 14 2  14 o 4  1.82252e+02 1.56514e+01 2.42505e+01 175.257 -1.30759e+00 1.08497e-01  0.00000e+00 0.00000e+00 6.13742e+01 175.257 3.71237e+01 175.257 0.5461 
1 1 1 14 2  15 o 15 2.86982e+02 1.40285e+01 1.33318e+02 18.995  1.04293e+01  3.59002e+00  0.00000e+00 0.00000e+00 1.03817e+02 18.995  2.95011e+01 198.995 0.9535 
1 1 1 14 2  16 o 4  1.96888e+02 1.58173e+01 6.56850e+01 37.553  3.56352e+00  2.73964e+00  0.00000e+00 0.00000e+00 8.56679e+01 37.553  1.99830e+01 37.553  0.8802 
1 1 1 14 2  17 o 13 2.12769e+02 1.64636e+01 6.76661e+01 185.177 -5.70315e+00 -5.16728e-01 0.00000e+00 0.00000e+00 1.02453e+02 185.177 3.47868e+01 185.177 0.9079 
1 1 1 14 2  18 o 15 2.62055e+02 1.90678e+01 9.64134e+01 250.088 -3.46639e+00 -9.56980e+00 0.00000e+00 0.00000e+00 1.24665e+02 250.088 2.82519e+01 250.088 0.9495 
1 1 1 14 2  19 o 3  2.04257e+02 2.25127e+01 6.61048e+01 141.762 -3.89429e+00 3.06873e+00  0.00000e+00 0.00000e+00 9.73640e+01 141.762 3.12592e+01 141.762 0.8924 
1 1 1 14 2  20 o 10 9.06705e+01 3.17209e+01 2.24125e+01 36.716  7.28866e-01  5.43591e-01  0.00000e+00 0.00000e+00 1.15276e+01 36.716  1.08849e+01 216.716 0.4133 
1 1 1 14 2  21 o 5  1.84521e+02 1.98401e+01 8.06920e+01 334.117 7.78000e+00  -3.77487e+00 0.00000e+00 0.00000e+00 7.80738e+01 334.117 2.61822e+00 154.117 0.9403 
1 1 1 14 2  22 o 4  1.44089e+02 2.64016e+01 5.61147e+01 121.645 -2.93977e+00 4.77015e+00  0.00000e+00 0.00000e+00 6.46093e+01 121.645 8.49458e+00 121.645 0.9057 
1 1 1 14 2  23 o 5  7.28378e+01 2.99819e+01 3.02423e+01 115.174 -7.37129e-01 1.56835e+00  0.00000e+00 0.00000e+00 1.39634e+01 115.174 1.62789e+01 295.174 0.6487 
1 1 1 14 2  24 o 14 6.33828e+01 2.77250e+01 4.25100e+01 308.134 1.38103e+00  -1.75914e+00 0.00000e+00 0.00000e+00 1.47814e+00 308.134 4.10319e+01 128.134 0.7330 
1 1 1 14 2  25 o 7  1.13264e+02 2.91004e+01 9.27531e+00 148.472 -7.95920e-01 4.88272e-01  0.00000e+00 0.00000e+00 3.65867e+01 148.472 2.73114e+01 148.472 0.4224 
1 1 1 14 2  26 o 10 7.17142e+01 2.89487e+01 2.39364e+01 198.842 -1.79084e+00 -6.11125e-01 0.00000e+00 0.00000e+00 2.33611e+01 198.842 5.75252e-01 18.842  0.6793 
1 1 1 14 2  27 o 1  9.43767e+01 3.15346e+01 2.39494e+01 240.013 -1.17524e+00 -2.03664e+00 0.00000e+00 0.00000e+00 4.54990e+01 240.013 2.15496e+01 240.013 0.7478 
1 1 1 14 2  28 o 13 4.55334e+01 2.20744e+01 1.43199e+01 81.689  1.73253e-01  1.18601e+00  0.00000e+00 0.00000e+00 8.95666e+00 81.689  5.36326e+00 261.689 0.5123 
1 1 1 14 2  29 o 13 6.14763e+01 2.74029e+01 2.40236e+01 57.247  1.23869e+00  1.92557e+00  0.00000e+00 0.00000e+00 2.20262e+01 57.247  1.99734e+00 237.247 0.7400 
1 1 1 14 3  0  o 10 7.88103e+01 3.62141e+01 1.77579e+01 0.000   7.97904e-02  0.00000e+00  0.00000e+00 0.00000e+00 1.26064e+01 180.000 3.03643e+01 180.000 0.0796 
1 1 1 14 3  1  o 6  5.07634e+02 2.86624e+01 2.26250e+02 114.062 -5.29355e+00 1.18549e+01  0.00000e+00 0.00000e+00 1.74210e+02 114.062 5.20395e+01 294.062 0.9607 
1 1 1 14 3  2  o 3  2.78744e+02 2.41654e+01 1.08773e+02 103.372 -7.99220e-01 3.36213e+00  0.00000e+00 0.00000e+00 8.33599e+01 103.372 2.54132e+01 283.372 0.8388 
1 1 1 14 3  3  o 15 6.19246e+02 2.23670e+01 2.44928e+02 224.336 -1.25805e+01 -1.22923e+01 0.00000e+00 0.00000e+00 2.49898e+02 224.336 4.96979e+00 224.336 0.9711 
1 1 1 14 3  4  o 15 3.57515e+02 1.73781e+01 1.17426e+02 313.260 3.34630e+00  -3.55595e+00 0.00000e+00 0.00000e+00 1.45024e+02 313.260 2.75988e+01 313.260 0.8906 
1 1 1 14 3  5  o 1  5.48676e+02 2.06506e+01 2.21770e+02 323.512 1.12179e+01  -8.29706e+00 0.00000e+00 0.00000e+00 2.14959e+02 323.512 6.81061e+00 143.512 0.9635 
1 1 1 14 3  6  o 1  9.37504e+01 2.34553e+01 3.47091e+01 186.271 -4.42644e-01 -4.86449e-02 0.00000e+00 0.00000e+00 1.78312e+01 6.271   5.25402e+01 6.271   0.2173 
1 1 1 14 3  7  o 16 1.89168e+02 1.47925e+01 9.72918e+01 103.992 -7.21209e-01 2.89428e+00  0.00000e+00 0.00000e+00 2.98606e+01 103.992 6.74312e+01 283.992 0.8087 
1 1 1 14 3  8  o 12 2.15154e+02 1.76322e+01 8.10014e+01 74.731  7.29783e-01  2.67326e+00  0.00000e+00 0.00000e+00 6.10824e+01 74.731  1.99191e+01 254.731 0.7915 
1 1 1 14 3  9  o 4  4.21521e+02 1.32845e+01 1.85354e+02 97.453  -1.79388e+00 1.37133e+01  0.00000e+00 0.00000e+00 1.54820e+02 97.453  3.05342e+01 277.453 0.9631 
1 1 1 14 3  10 o 4  4.97045e+02 1.42737e+01 2.03460e+02 304.440 1.16398e+01  -1.69740e+01 0.00000e+00 0.00000e+00 2.04716e+02 304.440 1.25577e+00 304.440 0.9754 
1 1 1 14 3  11 o 6  5.33056e+02 1.48758e+01 1.56226e+02 278.735 2.34798e+00  -1.52817e+01 0.00000e+00 0.00000e+00 2.80104e+02 278.735 1.23878e+02 278.735 0.9671 
1 1 1 14 3  12 o 16 6.22499e+02 1.62020e+01 2.04845e+02 85.496  2.19027e+00  2.78061e+01  0.00000e+00 0.00000e+00 3.15510e+02 85.496  1.10664e+02 85.496  0.9819 
1 1 1 14 3  13 o 19 5.24124e+02 1.49630e+01 1.47648e+02 120.920 -1.10409e+01 1.84334e+01  0.00000e+00 0.00000e+00 2.90792e+02 120.920 1.43144e+02 120.920 0.9764 
1 1 1 14 3  14 o 18 4.67995e+02 1.72941e+01 1.45834e+02 224.177 -1.43919e+01 -1.39842e+01 0.00000e+00 0.00000e+00 2.47647e+02 224.177 1.01813e+02 224.177 0.9748 
1 1 1 14 3  15 o 9  3.17271e+02 1.39054e+01 1.53060e+02 359.366 1.35904e+01  -1.50411e-01 0.00000e+00 0.00000e+00 1.12268e+02 359.366 4.07922e+01 179.366 0.9625 
1 1 1 14 3  16 o 18 2.39218e+02 1.52472e+01 5.69014e+01 69.159  1.68366e+00  4.42276e+00  0.00000e+00 0.00000e+00 1.28865e+02 69.159  7.19638e+01 69.159  0.8868 
1 1 1 14 3  17 o 17 2.16975e+02 1.97803e+01 9.30178e+01 169.322 -7.70872e+00 1.45350e+00  0.00000e+00 0.00000e+00 8.59110e+01 169.322 7.10679e+00 349.322 0.9339 
1 1 1 14 3  18 o 15 1.10855e+02 2.94226e+01 3.28675e+01 345.621 1.17583e+00  -3.01438e-01 0.00000e+00 0.00000e+00 1.81942e+01 345.621 1.46733e+01 165.621 0.5171 
1 1 1 14 3  19 o 17 1.74657e+02 2.42257e+01 6.82293e+01 277.354 6.91504e-01  -5.35814e+00 0.00000e+00 0.00000e+00 7.34237e+01 277.354 5.19436e+00 277.354 0.9020 
1 1 1 14 3  20 f 0  1.20719e+02 3.98601e+01 5.39605e+01 341.455 2.59286e+00  -8.69833e-01 0.00000e+00 0.00000e+00 3.24554e+01 341.455 2.15051e+01 161.455 0.7883 
1 1 1 14 3  21 o 16 9.70341e+01 2.88453e+01 3.42371e+01 25.622  1.76165e+00  8.44876e-01  0.00000e+00 0.00000e+00 2.71975e+01 25.622  7.03968e+00 205.622 0.6900 
1 1 1 14 3  22 o 14 6.47312e+01 2.76816e+01 5.60858e+01 213.947 -2.03848e+00 -1.37221e+00 0.00000e+00 0.00000e+00 1.04391e+01 33.947  6.65250e+01 33.947  0.7603 
1 1 1 14 3  23 o 17 5.15413e+01 2.39930e+01 2.70956e+01 168.976 -1.22216e+00 2.38086e-01  0.00000e+00 0.00000e+00 1.63657e+00 348.976 2.87321e+01 348.976 0.5265 
1 1 1 14 3  24 o 2  5.07141e+01 2.40597e+01 2.68360e+01 20.820  1.19600e+00  4.54801e-01  0.00000e+00 0.00000e+00 9.96129e-01 200.820 2.78321e+01 200.820 0.5367 
1 1 1 14 3  25 o 13 7.54678e+01 2.94165e+01 3.02707e+01 41.877  1.49778e+00  1.34279e+00  0.00000e+00 0.00000e+00 2.04776e+01 41.877  9.79313e+00 221.877 0.6997 
1 1 1 14 3  26 o 10 4.51377e+01 2.17182e+01 1.69903e+01 94.167  -7.41097e-02 1.01722e+00  0.00000e+00 0.00000e+00 2.93382e+00 94.167  1.40565e+01 274.167 0.4534 
1 1 1 14 3  27 o 1  1.04887e+02 3.08731e+01 2.77603e+01 206.444 -2.76631e+00 -1.37584e+00 0.00000e+00 0.00000e+00 5.67251e+01 206.444 2.89648e+01 206.444 0.8164 
1 1 1 14 3  28 o 8  4.33796e+01 2.11861e+01 1.37285e+01 280.285 2.02333e-01  -1.11498e+00 0.00000e+00 0.00000e+00 7.60568e+00 280.285 6.12285e+00 100.285 0.4916 
1 1 1 14 3  29 o 11 7.77890e+01 3.05358e+01 1.20221e+01 56.057  7.07331e-01  1.05091e+00  0.00000e+00 0.00000e+00 3.00558e+01 56.057  1.80337e+01 56.057  0.5330 
1 1 1 14 4  0  o 7  4.41069e+02 2.70231e+01 1.43903e+02 0.000   3.71355e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.19117e+02 0.000   7.52135e+01 0.000   0.9988 
1 1 1 14 4  1  o 10 5.59903e+02 3.00968e+01 1.92887e+02 165.018 -1.18866e+01 3.18106e+00  0.00000e+00 0.00000e+00 2.49435e+02 165.018 5.65487e+01 165.018 0.9585 
1 1 1 14 4  2  o 16 4.32958e+02 2.65560e+01 1.08584e+02 128.082 -3.32593e+00 4.24450e+00  0.00000e+00 0.00000e+00 2.13457e+02 128.082 1.04873e+02 128.082 0.9018 
1 1 1 14 4  3  o 15 3.22299e+02 1.71726e+01 1.07981e+02 66.399  1.62226e+00  3.71298e+00  0.00000e+00 0.00000e+00 1.22400e+02 66.399  1.44193e+01 66.399  0.8655 
1 1 1 14 4  4  o 3  2.94568e+02 1.68770e+01 5.97672e+01 200.997 -1.90225e+00 -7.30084e-01 0.00000e+00 0.00000e+00 1.11769e+02 200.997 5.20019e+01 200.997 0.7038 
1 1 1 14 4  5  o 15 5.74305e+02 2.12872e+01 1.78202e+02 318.206 1.05440e+01  -9.42540e+00 0.00000e+00 0.00000e+00 2.80875e+02 318.206 1.02674e+02 318.206 0.9640 
1 1 1 14 4  6  o 19 6.98059e+01 2.20330e+01 2.28226e+01 83.032  2.64019e-02  2.16018e-01  0.00000e+00 0.00000e+00 1.65435e+01 263.032 3.93662e+01 263.032 0.1082 
1 1 1 14 4  7  o 5  2.35032e+02 1.43242e+01 1.18551e+02 232.330 -2.74739e+00 -3.55854e+00 0.00000e+00 0.00000e+00 5.40405e+01 232.330 6.45102e+01 52.330  0.8802 
1 1 1 14 4  8  o 16 2.45686e+02 1.76287e+01 7.70723e+01 279.433 5.48854e-01  -3.30359e+00 0.00000e+00 0.00000e+00 9.42729e+01 279.433 1.72006e+01 279.433 0.8328 
1 1 1 14 4  9  o 19 7.94947e+01 2.41459e+01 5.77305e+01 295.755 3.97094e-01  -8.23059e-01 0.00000e+00 0.00000e+00 2.99827e+01 115.756 8.77132e+01 115.756 0.4150 
1 1 1 14 4  10 o 2  1.43263e+02 1.56053e+01 1.05268e+02 124.159 -1.58784e+00 2.34002e+00  0.00000e+00 0.00000e+00 8.84847e+00 304.159 1.14116e+02 304.159 0.7964 
1 1 1 14 4  11 f 0  1.80452e+02 1.59482e+01 4.71809e+01 183.020 -1.80361e+00 -9.51637e-02 0.00000e+00 0.00000e+00 5.44938e+01 183.020 7.31296e+00 183.020 0.6632 
1 1 1 14 4  12 o 2  1.91973e+02 1.42574e+01 7.57264e+01 347.355 3.10656e+00  -6.96969e-01 0.00000e+00 0.00000e+00 5.92306e+01 347.355 1.64958e+01 167.355 0.8227 
1 1 1 14 4  13 o 19 2.41410e+02 1.36829e+01 1.05239e+02 325.922 5.84469e+00  -3.95383e+00 0.00000e+00 0.00000e+00 8.70217e+01 325.922 1.82169e+01 145.922 0.9262 
1 1 1 14 4  14 o 9  3.60759e+02 1.38526e+01 1.34315e+02 42.015  1.05184e+01  9.47590e+00  0.00000e+00 0.00000e+00 1.66781e+02 42.015  3.24660e+01 42.015  0.9640 
1 1 1 14 4  15 o 7  2.36760e+02 1.49567e+01 1.14028e+02 161.152 -7.09921e+00 2.42337e+00  0.00000e+00 0.00000e+00 7.81566e+01 161.152 3.58716e+01 341.152 0.9307 
1 1 1 14 4  16 o 5  5.31634e+02 1.59662e+01 1.78801e+02 221.596 -2.51586e+01 -2.23334e+01 0.00000e+00 0.00000e+00 2.81494e+02 221.596 1.02693e+02 221.596 0.9850 
1 1 1 14 4  17 o 19 1.19577e+02 2.80196e+01 7.92858e+01 25.389  3.10861e+00  1.47534e+00  0.00000e+00 0.00000e+00 9.52404e+00 25.389  6.97617e+01 205.389 0.8380 
1 1 1 14 4  18 o 8  1.07283e+02 2.98020e+01 1.19883e+01 155.842 -3.88525e-01 1.74269e-01  0.00000e+00 0.00000e+00 7.98679e+00 155.842 4.00149e+00 335.842 0.2082 
1 1 1 14 4  19 o 18 1.31381e+02 2.36264e+01 4.95879e+01 241.423 -1.41736e+00 -2.60210e+00 0.00000e+00 0.00000e+00 4.61319e+01 241.423 3.45596e+00 61.423  0.8072 
1 1 1 14 4  20 o 5  1.44199e+02 2.88681e+01 1.38414e+01 356.249 9.74368e-01  -6.38785e-02 0.00000e+00 0.00000e+00 4.37253e+01 356.249 2.98839e+01 356.249 0.4380 
1 1 1 14 4  21 o 9  5.05650e+01 2.35663e+01 4.30673e+01 140.501 -1.06549e+00 8.78302e-01  0.00000e+00 0.00000e+00 1.67441e+01 320.501 5.98114e+01 320.501 0.5653 
1 1 1 14 4  22 o 18 1.55475e+02 2.55724e+01 1.05902e+01 202.007 -1.06864e+00 -4.31904e-01 0.00000e+00 0.00000e+00 6.14733e+01 202.007 5.08831e+01 202.007 0.4979 
1 1 1 14 4  23 o 2  5.57451e+01 2.50932e+01 3.64039e+01 315.077 1.21020e+00  -1.20697e+00 0.00000e+00 0.00000e+00 2.61254e+00 135.077 3.90164e+01 135.077 0.6438 
1 1 1 14 4  24 o 19 7.62731e+01 3.04072e+01 2.41142e+01 157.374 -1.37977e+00 5.75089e-01  0.00000e+00 0.00000e+00 1.91177e+01 157.374 4.99649e+00 337.374 0.5949 
1 1 1 14 4  25 o 6  5.47418e+01 2.51278e+01 6.00011e+00 58.478  1.88965e-01  3.08096e-01  0.00000e+00 0.00000e+00 3.39077e+00 58.478  2.60934e+00 238.478 0.1778 
1 1 1 14 4  26 o 6  1.47809e+02 2.60326e+01 5.11313e+01 323.428 7.10798e+00  -5.27342e+00 0.00000e+00 0.00000e+00 8.48824e+01 323.428 3.37511e+01 323.428 0.9417 
1 1 1 14 4  27 o 6  7.59877e+01 2.95734e+01 3.73800e+01 111.647 -1.28369e+00 3.23454e+00  0.00000e+00 0.00000e+00 2.58362e+01 111.647 1.15438e+01 291.647 0.8401 
1 1 1 14 4  28 o 8  7.96522e+01 3.05850e+01 2.53356e+01 95.673  -2.56821e-01 2.58550e+00  0.00000e+00 0.00000e+00 3.66736e+01 95.673  1.13380e+01 95.673  0.7753 
1 1 1 14 4  29 o 18 7.89012e+01 3.07038e+01 2.73038e+01 249.436 -1.07355e+00 -2.86152e+00 0.00000e+00 0.00000e+00 3.81277e+01 249.436 1.08239e+01 249.436 0.8141 
1 1 1 14 5  0  o 4  6.57454e+02 3.33300e+01 1.94262e+02 180.000 -7.34889e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.50103e+02 180.000 1.55841e+02 180.000 1.0000 
1 1 1 14 5  1  o 9  1.85303e+02 1.77448e+01 9.48545e+01 284.154 4.99907e-01  -1.98223e+00 0.00000e+00 0.00000e+00 1.33273e+01 284.154 8.15273e+01 104.154 0.7049 
1 1 1 14 5  2  o 10 9.69626e+02 4.47588e+01 3.54538e+02 300.231 1.85681e+01  -3.18638e+01 0.00000e+00 0.00000e+00 4.38140e+02 300.231 8.36022e+01 300.231 0.9863 
1 1 1 14 5  3  o 1  7.93729e+01 2.45087e+01 8.54491e+01 88.956  1.70528e-02  9.35825e-01  0.00000e+00 0.00000e+00 5.75702e+01 268.956 1.43019e+02 268.956 0.4232 
1 1 1 14 5  4  o 15 1.50239e+02 1.91141e+01 8.71911e+01 76.619  4.21403e-01  1.77151e+00  0.00000e+00 0.00000e+00 3.99999e+00 256.619 9.11911e+01 256.619 0.6661 
1 1 1 14 5  5  o 2  5.92029e+02 2.17952e+01 2.54483e+02 87.230  9.97807e-01  2.06225e+01  0.00000e+00 0.00000e+00 2.26712e+02 87.230  2.77710e+01 267.230 0.9755 
1 1 1 14 5  6  o 16 3.69201e+02 1.77750e+01 1.56340e+02 154.031 -8.34724e+00 4.06555e+00  0.00000e+00 0.00000e+00 1.35023e+02 154.031 2.13173e+01 334.031 0.9445 
1 1 1 14 5  7  o 9  3.28237e+02 1.77348e+01 1.06048e+02 240.448 -3.05360e+00 -5.38585e+00 0.00000e+00 0.00000e+00 1.45783e+02 240.448 3.97353e+01 240.448 0.9152 
1 1 1 14 5  8  o 4  8.36277e+01 2.26204e+01 3.82906e+01 349.304 5.44788e-01  -1.02898e-01 0.00000e+00 0.00000e+00 1.94966e+01 169.304 5.77872e+01 169.304 0.2671 
1 1 1 14 5  9  o 6  3.89583e+02 1.51818e+01 1.17106e+02 335.270 8.44953e+00  -3.89163e+00 0.00000e+00 0.00000e+00 1.93888e+02 335.270 7.67813e+01 335.270 0.9446 
1 1 1 14 5  10 o 8  1.77108e+02 1.39485e+01 7.65157e+01 227.662 -1.70786e+00 -1.87440e+00 0.00000e+00 0.00000e+00 3.91082e+01 227.662 3.74076e+01 47.662  0.7688 
1 1 1 14 5  11 o 7  3.25963e+02 1.30996e+01 1.33178e+02 121.777 -4.85837e+00 7.84266e+00  0.00000e+00 0.00000e+00 1.29535e+02 121.777 3.64284e+00 301.777 0.9441 
1 1 1 14 5  12 o 11 2.64659e+02 1.60342e+01 7.34853e+01 242.375 -1.95453e+00 -3.73465e+00 0.00000e+00 0.00000e+00 1.24511e+02 242.375 5.10256e+01 242.375 0.8713 
1 1 1 14 5  13 o 4  4.88114e+02 1.46149e+01 1.33184e+02 281.349 3.83896e+00  -1.91264e+01 0.00000e+00 0.00000e+00 2.77609e+02 281.349 1.44425e+02 281.349 0.9740 
1 1 1 14 5  14 o 4  7.36501e+02 2.10333e+01 2.47046e+02 55.930  2.87288e+01  4.24800e+01  0.00000e+00 0.00000e+00 3.87389e+02 55.930  1.40343e+02 55.930  0.9902 
1 1 1 14 5  15 o 14 1.44919e+02 1.84248e+01 5.67824e+01 5.652   2.83276e+00  2.80361e-01  0.00000e+00 0.00000e+00 4.45569e+01 5.652   1.22255e+01 185.652 0.7980 
1 1 1 14 5  16 o 13 4.40780e+02 1.79923e+01 1.30616e+02 225.678 -1.40267e+01 -1.43629e+01 0.00000e+00 0.00000e+00 2.48860e+02 225.678 1.18244e+02 225.678 0.9748 
1 1 1 14 5  17 o 17 5.47324e+01 2.44057e+01 5.07505e+01 175.996 -1.08235e+00 7.57582e-02  0.00000e+00 0.00000e+00 2.75632e+01 355.996 7.83137e+01 355.996 0.4757 
1 1 1 14 5  18 o 8  6.91862e+01 2.60574e+01 2.15034e+01 338.704 5.00171e-01  -1.94971e-01 0.00000e+00 0.00000e+00 5.39166e+00 158.704 2.68951e+01 158.704 0.2592 
1 1 1 14 5  19 o 4  1.33286e+02 2.32169e+01 9.90238e+01 90.550  -6.33102e-02 6.59405e+00  0.00000e+00 0.00000e+00 1.22683e+01 90.550  8.67556e+01 270.550 0.9207 
1 1 1 14 5  20 o 5  1.60486e+02 3.74715e+01 4.04141e+01 16.920  2.86657e+00  8.72035e-01  0.00000e+00 0.00000e+00 7.86002e+01 16.920  3.81861e+01 16.920  0.8097 
1 1 1 14 5  21 o 18 1.65177e+02 3.15782e+01 6.48337e+01 214.533 -5.33303e+00 -3.66988e+00 0.00000e+00 0.00000e+00 7.56593e+01 214.533 1.08256e+01 214.533 0.9191 
1 1 1 14 5  22 o 14 1.01298e+02 2.99576e+01 3.48311e+01 256.703 -5.95591e-01 -2.52009e+00 0.00000e+00 0.00000e+00 3.85515e+01 256.703 3.72037e+00 256.703 0.7744 
1 1 1 14 5  23 o 16 6.94725e+01 2.83304e+01 3.04425e+01 3.492   1.65921e+00  1.01244e-01  0.00000e+00 0.00000e+00 1.12160e+01 3.492   1.92266e+01 183.492 0.6338 
1 1 1 14 5  24 o 17 9.06821e+01 3.15954e+01 1.26560e+01 143.324 -7.43871e-01 5.53984e-01  0.00000e+00 0.00000e+00 2.38187e+01 143.324 1.11627e+01 143.324 0.4201 
1 1 1 14 5  25 o 2  5.20693e+01 2.46141e+01 1.25010e+01 185.559 -7.20884e-01 -7.01573e-02 0.00000e+00 0.00000e+00 4.67497e+00 185.559 7.82598e+00 5.559   0.3403 
1 1 1 14 5  26 o 4  8.06757e+01 3.05041e+01 4.43205e+00 349.777 3.56383e-01  -6.42710e-02 0.00000e+00 0.00000e+00 9.68084e+00 349.777 5.24879e+00 349.777 0.1782 
1 1 1 14 5  27 o 14 9.29116e+01 3.12083e+01 2.39151e+01 358.989 2.55927e+00  -4.51412e-02 0.00000e+00 0.00000e+00 4.73992e+01 358.989 2.34841e+01 358.989 0.7713 
1 1 1 14 5  28 f 0  5.26711e+01 2.46857e+01 1.82909e+01 32.155  1.32697e+00  8.34184e-01  0.00000e+00 0.00000e+00 1.42525e+01 32.155  4.03832e+00 212.155 0.6124 
1 1 1 14 5  29 f 0  7.38508e+01 2.99029e+01 2.13788e+01 176.792 -2.30993e+00 1.29480e-01  0.00000e+00 0.00000e+00 3.47949e+01 176.792 1.34161e+01 176.792 0.7431 
1 1 1 14 6  0  o 15 6.76832e+02 3.38560e+01 3.00970e+02 180.000 -1.40670e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.62735e+02 180.000 3.82351e+01 0.000   1.0000 
1 1 1 14 6  1  f 0  1.52298e+02 1.90969e+01 7.34381e+01 53.562  9.27784e-01  1.25666e+00  0.00000e+00 0.00000e+00 4.09522e+00 53.562  6.93429e+01 233.562 0.6111 
1 1 1 14 6  2  o 16 1.97727e+02 2.44253e+01 1.09286e+02 17.890  2.82622e+00  9.12294e-01  0.00000e+00 0.00000e+00 2.38635e+01 17.890  8.54228e+01 197.890 0.8077 
1 1 1 14 6  3  o 1  5.84996e+02 2.20648e+01 2.31479e+02 223.707 -1.34787e+01 -1.28838e+01 0.00000e+00 0.00000e+00 2.43566e+02 223.707 1.20870e+01 223.707 0.9728 
1 1 1 14 6  4  o 19 2.66526e+02 1.68780e+01 1.13777e+02 330.322 4.28498e+00  -2.44191e+00 0.00000e+00 0.00000e+00 8.49798e+01 330.322 2.87970e+01 150.322 0.8918 
1 1 1 14 6  6  o 7  2.57830e+02 1.72325e+01 1.15728e+02 81.329  8.03394e-01  5.26827e+00  0.00000e+00 0.00000e+00 7.94045e+01 81.329  3.63239e+01 261.329 0.9005 
1 1 1 14 6  7  o 3  7.20224e+02 2.48638e+01 2.14739e+02 355.042 2.65866e+01  -2.30626e+00 0.00000e+00 0.00000e+00 3.81075e+02 355.042 1.66336e+02 355.042 0.9811 
1 1 1 14 6  8  o 13 2.31022e+02 1.50082e+01 1.09173e+02 296.630 2.32013e+00  -4.62709e+00 0.00000e+00 0.00000e+00 6.62876e+01 296.630 4.28852e+01 116.630 0.8973 
1 1 1 14 6  9  o 8  5.28943e+02 1.71061e+01 1.73473e+02 161.203 -1.62489e+01 5.53078e+00  0.00000e+00 0.00000e+00 2.62853e+02 161.203 8.93791e+01 161.203 0.9704 
1 1 1 14 6  10 o 7  1.41639e+02 1.94709e+01 7.70502e+00 323.947 1.85646e-01  -1.35143e-01 0.00000e+00 0.00000e+00 6.09406e+00 323.947 1.61096e+00 143.947 0.1141 
1 1 1 14 6  11 o 12 3.30184e+02 1.32763e+01 1.56287e+02 265.335 -9.25849e-01 -1.13453e+01 0.00000e+00 0.00000e+00 1.14476e+02 265.335 4.18111e+01 85.335  0.9550 
1 1 1 14 6  12 o 8  2.52374e+02 1.36755e+01 9.19933e+01 190.307 -6.38275e+00 -1.16081e+00 0.00000e+00 0.00000e+00 1.08388e+02 190.307 1.63942e+01 190.307 0.9193 
1 1 1 14 6  13 o 19 2.29020e+02 1.42711e+01 5.55797e+01 54.061  2.23117e+00  3.07788e+00  0.00000e+00 0.00000e+00 1.14691e+02 54.061  5.91114e+01 54.061  0.8554 
1 1 1 14 6  14 o 15 1.46770e+02 1.81605e+01 6.77186e+01 196.825 -2.63148e+00 -7.95742e-01 0.00000e+00 0.00000e+00 3.36895e+01 196.825 3.40291e+01 16.825  0.7896 
1 1 1 14 6  15 o 2  1.47885e+02 1.84514e+01 4.85546e+01 25.417  2.23128e+00  1.06029e+00  0.00000e+00 0.00000e+00 5.07440e+01 25.417  2.18937e+00 25.417  0.7617 
1 1 1 14 6  16 o 13 2.12925e+02 1.94632e+01 9.41492e+01 19.699  7.40140e+00  2.64997e+00  0.00000e+00 0.00000e+00 8.25376e+01 19.699  1.16116e+01 199.699 0.9340 
1 1 1 14 6  17 o 4  1.87072e+02 2.40193e+01 1.08287e+02 226.354 -4.90296e+00 -5.14042e+00 0.00000e+00 0.00000e+00 4.70080e+01 226.354 6.12792e+01 46.354  0.9267 
1 1 1 14 6  18 o 15 1.16975e+02 2.45803e+01 6.36924e+01 248.800 -9.79893e-01 -2.52628e+00 0.00000e+00 0.00000e+00 1.94023e+01 248.800 4.42901e+01 68.800  0.7860 
1 1 1 14 6  19 o 9  8.31961e+01 2.76737e+01 7.57064e+01 53.223  1.78464e+00  2.38757e+00  0.00000e+00 0.00000e+00 1.43411e+01 233.223 9.00475e+01 233.223 0.8086 
1 1 1 14 6  20 o 5  6.51961e+01 2.85422e+01 4.97686e+01 111.195 -6.16764e-01 1.59049e+00  0.00000e+00 0.00000e+00 1.11447e+01 291.195 6.09133e+01 291.195 0.6431 
1 1 1 14 6  21 o 6  1.62962e+02 4.66802e+01 2.75804e+01 130.900 -1.33120e+00 1.53680e+00  0.00000e+00 0.00000e+00 7.90803e+01 130.900 5.14999e+01 130.900 0.7032 
1 1 1 14 6  22 o 11 8.22943e+01 2.97030e+01 3.74055e+01 333.979 2.20189e+00  -1.07495e+00 0.00000e+00 0.00000e+00 2.14061e+01 333.979 1.59994e+01 153.978 0.7595 
1 1 1 14 6  23 o 10 1.48353e+02 3.03944e+01 5.67561e+01 228.255 -4.41176e+00 -4.94385e+00 0.00000e+00 0.00000e+00 7.32946e+01 228.255 1.65386e+01 228.255 0.9211 
1 1 1 14 6  24 o 16 6.53466e+01 2.76871e+01 1.07565e+01 80.836  9.90595e-02  6.14031e-01  0.00000e+00 0.00000e+00 7.92549e+00 80.836  2.83102e+00 260.836 0.2969 
1 1 1 14 6  25 o 4  6.49871e+01 2.83214e+01 1.40900e+01 330.768 9.02722e-01  -5.05182e-01 0.00000e+00 0.00000e+00 1.49608e+01 330.768 8.70705e-01 330.768 0.4585 
1 1 1 14 6  26 o 18 4.82036e+01 2.30019e+01 1.79611e+01 208.646 -9.58734e-01 -5.23709e-01 0.00000e+00 0.00000e+00 4.80484e+00 208.646 1.31563e+01 28.646  0.4782 
1 1 1 14 6  27 o 5  6.08622e+01 2.68024e+01 2.37691e+01 91.413  -4.70287e-02 1.90672e+00  0.00000e+00 0.00000e+00 1.77751e+01 91.413  5.99402e+00 271.413 0.6819 
1 1 1 14 6  28 o 7  5.86530e+01 2.66168e+01 1.56707e+01 298.806 6.86123e-01  -1.24776e+00 0.00000e+00 0.00000e+00 1.86633e+01 298.806 2.99258e+00 298.806 0.5768 
1 1 1 14 6  29 o 7  4.89222e+01 2.34578e+01 1.63410e+01 326.175 1.31107e+00  -8.78513e-01 0.00000e+00 0.00000e+00 1.46310e+01 326.175 1.71002e+00 146.175 0.6149 
1 1 1 14 7  0  o 18 1.67753e+02 2.86918e+01 1.69140e+01 180.000 -1.95754e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.02795e+01 180.000 6.63450e+00 0.000   0.1933 
1 1 1 14 7  2  o 14 4.84932e+01 2.12446e+01 6.78609e+01 70.667  1.75268e-01  4.99569e-01  0.00000e+00 0.00000e+00 5.74452e+01 250.667 1.25306e+02 250.667 0.2559 
1 1 1 14 7  3  o 16 3.72931e+02 2.51017e+01 1.08306e+02 84.187  6.47503e-01  6.36036e+00  0.00000e+00 0.00000e+00 1.79480e+02 84.187  7.11736e+01 84.187  0.9181 
1 1 1 14 7  4  o 5  2.21790e+02 1.72115e+01 1.04411e+02 304.972 2.13584e+00  -3.05343e+00 0.00000e+00 0.00000e+00 5.47252e+01 304.972 4.96862e+01 124.972 0.8521 
1 1 1 14 7  5  o 9  2.09857e+02 1.47985e+01 1.04111e+02 270.990 6.77735e-02  -3.92338e+00 0.00000e+00 0.00000e+00 4.82981e+01 270.990 5.58132e+01 90.990  0.8605 
1 1 1 14 7  6  o 3  6.16052e+02 2.24296e+01 2.09317e+02 182.256 -2.24503e+01 -8.84281e-01 0.00000e+00 0.00000e+00 3.00310e+02 182.256 9.09930e+01 182.256 0.9775 
1 1 1 14 7  7  o 12 5.44272e+01 2.22768e+01 2.74142e+01 40.976  2.26532e-01  1.96755e-01  0.00000e+00 0.00000e+00 2.05580e+01 220.976 4.79721e+01 220.976 0.1484 
1 1 1 14 7  8  o 3  1.99621e+02 1.58463e+01 7.63998e+01 293.500 1.14662e+00  -2.63707e+00 0.00000e+00 0.00000e+00 5.97687e+01 293.500 1.66311e+01 113.500 0.8003 
1 1 1 14 7  9  o 14 3.97641e+02 1.55212e+01 1.13164e+02 167.092 -9.40168e+00 2.15463e+00  0.00000e+00 0.00000e+00 2.09042e+02 167.092 9.58783e+01 167.092 0.9466 
1 1 1 14 7  10 o 1  1.43677e+02 1.97138e+01 9.81518e+01 88.725  6.83539e-02  3.07098e+00  0.00000e+00 0.00000e+00 2.57827e+00 88.725  9.55735e+01 268.725 0.8152 
1 1 1 14 7  11 o 4  7.54754e+01 2.37262e+01 4.54258e+01 5.044   9.20469e-01  8.12383e-02  0.00000e+00 0.00000e+00 1.80934e+01 185.044 6.35193e+01 185.044 0.4188 
1 1 1 14 7  12 o 9  1.00553e+02 2.23916e+01 5.66910e+01 62.050  7.75499e-01  1.46155e+00  0.00000e+00 0.00000e+00 1.41720e+00 242.050 5.81082e+01 242.050 0.6321 
1 1 1 14 7  13 o 8  3.06999e+02 1.37146e+01 1.49228e+02 86.780  7.52547e-01  1.33751e+01  0.00000e+00 0.00000e+00 1.09216e+02 86.780  4.00120e+01 266.780 0.9619 
1 1 1 14 7  14 o 17 2.72913e+02 1.41790e+01 1.28759e+02 241.922 -5.88100e+00 -1.10245e+01 0.00000e+00 0.00000e+00 1.01883e+02 241.922 2.68765e+01 61.922  0.9591 
1 1 1 14 7  15 o 16 2.24039e+02 1.58081e+01 1.27034e+02 214.567 -8.32728e+00 -5.73755e+00 0.00000e+00 0.00000e+00 6.17211e+01 214.567 6.53133e+01 34.567  0.9492 
1 1 1 14 7  16 o 5  6.80840e+01 2.69524e+01 4.71052e+01 127.620 -7.53120e-01 9.77235e-01  0.00000e+00 0.00000e+00 1.52441e+01 307.620 6.23493e+01 307.620 0.5231 
1 1 1 14 7  17 o 4  1.31275e+02 2.70332e+01 6.57214e+01 323.107 2.34988e+00  -1.76391e+00 0.00000e+00 0.00000e+00 2.96420e+01 323.107 3.60794e+01 143.107 0.8053 
1 1 1 14 7  18 o 4  1.31888e+02 2.36799e+01 7.11219e+01 29.921  3.71663e+00  2.13894e+00  0.00000e+00 0.00000e+00 3.37505e+01 29.921  3.73713e+01 209.921 0.8738 
1 1 1 14 7  19 f 0  5.65086e+01 2.44612e+01 1.51300e+01 12.011  4.34425e-01  9.24296e-02  0.00000e+00 0.00000e+00 3.87785e+00 192.011 1.90079e+01 192.011 0.2168 
1 1 1 14 7  20 o 4  1.26257e+02 2.78755e+01 7.06473e+01 245.035 -2.25511e+00 -4.84372e+00 0.00000e+00 0.00000e+00 3.48545e+01 245.035 3.57928e+01 65.035  0.9008 
1 1 1 14 7  21 o 17 7.47490e+01 3.12755e+01 2.03797e+01 123.307 -5.32434e-01 8.10328e-01  0.00000e+00 0.00000e+00 1.01334e+01 123.307 1.02463e+01 303.307 0.4355 
1 1 1 14 7  22 o 5  7.98813e+01 2.95935e+01 6.35396e+01 65.068  1.69996e+00  3.65683e+00  0.00000e+00 0.00000e+00 1.91391e+00 65.068  6.16257e+01 245.068 0.8648 
1 1 1 14 7  23 o 15 8.76708e+01 2.98386e+01 4.08345e+01 171.838 -2.93455e+00 4.20873e-01  0.00000e+00 0.00000e+00 2.69959e+01 171.838 1.38386e+01 351.838 0.8073 
1 1 1 14 7  24 o 8  5.97480e+01 2.64308e+01 3.22291e-01 136.118 -1.32074e-02 1.27019e-02  0.00000e+00 0.00000e+00 2.08549e-01 136.118 1.13742e-01 316.118 0.0092 
1 1 1 14 7  25 o 8  1.37610e+02 2.89762e+01 3.25144e+01 324.304 3.91297e+00  -2.81132e+00 0.00000e+00 0.00000e+00 8.75948e+01 324.304 5.50804e+01 324.304 0.8890 
1 1 1 14 7  26 o 9  9.15182e+01 3.42110e+01 1.49728e+01 215.465 -1.06425e+00 -7.58140e-01 0.00000e+00 0.00000e+00 3.45938e+01 215.465 1.96210e+01 215.465 0.5446 
1 1 1 14 7  27 o 4  5.62181e+01 2.57864e+01 1.79438e+01 120.750 -8.15485e-01 1.37071e+00  0.00000e+00 0.00000e+00 1.71159e+01 120.750 8.27836e-01 300.750 0.6187 
1 1 1 14 7  28 o 4  5.66979e+01 2.59736e+01 1.00802e+01 202.751 -8.69003e-01 -3.64414e-01 0.00000e+00 0.00000e+00 1.45796e+01 202.751 4.49945e+00 202.751 0.4256 
1 1 1 14 8  0  o 1  7.64004e+01 3.64054e+01 4.27494e+01 0.000   2.56985e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.65073e+01 180.000 6.92566e+01 180.000 0.2515 
1 1 1 14 8  1  o 6  2.07648e+02 1.73984e+01 4.93951e+01 290.679 5.83462e-01  -1.54582e+00 0.00000e+00 0.00000e+00 6.15025e+01 290.679 1.21074e+01 290.679 0.6316 
1 1 1 14 8  3  o 12 1.65935e+02 2.65014e+01 2.99510e+01 323.746 6.95892e-01  -5.10330e-01 0.00000e+00 0.00000e+00 2.56883e+01 323.746 4.26271e+00 143.746 0.3957 
1 1 1 14 8  4  o 16 5.21532e+02 2.04729e+01 1.16552e+02 69.183  3.80868e+00  1.00175e+01  0.00000e+00 0.00000e+00 3.04939e+02 69.183  1.88387e+02 69.183  0.9521 
1 1 1 14 8  5  o 4  4.16159e+02 1.86583e+01 1.52950e+02 109.929 -4.45790e+00 1.22955e+01  0.00000e+00 0.00000e+00 1.87274e+02 109.929 3.43233e+01 109.929 0.9610 
1 1 1 14 8  6  o 13 4.36407e+02 1.91497e+01 2.07593e+02 279.920 3.17367e+00  -1.81466e+01 0.00000e+00 0.00000e+00 1.54454e+02 279.920 5.31385e+01 99.920  0.9725 
1 1 1 14 8  7  o 3  3.11535e+02 1.81103e+01 6.73549e+01 212.190 -3.33327e+00 -2.09824e+00 0.00000e+00 0.00000e+00 1.62257e+02 212.190 9.49016e+01 212.190 0.8611 
1 1 1 14 8  8  o 17 3.29566e+02 1.51406e+01 1.84647e+02 109.815 -4.44104e+00 1.23250e+01  0.00000e+00 0.00000e+00 8.74663e+01 109.815 9.71807e+01 289.815 0.9610 
1 1 1 14 8  9  o 4  3.10921e+02 1.51759e+01 1.30004e+02 301.739 4.72376e+00  -7.63668e+00 0.00000e+00 0.00000e+00 1.22857e+02 301.739 7.14648e+00 121.739 0.9426 
1 1 1 14 8  10 o 11 1.95403e+02 1.65214e+01 1.13468e+02 276.641 7.19589e-01  -6.18035e+00 0.00000e+00 0.00000e+00 4.16571e+01 276.641 7.18109e+01 96.641  0.9157 
1 1 1 14 8  11 o 12 9.36085e+01 2.67148e+01 5.87410e+01 83.487  1.77488e-01  1.55478e+00  0.00000e+00 0.00000e+00 8.82862e+00 263.487 6.75696e+01 263.487 0.6118 
1 1 1 14 8  12 o 4  2.22293e+02 1.44421e+01 8.95972e+01 54.191  3.42764e+00  4.75106e+00  0.00000e+00 0.00000e+00 8.77572e+01 54.191  1.83995e+00 234.191 0.9101 
1 1 1 14 8  13 o 5  1.64707e+02 1.68017e+01 4.06062e+01 105.584 -5.01345e-01 1.79761e+00  0.00000e+00 0.00000e+00 5.74056e+01 105.584 1.67994e+01 105.584 0.6745 
1 1 1 14 8  14 o 11 3.34834e+02 1.42106e+01 9.05357e+01 4.068   1.06730e+01  7.59011e-01  0.00000e+00 0.00000e+00 1.92612e+02 4.068   1.02076e+02 4.068   0.9521 
1 1 1 14 8  15 o 11 3.74047e+02 1.65060e+01 1.01192e+02 214.769 -1.24909e+01 -8.67135e+00 0.00000e+00 0.00000e+00 2.22284e+02 214.769 1.21091e+02 214.769 0.9665 
1 1 1 14 8  16 o 18 2.99204e+02 2.45901e+01 1.43490e+02 198.735 -1.58737e+01 -5.38379e+00 0.00000e+00 0.00000e+00 1.18144e+02 198.735 2.53466e+01 18.735  0.9697 
1 1 1 14 8  17 o 12 1.36198e+02 2.31087e+01 6.37127e+01 29.009  2.81177e+00  1.55915e+00  0.00000e+00 0.00000e+00 3.84232e+01 29.009  2.52895e+01 209.009 0.8247 
1 1 1 14 8  18 f 0  1.64731e+02 2.03855e+01 4.50777e+01 49.121  2.50747e+00  2.89682e+00  0.00000e+00 0.00000e+00 8.43861e+01 49.121  3.93084e+01 49.121  0.8567 
1 1 1 14 8  19 f 0  1.88782e+02 3.32703e+01 2.83489e+01 187.269 -2.62276e+00 -3.34534e-01 0.00000e+00 0.00000e+00 1.07962e+02 187.269 7.96131e+01 187.269 0.7798 
1 1 1 14 8  20 o 18 1.15268e+02 3.51257e+01 6.96806e+00 56.074  2.54625e-01  3.78543e-01  0.00000e+00 0.00000e+00 1.70008e+01 56.074  1.00328e+01 56.074  0.2224 
1 1 1 14 8  21 o 16 7.52553e+01 3.08494e+01 4.09856e+01 330.618 1.94161e+00  -1.09322e+00 0.00000e+00 0.00000e+00 1.10555e+01 330.618 2.99301e+01 150.618 0.7319 
1 1 1 14 8  22 o 9  1.16092e+02 3.29203e+01 5.36333e+01 256.811 -1.01352e+00 -4.32478e+00 0.00000e+00 0.00000e+00 4.37882e+01 256.811 9.84503e+00 76.811  0.8786 
1 1 1 14 8  23 o 13 1.35452e+02 3.64484e+01 5.80067e+01 79.248  1.02872e+00  5.41748e+00  0.00000e+00 0.00000e+00 6.02935e+01 79.248  2.28678e+00 79.248  0.9041 
1 1 1 14 8  24 o 8  8.49845e+01 2.99735e+01 3.50886e+01 118.347 -1.36450e+00 2.52922e+00  0.00000e+00 0.00000e+00 3.13896e+01 118.347 3.69902e+00 298.346 0.8002 
1 1 1 14 8  25 o 2  1.43013e+02 2.97691e+01 4.26671e+01 255.094 -1.64186e+00 -6.16800e+00 0.00000e+00 0.00000e+00 8.72557e+01 255.094 4.45885e+01 255.094 0.9179 
1 1 1 14 8  26 f 0  8.73283e+01 3.23904e+01 5.38391e+01 33.902  4.31267e+00  2.89816e+00  0.00000e+00 0.00000e+00 2.47558e+01 33.902  2.90834e+01 213.901 0.8977 
1 1 1 14 8  27 o 8  8.55164e+01 3.10558e+01 2.30569e+01 193.190 -2.41948e+00 -5.67060e-01 0.00000e+00 0.00000e+00 4.32674e+01 193.190 2.02105e+01 193.190 0.7634 
1 1 1 14 8  28 o 6  6.08945e+01 2.70407e+01 1.48377e+01 215.267 -1.23231e+00 -8.71448e-01 0.00000e+00 0.00000e+00 2.27033e+01 215.267 7.86553e+00 215.267 0.5984 
1 1 1 14 9  0  o 14 4.76589e+02 2.78597e+01 1.62673e+02 0.000   6.85698e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.43895e+02 0.000   8.12220e+01 0.000   1.0000 
1 1 1 14 9  1  o 19 7.47209e+01 2.46636e+01 4.88374e+01 305.489 3.68325e-01  -5.16577e-01 0.00000e+00 0.00000e+00 2.95655e+01 125.489 7.84029e+01 125.489 0.3023 
1 1 1 14 9  3  o 4  1.54375e+02 2.76003e+01 4.71344e+01 357.753 1.44295e+00  -5.66089e-02 0.00000e+00 0.00000e+00 2.96860e+01 357.753 1.74485e+01 177.753 0.5820 
1 1 1 14 9  4  o 19 1.69243e+02 1.88525e+01 2.10730e+01 332.720 6.47905e-01  -3.34128e-01 0.00000e+00 0.00000e+00 2.85397e+01 332.720 7.46671e+00 332.720 0.3422 
1 1 1 14 9  5  o 6  5.51385e+02 2.13883e+01 2.14422e+02 122.239 -1.18019e+01 1.87125e+01  0.00000e+00 0.00000e+00 2.48105e+02 122.239 3.36837e+01 122.239 0.9771 
1 1 1 14 9  6  o 8  2.30518e+02 1.51948e+01 6.33199e+01 285.836 7.52663e-01  -2.65352e+00 0.00000e+00 0.00000e+00 9.35283e+01 285.836 3.02083e+01 285.836 0.7904 
1 1 1 14 9  7  o 14 2.65408e+02 1.52707e+01 1.54848e+02 257.857 -1.86134e+00 -8.65069e+00 0.00000e+00 0.00000e+00 6.10120e+01 257.857 9.38361e+01 77.857  0.9417 
1 1 1 14 9  8  o 4  4.84087e+02 2.01254e+01 1.50531e+02 160.749 -1.50604e+01 5.25947e+00  0.00000e+00 0.00000e+00 2.55780e+02 160.749 1.05249e+02 160.749 0.9681 
1 1 1 14 9  9  o 3  1.30923e+02 2.06588e+01 1.32246e+02 44.140  3.43412e+00  3.33257e+00  0.00000e+00 0.00000e+00 3.10027e+01 224.140 1.63249e+02 224.140 0.8882 
1 1 1 14 9  10 o 15 2.46425e+02 1.57152e+01 1.01038e+02 1.064   7.55634e+00  1.40290e-01  0.00000e+00 0.00000e+00 9.97350e+01 1.064   1.30344e+00 181.064 0.9313 
1 1 1 14 9  11 o 18 1.52207e+02 2.00119e+01 7.45861e+01 187.582 -3.24942e+00 -4.32517e-01 0.00000e+00 0.00000e+00 3.63391e+01 187.582 3.82471e+01 7.582   0.8286 
1 1 1 14 9  12 o 10 1.62574e+02 1.71170e+01 5.57009e+01 191.356 -2.49211e+00 -5.00485e-01 0.00000e+00 0.00000e+00 5.49633e+01 191.356 7.37626e-01 11.356  0.7695 
1 1 1 14 9  13 o 3  1.24722e+02 2.10069e+01 8.42879e+01 218.171 -2.83427e+00 -2.22800e+00 0.00000e+00 0.00000e+00 9.69016e+00 218.171 7.45977e+01 38.171  0.8464 
1 1 1 14 9  14 o 11 1.44330e+02 1.94320e+01 3.07410e+01 98.667  -2.33413e-01 1.53117e+00  0.00000e+00 0.00000e+00 4.79099e+01 98.667  1.71689e+01 98.667  0.6080 
1 1 1 14 9  15 f 0  1.22724e+02 2.64903e+01 6.53246e+01 27.226  2.76161e+00  1.42089e+00  0.00000e+00 0.00000e+00 2.52600e+01 27.226  4.00646e+01 207.226 0.8175 
1 1 1 14 9  16 o 11 8.72309e+01 2.90991e+01 5.93452e+01 56.541  9.58633e-01  1.45061e+00  0.00000e+00 0.00000e+00 7.76098e+00 236.541 6.71062e+01 236.541 0.6499 
1 1 1 14 9  17 o 9  8.29641e+01 2.77414e+01 3.63947e+01 180.373 -1.32880e+00 -8.65879e-03 0.00000e+00 0.00000e+00 5.54173e+00 180.373 3.08530e+01 0.373   0.5509 
1 1 1 14 9  18 o 16 2.13739e+02 1.81517e+01 8.03003e+01 214.458 -7.90693e+00 -5.42583e+00 0.00000e+00 0.00000e+00 1.06940e+02 214.458 2.66401e+01 214.458 0.9463 
1 1 1 14 9  19 o 8  8.20274e+01 2.85210e+01 3.36020e+01 4.631   1.63758e+00  1.32644e-01  0.00000e+00 0.00000e+00 1.46490e+01 4.631   1.89530e+01 184.631 0.6295 
1 1 1 14 9  20 o 15 1.60621e+02 2.47620e+01 6.19518e+01 36.813  5.72548e+00  4.28520e+00  0.00000e+00 0.00000e+00 7.85778e+01 36.813  1.66260e+01 36.813  0.9272 
1 1 1 14 9  21 f 0  8.51065e+01 3.25484e+01 5.59361e+01 143.509 -2.85586e+00 2.11250e+00  0.00000e+00 0.00000e+00 1.25315e+01 143.509 4.34046e+01 323.509 0.8438 
1 1 1 14 9  22 o 8  1.13640e+02 3.38805e+01 6.79989e+01 257.457 -1.21830e+00 -5.47606e+00 0.00000e+00 0.00000e+00 3.12170e+01 257.457 3.67819e+01 77.457  0.9058 
1 1 1 14 9  23 o 7  9.79197e+01 2.92495e+01 1.40414e+01 313.437 8.07268e-01  -8.52549e-01 0.00000e+00 0.00000e+00 3.41334e+01 313.437 2.00920e+01 313.437 0.5047 
1 1 1 14 9  24 o 13 5.68851e+01 2.52521e+01 1.22716e+01 33.183  7.26893e-01  4.75360e-01  0.00000e+00 0.00000e+00 1.00548e+01 33.183  2.21685e+00 213.183 0.3979 
1 1 1 14 9  25 o 16 7.39818e+01 2.91421e+01 3.02157e+01 163.905 -2.26155e+00 6.52558e-01  0.00000e+00 0.00000e+00 2.50599e+01 163.905 5.15583e+00 343.905 0.7481 
1 1 1 14 9  26 o 12 1.22771e+02 3.47724e+01 4.02193e+01 90.850  -7.27906e-02 4.90737e+00  0.00000e+00 0.00000e+00 7.04678e+01 90.850  3.02485e+01 90.850  0.8912 
1 1 1 14 9  27 o 18 9.32730e+01 3.17124e+01 3.81135e+01 325.260 3.66003e+00  -2.53811e+00 0.00000e+00 0.00000e+00 4.59402e+01 325.260 7.82675e+00 325.260 0.8790 
1 1 1 14 9  28 o 7  6.15664e+01 2.74126e+01 2.31993e+01 155.596 -2.12821e+00 9.65561e-01  0.00000e+00 0.00000e+00 2.45493e+01 155.596 1.35006e+00 155.596 0.7460 
1 1 1 14 10 0  o 14 5.35854e+01 3.16071e+01 7.33991e+01 180.000 -3.69201e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.70847e+01 0.000   1.30484e+02 0.000   0.3533 
1 1 1 14 10 1  o 5  7.78274e+01 2.48942e+01 9.46622e+01 49.144  8.95385e-01  1.03527e+00  0.00000e+00 0.00000e+00 5.69615e+01 229.144 1.51624e+02 229.144 0.5620 
1 1 1 14 10 2  o 4  5.41898e+01 2.26542e+01 2.61451e+01 337.579 2.44848e-01  -1.01025e-01 0.00000e+00 0.00000e+00 2.00079e+01 157.579 4.61530e+01 157.579 0.1313 
1 1 1 14 10 3  o 4  1.25244e+02 2.30004e+01 7.56717e+01 194.293 -1.70819e+00 -4.35194e-01 0.00000e+00 0.00000e+00 4.84784e+00 14.293  8.05196e+01 14.293  0.6547 
1 1 1 14 10 5  o 8  1.23785e+02 2.08873e+01 7.74436e+01 316.720 1.48337e+00  -1.39690e+00 0.00000e+00 0.00000e+00 1.88595e+00 136.720 7.93295e+01 136.720 0.7039 
1 1 1 14 10 6  o 7  3.30138e+02 1.83115e+01 1.02511e+02 91.459  -1.83357e-01 7.19925e+00  0.00000e+00 0.00000e+00 1.63835e+02 91.459  6.13240e+01 91.459  0.9277 
1 1 1 14 10 7  o 1  2.73212e+02 1.98154e+01 1.21146e+02 111.115 -2.61146e+00 6.76240e+00  0.00000e+00 0.00000e+00 1.00115e+02 111.115 2.10315e+01 291.115 0.9282 
1 1 1 14 10 8  o 11 4.74006e+02 1.65154e+01 1.55628e+02 259.205 -3.89413e+00 -2.04230e+01 0.00000e+00 0.00000e+00 2.49392e+02 259.205 9.37645e+01 259.205 0.9756 
1 1 1 14 10 9  o 15 3.72366e+02 1.85439e+01 1.28362e+02 242.182 -6.69943e+00 -1.26971e+01 0.00000e+00 0.00000e+00 1.87533e+02 242.182 5.91708e+01 242.182 0.9645 
1 1 1 14 10 10 o 2  1.18316e+02 2.30858e+01 7.34847e+01 89.123  3.78986e-02  2.47717e+00  0.00000e+00 0.00000e+00 6.24834e+00 89.123  6.72363e+01 269.123 0.7625 
1 1 1 14 10 11 o 11 1.39505e+02 2.12297e+01 2.45352e+01 47.254  6.42682e-01  6.95337e-01  0.00000e+00 0.00000e+00 2.84195e+01 47.254  3.88435e+00 47.254  0.4272 
1 1 1 14 10 12 o 6  2.60709e+02 1.68368e+01 8.81619e+01 58.528  4.24255e+00  6.93083e+00  0.00000e+00 0.00000e+00 1.29972e+02 58.528  4.18103e+01 58.528  0.9363 
1 1 1 14 10 13 o 2  1.83719e+02 1.61777e+01 5.58613e+01 7.591   3.64306e+00  4.85477e-01  0.00000e+00 0.00000e+00 8.45328e+01 7.591   2.86715e+01 7.591   0.8498 
1 1 1 14 10 14 o 14 2.46946e+02 1.73903e+01 8.28237e+01 218.756 -6.69636e+00 -5.37549e+00 0.00000e+00 0.00000e+00 1.27316e+02 218.756 4.44922e+01 218.756 0.9398 
1 1 1 14 10 15 o 5  2.42903e+02 1.82456e+01 9.69865e+01 144.942 -7.09229e+00 4.97687e+00  0.00000e+00 0.00000e+00 1.11353e+02 144.942 1.43666e+01 144.942 0.9404 
1 1 1 14 10 16 o 4  1.33064e+02 2.72426e+01 4.96542e+01 21.465  2.74452e+00  1.07917e+00  0.00000e+00 0.00000e+00 4.89515e+01 21.465  7.02659e-01 201.465 0.8061 
1 1 1 14 10 17 f 0  1.75378e+02 1.97642e+01 2.91174e+01 303.466 1.46738e+00  -2.21982e+00 0.00000e+00 0.00000e+00 9.79123e+01 303.466 6.87949e+01 303.466 0.7814 
1 1 1 14 10 18 o 5  1.60811e+02 2.96730e+01 5.60268e+01 194.818 -4.55222e+00 -1.20432e+00 0.00000e+00 0.00000e+00 7.72340e+01 194.818 2.12073e+01 194.818 0.8862 
1 1 1 14 10 19 o 18 7.89835e+01 2.95581e+01 3.84076e+01 6.488   1.89921e+00  2.15998e-01  0.00000e+00 0.00000e+00 1.24883e+01 6.488   2.59193e+01 186.488 0.6827 
1 1 1 14 10 20 o 19 1.24653e+02 3.80800e+01 5.46474e+01 358.907 4.20978e+00  -8.03291e-02 0.00000e+00 0.00000e+00 4.88663e+01 358.907 5.78112e+00 178.907 0.8712 
1 1 1 14 10 21 f 0  7.76102e+01 2.91157e+01 2.76228e+01 195.045 -1.61218e+00 -4.33344e-01 0.00000e+00 0.00000e+00 1.98660e+01 195.045 7.75681e+00 15.045  0.6353 
1 1 1 14 10 22 f 0  6.68368e+01 2.93595e+01 4.73376e+01 102.400 -5.68522e-01 2.58587e+00  0.00000e+00 0.00000e+00 3.43017e+00 102.400 4.39074e+01 282.400 0.7801 
1 1 1 14 10 23 o 15 6.33452e+01 2.70140e+01 3.24537e+01 171.757 -2.13826e+00 3.09749e-01  0.00000e+00 0.00000e+00 1.26127e+01 171.757 1.98410e+01 351.757 0.7225 
1 1 1 14 10 24 o 13 4.68698e+01 2.23235e+01 2.66910e+01 328.437 1.40252e+00  -8.61575e-01 0.00000e+00 0.00000e+00 2.74328e+00 328.437 2.39477e+01 148.437 0.6302 
1 1 1 14 10 25 o 16 1.22108e+02 2.91229e+01 5.04671e+01 16.243  7.37298e+00  2.14805e+00  0.00000e+00 0.00000e+00 6.43998e+01 16.243  1.39326e+01 16.243  0.9324 
1 1 1 14 10 26 o 19 1.33803e+02 3.31220e+01 4.15260e+01 187.636 -6.44282e+00 -8.63748e-01 0.00000e+00 0.00000e+00 8.42046e+01 187.636 4.26785e+01 187.636 0.9195 
1 1 1 14 10 27 o 2  5.91123e+01 2.66675e+01 1.22987e+01 232.509 -7.05622e-01 -9.19895e-01 0.00000e+00 0.00000e+00 1.83130e+01 232.509 6.01421e+00 232.509 0.5000 
1 1 1 14 11 0  f 0  2.97818e+02 2.46494e+01 1.27691e+02 0.000   4.11365e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.31710e+02 0.000   4.01906e+00 0.000   0.9995 
1 1 1 14 11 1  o 16 5.62943e+01 2.25000e+01 2.87335e+01 303.475 1.89263e-01  -2.86221e-01 0.00000e+00 0.00000e+00 2.04360e+01 123.475 4.91695e+01 123.475 0.1691 
1 1 1 14 11 3  o 6  1.08643e+02 2.49584e+01 7.45660e+01 355.588 1.68523e+00  -1.30026e-01 0.00000e+00 0.00000e+00 1.38558e+01 175.588 8.84218e+01 175.588 0.6398 
1 1 1 14 11 5  o 7  4.01212e+02 1.89620e+01 9.99279e+01 215.810 -7.17646e+00 -5.17772e+00 0.00000e+00 0.00000e+00 2.31407e+02 215.810 1.31479e+02 215.810 0.9417 
1 1 1 14 11 6  o 12 8.58971e+01 2.50722e+01 4.23307e+01 265.705 -7.40300e-02 -9.85749e-01 0.00000e+00 0.00000e+00 8.91886e+00 85.705  5.12496e+01 85.705  0.4423 
1 1 1 14 11 7  o 4  4.29829e+02 1.60146e+01 1.26455e+02 111.407 -5.59338e+00 1.42676e+01  0.00000e+00 0.00000e+00 2.40195e+02 111.407 1.13740e+02 111.407 0.9668 
1 1 1 14 11 8  o 12 5.75178e+01 2.33044e+01 9.40371e+01 75.330  4.00711e-01  1.53070e+00  0.00000e+00 0.00000e+00 6.26665e+01 255.330 1.56704e+02 255.330 0.6158 
1 1 1 14 11 9  o 18 1.21549e+02 2.24584e+01 3.20023e+01 296.932 5.04397e-01  -9.92836e-01 0.00000e+00 0.00000e+00 2.04540e+01 296.932 1.15483e+01 116.932 0.4852 
1 1 1 14 11 10 o 11 1.87345e+02 1.72983e+01 8.26993e+01 156.544 -4.01711e+00 1.74306e+00  0.00000e+00 0.00000e+00 6.40852e+01 156.544 1.86141e+01 336.544 0.8767 
1 1 1 14 11 11 o 6  6.10250e+01 2.46699e+01 1.90310e+01 194.117 -3.80058e-01 -9.55861e-02 0.00000e+00 0.00000e+00 8.48849e+00 14.117  2.75195e+01 14.117  0.1923 
1 1 1 14 11 12 o 1  2.01057e+02 1.84054e+01 8.15812e+01 231.038 -3.66669e+00 -4.53413e+00 0.00000e+00 0.00000e+00 8.36981e+01 231.038 2.11684e+00 231.038 0.9097 
1 1 1 14 11 13 f 0  2.17204e+02 1.56932e+01 4.07700e+01 76.354  8.49263e-01  3.49802e+00  0.00000e+00 0.00000e+00 1.26368e+02 76.354  8.55977e+01 76.354  0.8461 
1 1 1 14 11 14 o 4  2.25494e+02 1.59215e+01 1.27204e+02 22.913  9.91988e+00  4.19306e+00  0.00000e+00 0.00000e+00 6.94321e+01 22.913  5.77720e+01 202.913 0.9524 
1 1 1 14 11 15 o 15 1.19895e+02 2.64760e+01 3.12923e+00 200.629 -1.27780e-01 -4.81041e-02 0.00000e+00 0.00000e+00 4.40258e+00 200.629 1.27334e+00 200.629 0.0681 
1 1 1 14 11 16 o 7  1.59250e+02 2.10332e+01 6.18413e+01 169.128 -5.01857e+00 9.63866e-01  0.00000e+00 0.00000e+00 7.07814e+01 169.128 8.94016e+00 169.128 0.8959 
1 1 1 14 11 17 o 2  8.25224e+01 2.81839e+01 2.70869e+00 153.586 -1.07710e-01 5.35007e-02  0.00000e+00 0.00000e+00 1.93435e+00 153.586 7.74342e-01 333.586 0.0600 
1 1 1 14 11 18 o 1  1.65136e+02 2.18711e+01 5.57682e+01 335.794 5.53833e+00  -2.48968e+00 0.00000e+00 0.00000e+00 8.68819e+01 335.794 3.11137e+01 335.794 0.9135 
1 1 1 14 11 19 o 9  1.39216e+02 2.79058e+01 4.46835e+01 175.791 -4.23039e+00 3.11302e-01  0.00000e+00 0.00000e+00 7.12218e+01 175.791 2.65384e+01 175.791 0.8722 
1 1 1 14 11 20 o 13 1.25269e+02 2.78684e+01 5.47417e+01 162.985 -5.45038e+00 1.66793e+00  0.00000e+00 0.00000e+00 5.48346e+01 162.985 9.28974e-02 162.985 0.9074 
1 1 1 14 11 21 o 19 1.20496e+02 3.50768e+01 6.69191e+01 306.363 3.37517e+00  -4.58422e+00 0.00000e+00 0.00000e+00 3.95625e+01 306.363 2.73566e+01 126.363 0.9073 
1 1 1 14 11 22 o 9  6.94603e+01 3.03913e+01 3.39146e+00 324.524 1.66491e-01  -1.18652e-01 0.00000e+00 0.00000e+00 3.56331e+00 324.524 1.71851e-01 324.524 0.1017 
1 1 1 14 11 23 o 17 7.84828e+01 2.95728e+01 2.17643e+01 112.935 -7.23652e-01 1.71025e+00  0.00000e+00 0.00000e+00 3.08226e+01 112.935 9.05833e+00 112.935 0.6728 
1 1 1 14 11 24 o 15 6.15210e+01 2.67498e+01 1.57767e+01 356.475 1.10012e+00  -6.77709e-02 0.00000e+00 0.00000e+00 1.40700e+01 356.475 1.70666e+00 176.475 0.4814 
1 1 1 14 11 25 o 11 1.33838e+02 2.82305e+01 4.88048e+01 64.441  3.53746e+00  7.39668e+00  0.00000e+00 0.00000e+00 7.91216e+01 64.441  3.03168e+01 64.441  0.9369 
1 1 1 14 11 26 o 17 6.15817e+01 2.75597e+01 8.43479e+00 286.766 2.16263e-01  -7.17854e-01 0.00000e+00 0.00000e+00 1.38889e+01 286.766 5.45410e+00 286.766 0.3508 
1 1 1 14 11 27 o 8  6.79140e+01 2.95022e+01 2.36158e+01 181.724 -2.37382e+00 -7.14379e-02 0.00000e+00 0.00000e+00 2.97796e+01 181.724 6.16373e+00 181.724 0.7507 
1 1 1 14 12 0  f 0  6.85492e+01 3.50937e+01 1.42003e+01 0.000   1.05235e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.85949e+00 180.000 2.20598e+01 180.000 0.1048 
1 1 1 14 12 1  o 1  1.73131e+02 1.85787e+01 4.15714e+01 357.590 1.59485e+00  -6.71152e-02 0.00000e+00 0.00000e+00 5.30055e+01 357.590 1.14341e+01 357.590 0.6190 
1 1 1 14 12 2  o 14 8.71834e+01 2.57072e+01 3.93892e+01 216.827 -5.90140e-01 -4.41908e-01 0.00000e+00 0.00000e+00 1.27760e+01 36.827  5.21651e+01 36.827  0.3457 
1 1 1 14 12 3  o 16 1.77882e+02 1.97183e+01 6.79896e+01 13.715  3.30628e+00  8.06898e-01  0.00000e+00 0.00000e+00 6.34858e+01 13.715  4.50373e+00 193.715 0.8359 
1 1 1 14 12 4  o 2  6.36106e+01 2.42764e+01 1.08870e+01 127.773 -1.15908e-01 1.49571e-01  0.00000e+00 0.00000e+00 5.57970e+00 307.773 1.64667e+01 307.773 0.0942 
1 1 1 14 12 5  o 11 3.61843e+02 1.87693e+01 1.48787e+02 151.109 -1.31779e+01 7.27194e+00  0.00000e+00 0.00000e+00 1.61596e+02 151.109 1.28096e+01 151.109 0.9662 
1 1 1 14 12 6  o 8  2.30680e+02 1.60221e+01 3.67618e+01 136.161 -1.86988e+00 1.79560e+00  0.00000e+00 0.00000e+00 1.22333e+02 136.161 8.55714e+01 136.161 0.7747 
1 1 1 14 12 7  o 9  3.72346e+02 1.55808e+01 1.20368e+02 304.512 7.58711e+00  -1.10344e+01 0.00000e+00 0.00000e+00 1.99540e+02 304.512 7.91723e+01 304.512 0.9619 
1 1 1 14 12 8  o 4  8.46491e+01 2.54404e+01 3.94569e+01 297.147 4.27929e-01  -8.34563e-01 0.00000e+00 0.00000e+00 7.28175e+00 117.147 4.67386e+01 117.147 0.4239 
1 1 1 14 12 9  o 10 2.39917e+02 1.63086e+01 8.80693e+01 87.690  2.41875e-01  5.99497e+00  0.00000e+00 0.00000e+00 1.09026e+02 87.690  2.09566e+01 87.690  0.9124 
1 1 1 14 12 10 o 6  2.35784e+02 1.68476e+01 1.07724e+02 57.252  4.88495e+00  7.59501e+00  0.00000e+00 0.00000e+00 9.34192e+01 57.252  1.43051e+01 237.252 0.9429 
1 1 1 14 12 11 o 1  9.92000e+01 2.69661e+01 4.06292e+01 14.774  1.30720e+00  3.44754e-01  0.00000e+00 0.00000e+00 9.65792e+00 14.774  3.09713e+01 194.774 0.5573 
1 1 1 14 12 12 o 14 7.55339e+01 2.81223e+01 1.66413e+01 293.491 1.85653e-01  -4.27150e-01 0.00000e+00 0.00000e+00 9.70270e-01 113.491 1.76116e+01 113.491 0.2268 
1 1 1 14 12 13 o 19 2.45816e+02 1.85875e+01 1.25828e+02 188.218 -1.13740e+01 -1.64258e+00 0.00000e+00 0.00000e+00 9.03969e+01 188.218 3.54310e+01 8.218   0.9554 
1 1 1 14 12 14 o 18 1.12526e+02 2.70627e+01 4.16871e+01 86.935  9.12959e-02  1.70500e+00  0.00000e+00 0.00000e+00 2.54208e+01 86.935  1.62664e+01 266.935 0.6434 
1 1 1 14 12 15 o 3  2.14046e+02 1.95769e+01 7.11773e+01 342.861 7.71553e+00  -2.37941e+00 0.00000e+00 0.00000e+00 1.15864e+02 342.861 4.46862e+01 342.861 0.9359 
1 1 1 14 12 16 o 14 2.24307e+02 2.21227e+01 7.70426e+01 232.931 -5.64172e+00 -7.46821e+00 0.00000e+00 0.00000e+00 1.22426e+02 232.931 4.53830e+01 232.931 0.9450 
1 1 1 14 12 17 o 11 1.06329e+02 2.85448e+01 6.40720e+00 165.332 -3.95869e-01 1.03617e-01  0.00000e+00 0.00000e+00 1.38163e+01 165.332 7.40915e+00 165.332 0.2004 
1 1 1 14 12 18 o 1  2.40671e+02 2.27240e+01 9.47261e+01 45.291  1.20503e+01  1.21734e+01  0.00000e+00 0.00000e+00 1.28846e+02 45.291  3.41204e+01 45.291  0.9704 
1 1 1 14 12 19 o 19 8.31221e+01 2.96377e+01 7.56079e+00 52.349  3.08520e-01  3.99888e-01  0.00000e+00 0.00000e+00 1.21027e+01 52.349  4.54194e+00 52.349  0.2448 
1 1 1 14 12 20 o 1  7.58918e+01 3.54518e+01 9.13299e+01 190.837 -4.78929e+00 -9.16785e-01 0.00000e+00 0.00000e+00 2.53849e+01 10.837  1.16715e+02 10.837  0.8904 
1 1 1 14 12 21 o 7  5.40894e+01 2.43412e+01 1.35690e+01 83.876  7.59709e-02  7.08115e-01  0.00000e+00 0.00000e+00 4.31158e+00 83.876  9.25740e+00 263.876 0.3353 
1 1 1 14 12 22 o 10 6.81351e+01 3.01299e+01 8.35110e+00 69.521  1.91512e-01  5.12799e-01  0.00000e+00 0.00000e+00 9.57348e+00 69.521  1.22237e+00 69.521  0.2639 
1 1 1 14 12 23 o 3  6.02370e+01 2.79543e+01 3.31675e+01 9.560   2.18716e+00  3.68373e-01  0.00000e+00 0.00000e+00 1.11937e+01 9.560   2.19738e+01 189.560 0.7305 
1 1 1 14 12 24 o 7  1.89581e+02 2.44575e+01 7.90558e+01 331.331 1.94546e+01  -1.06375e+01 0.00000e+00 0.00000e+00 1.09931e+02 331.331 3.08750e+01 331.331 0.9772 
1 1 1 14 12 25 o 4  1.50844e+02 2.58871e+01 4.03855e+01 178.672 -9.55923e+00 2.21562e-01  0.00000e+00 0.00000e+00 1.07024e+02 178.672 6.66381e+01 178.672 0.9462 
1 1 1 14 12 26 o 7  6.81809e+01 2.84968e+01 3.40228e+01 125.150 -1.96197e+00 2.78638e+00  0.00000e+00 0.00000e+00 2.56196e+01 125.150 8.40318e+00 305.150 0.8361 
1 1 1 14 12 27 o 4  5.44334e+01 2.56362e+01 2.63709e+00 336.207 2.31832e-01  -1.02215e-01 0.00000e+00 0.00000e+00 4.61627e+00 336.207 1.97919e+00 336.207 0.1257 
1 1 1 14 13 0  o 1  1.52433e+02 3.20360e+01 3.94586e+01 0.000   8.97320e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.79833e+01 0.000   1.85248e+01 0.000   0.7150 
1 1 1 14 13 1  o 11 1.02003e+02 2.43071e+01 4.80154e+01 123.049 -7.88260e-01 1.21153e+00  0.00000e+00 0.00000e+00 5.10560e+00 123.049 4.29098e+01 303.049 0.5823 
1 1 1 14 13 2  o 1  1.21635e+02 2.35698e+01 9.65191e+01 327.048 2.91511e+00  -1.88960e+00 0.00000e+00 0.00000e+00 5.10707e+00 147.048 1.01626e+02 147.048 0.8397 
1 1 1 14 13 4  o 19 8.34604e+01 2.87523e+01 7.81704e+01 126.316 -1.09523e+00 1.49011e+00  0.00000e+00 0.00000e+00 2.78682e+01 306.316 1.06039e+02 306.316 0.6714 
1 1 1 14 13 5  o 4  3.02314e+02 1.83478e+01 3.78968e+01 12.105  3.31348e+00  7.10622e-01  0.00000e+00 0.00000e+00 1.89242e+02 12.105  1.51345e+02 12.105  0.8351 
1 1 1 14 13 6  o 19 1.23414e+02 2.22984e+01 4.78266e+01 119.762 -8.42594e-01 1.47353e+00  0.00000e+00 0.00000e+00 2.35783e+01 119.762 2.42483e+01 299.762 0.6413 
1 1 1 14 13 7  o 8  8.04550e+01 2.54405e+01 6.20830e+01 103.897 -3.27118e-01 1.32215e+00  0.00000e+00 0.00000e+00 2.12913e+01 283.897 8.33744e+01 283.897 0.5601 
1 1 1 14 13 8  o 5  9.58378e+01 2.58855e+01 4.49770e+01 263.401 -1.67315e-01 -1.44637e+00 0.00000e+00 0.00000e+00 5.97028e+00 263.401 3.90067e+01 83.401  0.5851 
1 1 1 14 13 9  o 3  7.85632e+01 2.65226e+01 3.69519e+01 253.623 -2.78631e-01 -9.48134e-01 0.00000e+00 0.00000e+00 5.25045e+00 73.623  4.22023e+01 73.623  0.4422 
1 1 1 14 13 10 o 2  8.17857e+01 2.71970e+01 2.11321e+01 242.056 -3.06621e-01 -5.78026e-01 0.00000e+00 0.00000e+00 2.17548e+00 242.056 1.89566e+01 62.056  0.3108 
1 1 1 14 13 11 f 0  1.53498e+02 2.20608e+01 4.39072e+01 278.649 4.15756e-01  -2.73334e+00 0.00000e+00 0.00000e+00 6.80060e+01 278.649 2.40988e+01 278.649 0.7910 
1 1 1 14 13 12 o 19 3.23745e+02 1.94603e+01 1.37983e+02 65.489  6.86898e+00  1.50650e+01  0.00000e+00 0.00000e+00 1.52959e+02 65.489  1.49760e+01 65.489  0.9693 
1 1 1 14 13 13 o 19 6.20597e+01 2.67106e+01 5.23425e+01 28.472  1.04655e+00  5.67573e-01  0.00000e+00 0.00000e+00 2.28220e+01 208.472 7.51645e+01 208.472 0.5098 
1 1 1 14 13 14 o 13 5.69891e+01 2.66113e+01 3.37891e+01 237.932 -5.03593e-01 -8.03798e-01 0.00000e+00 0.00000e+00 1.08847e+01 57.932  4.46738e+01 57.932  0.4279 
1 1 1 14 13 15 o 17 1.22589e+02 2.55036e+01 7.19199e+01 106.914 -1.34132e+00 4.41101e+00  0.00000e+00 0.00000e+00 3.05651e+01 106.914 4.13548e+01 286.914 0.8835 
1 1 1 14 13 16 o 2  1.47199e+02 2.25564e+01 5.46265e+01 207.530 -4.72005e+00 -2.46029e+00 0.00000e+00 0.00000e+00 7.17683e+01 207.530 1.71419e+01 207.530 0.9004 
1 1 1 14 13 17 o 7  1.79400e+02 2.68121e+01 8.58084e+01 247.337 -3.94188e+00 -9.44050e+00 0.00000e+00 0.00000e+00 7.80501e+01 247.337 7.75832e+00 67.337  0.9498 
1 1 1 14 13 18 o 14 9.93784e+01 4.02723e+01 5.34102e+01 123.745 -1.73503e+00 2.59710e+00  0.00000e+00 0.00000e+00 2.55251e+01 123.745 2.78851e+01 303.745 0.8187 
1 1 1 14 13 19 o 15 1.11380e+02 3.13121e+01 5.05505e+01 32.613  3.53586e+00  2.26238e+00  0.00000e+00 0.00000e+00 4.44194e+01 32.613  6.13111e+00 212.613 0.8707 
1 1 1 14 13 20 o 8  9.32671e+01 3.76690e+01 8.70885e+01 318.058 4.13009e+00  -3.71120e+00 0.00000e+00 0.00000e+00 3.63346e+00 138.058 9.07220e+01 138.058 0.9048 
1 1 1 14 13 21 o 14 1.48988e+02 3.97301e+01 4.60242e+01 131.890 -3.09124e+00 3.44642e+00  0.00000e+00 0.00000e+00 8.55827e+01 131.890 3.95585e+01 131.890 0.8840 
1 1 1 14 13 22 o 9  6.00907e+01 2.77213e+01 2.05872e+01 142.112 -1.12414e+00 8.74751e-01  0.00000e+00 0.00000e+00 1.44288e+01 142.112 6.15837e+00 322.112 0.5769 
1 1 1 14 13 23 f 0  7.07465e+01 3.05690e+01 1.32654e+01 255.346 -2.55444e-01 -9.76896e-01 0.00000e+00 0.00000e+00 1.92476e+01 255.346 5.98214e+00 255.346 0.4498 
1 1 1 14 13 24 f 0  5.43313e+01 2.48038e+01 1.97194e+01 94.780  -1.26752e-01 1.51586e+00  0.00000e+00 0.00000e+00 1.40562e+01 94.780  5.66319e+00 274.780 0.6013 
1 1 1 14 13 25 o 19 4.66612e+01 2.23636e+01 1.90444e+01 257.294 -3.63148e-01 -1.61070e+00 0.00000e+00 0.00000e+00 1.17897e+01 257.294 7.25472e+00 77.295  0.6313 
1 1 1 14 13 26 o 14 5.49697e+01 2.54048e+01 1.34482e+01 241.626 -6.28172e-01 -1.16304e+00 0.00000e+00 0.00000e+00 1.85425e+01 241.626 5.09433e+00 241.626 0.5489 
1 1 1 14 14 0  o 2  5.37228e+01 3.20991e+01 9.57111e+00 0.000   7.44130e-02  0.00000e+00  0.00000e+00 0.00000e+00 5.95180e+00 180.000 1.55229e+01 180.000 0.0743 
1 1 1 14 14 1  o 11 3.65207e+02 1.81407e+01 1.06788e+02 182.346 -1.15535e+01 -4.73307e-01 0.00000e+00 0.00000e+00 2.09880e+02 182.346 1.03092e+02 182.346 0.9557 
1 1 1 14 14 2  o 4  1.96671e+02 1.91844e+01 1.16863e+02 246.486 -2.69947e+00 -6.20411e+00 0.00000e+00 0.00000e+00 4.79205e+01 246.486 6.89426e+01 66.486  0.9228 
1 1 1 14 14 3  o 18 1.79413e+02 2.05012e+01 5.21904e+01 97.744  -3.58056e-01 2.63285e+00  0.00000e+00 0.00000e+00 7.52016e+01 97.744  2.30112e+01 97.744  0.7811 
1 1 1 14 14 4  o 9  4.20428e+02 2.04200e+01 2.04450e+02 73.629  6.84764e+00  2.33097e+01  0.00000e+00 0.00000e+00 1.70466e+02 73.629  3.39846e+01 253.629 0.9792 
1 1 1 14 14 5  o 4  1.56255e+02 1.98041e+01 1.04354e+02 316.145 3.31525e+00  -3.18534e+00 0.00000e+00 0.00000e+00 2.16016e+01 316.145 8.27521e+01 136.145 0.8831 
1 1 1 14 14 6  o 15 4.32662e+02 1.63816e+01 1.45473e+02 240.210 -1.13023e+01 -1.97432e+01 0.00000e+00 0.00000e+00 2.41737e+02 240.210 9.62642e+01 240.210 0.9778 
1 1 1 14 14 7  o 17 2.12236e+02 1.70446e+01 1.05793e+02 85.420  6.56311e-01  8.19364e+00  0.00000e+00 0.00000e+00 7.68325e+01 85.420  2.89608e+01 265.420 0.9370 
1 1 1 14 14 8  o 11 4.41182e+02 1.65807e+01 1.42208e+02 32.528  1.92449e+01  1.22736e+01  0.00000e+00 0.00000e+00 2.55455e+02 32.528  1.13248e+02 32.528  0.9778 
1 1 1 14 14 9  o 11 1.04672e+02 2.56900e+01 6.27344e+01 262.717 -3.19035e-01 -2.49647e+00 0.00000e+00 0.00000e+00 1.15686e+01 262.717 5.11657e+01 82.717  0.7668 
1 1 1 14 14 10 o 14 2.21854e+02 1.81950e+01 7.93443e+01 179.452 -7.44077e+00 7.12168e-02  0.00000e+00 0.00000e+00 1.12607e+02 179.452 3.32627e+01 179.452 0.9302 
1 1 1 14 14 11 o 4  1.41946e+02 2.31408e+01 2.27145e+01 29.391  1.01506e+00  5.71734e-01  0.00000e+00 0.00000e+00 4.38942e+01 29.391  2.11797e+01 29.391  0.5018 
1 1 1 14 14 12 o 18 1.21449e+02 2.65734e+01 2.90174e+01 210.481 -1.38915e+00 -8.17660e-01 0.00000e+00 0.00000e+00 4.21040e+01 210.481 1.30865e+01 210.481 0.6226 
1 1 1 14 14 13 o 13 6.47329e+01 2.73590e+01 2.97964e+01 55.657  5.32297e-01  7.79076e-01  0.00000e+00 0.00000e+00 3.69310e+00 235.657 3.34895e+01 235.657 0.4260 
1 1 1 14 14 14 o 13 9.21002e+01 3.35105e+01 5.61413e+01 16.468  2.32706e+00  6.87906e-01  0.00000e+00 0.00000e+00 1.02804e+01 16.468  4.58610e+01 196.468 0.7568 
1 1 1 14 14 15 o 7  1.49054e+02 2.24035e+01 5.90225e+01 202.880 -5.40084e+00 -2.27915e+00 0.00000e+00 0.00000e+00 7.12106e+01 202.880 1.21881e+01 202.880 0.9102 
1 1 1 14 14 16 o 11 7.80718e+01 2.83953e+01 2.04644e+01 51.462  6.46127e-01  8.11197e-01  0.00000e+00 0.00000e+00 1.42344e+01 51.462  6.23000e+00 231.462 0.4594 
1 1 1 14 14 17 o 11 1.35436e+02 3.17586e+01 9.12879e+01 27.905  7.81999e+00  4.14131e+00  0.00000e+00 0.00000e+00 3.31369e+01 27.905  5.81511e+01 207.905 0.9417 
1 1 1 14 14 18 o 8  1.31160e+02 3.74943e+01 7.55227e+01 200.820 -5.99109e+00 -2.27815e+00 0.00000e+00 0.00000e+00 4.30228e+01 200.820 3.24999e+01 20.820  0.9183 
1 1 1 14 14 19 o 7  1.16915e+02 3.48896e+01 5.99482e+01 175.784 -5.14470e+00 3.79231e-01  0.00000e+00 0.00000e+00 4.42325e+01 175.784 1.57158e+01 355.784 0.8969 
1 1 1 14 14 20 o 9  1.82491e+02 2.78308e+01 8.59866e+01 20.899  1.36481e+01  5.21130e+00  0.00000e+00 0.00000e+00 9.07234e+01 20.899  4.73685e+00 20.899  0.9651 
1 1 1 14 14 21 o 5  5.95869e+01 2.59834e+01 4.00379e+01 296.116 1.28450e+00  -2.62020e+00 0.00000e+00 0.00000e+00 8.51164e+00 296.116 3.15263e+01 116.116 0.8037 
1 1 1 14 14 22 o 13 5.55969e+01 2.49764e+01 1.27259e+01 47.739  5.73671e-01  6.31310e-01  0.00000e+00 0.00000e+00 9.60224e+00 47.739  3.12363e+00 227.739 0.3919 
1 1 1 14 14 23 o 2  4.88174e+01 2.37750e+01 1.30038e+01 46.224  6.64922e-01  6.93952e-01  0.00000e+00 0.00000e+00 8.87619e+00 46.224  4.12759e+00 226.224 0.4324 
1 1 1 14 14 24 o 9  9.59442e+01 3.45941e+01 5.32706e+01 176.742 -5.53775e+00 3.15251e-01  0.00000e+00 0.00000e+00 3.77666e+01 176.742 1.55040e+01 356.742 0.9047 
1 1 1 14 14 25 o 18 7.35026e+01 2.95894e+01 2.92576e+01 141.024 -2.32804e+00 1.88361e+00  0.00000e+00 0.00000e+00 3.39304e+01 141.024 4.67278e+00 141.024 0.8096 
1 1 1 14 15 0  o 7  2.53371e+02 2.63386e+01 1.04424e+02 0.000   4.75720e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.28936e+02 0.000   2.45125e+01 0.000   0.9999 
1 1 1 14 15 1  o 6  2.92184e+02 1.79544e+01 1.27286e+02 343.535 1.28700e+01  -3.80371e+00 0.00000e+00 0.00000e+00 1.31697e+02 343.535 4.41111e+00 343.535 0.9620 
1 1 1 14 15 2  o 15 1.33050e+02 2.40789e+01 2.63731e+01 312.745 8.22688e-01  -8.90135e-01 0.00000e+00 0.00000e+00 3.69944e+01 312.745 1.06212e+01 312.745 0.5165 
1 1 1 14 15 3  o 9  2.51835e+02 1.60459e+01 1.30588e+02 139.815 -9.12051e+00 7.70329e+00  0.00000e+00 0.00000e+00 9.19573e+01 139.815 3.86308e+01 319.815 0.9572 
1 1 1 14 15 4  o 7  1.86759e+02 1.82816e+01 7.92446e+01 126.059 -3.18495e+00 4.37422e+00  0.00000e+00 0.00000e+00 7.65776e+01 126.059 2.66694e+00 306.059 0.9021 
1 1 1 14 15 5  o 14 5.42513e+01 2.36411e+01 4.03226e+01 240.718 -3.74911e-01 -6.68586e-01 0.00000e+00 0.00000e+00 2.23379e+01 60.718  6.26605e+01 60.718  0.3576 
1 1 1 14 15 6  o 2  6.18724e+01 2.35129e+01 5.02351e+01 323.472 9.87651e-01  -7.31561e-01 0.00000e+00 0.00000e+00 2.02303e+01 143.472 7.04654e+01 143.472 0.5217 
1 1 1 14 15 7  o 16 1.34151e+02 2.27358e+01 3.03537e+01 331.426 1.41324e+00  -7.69674e-01 0.00000e+00 0.00000e+00 4.74649e+01 331.426 1.71111e+01 331.426 0.6220 
1 1 1 14 15 8  o 11 2.09931e+02 1.75763e+01 7.45812e+01 302.214 3.57069e+00  -5.66700e+00 0.00000e+00 0.00000e+00 1.06615e+02 302.214 3.20340e+01 302.214 0.9220 
1 1 1 14 15 9  f 0  9.25305e+01 2.65160e+01 4.42812e+01 57.938  7.71007e-01  1.23090e+00  0.00000e+00 0.00000e+00 6.53672e+00 57.938  3.77444e+01 237.938 0.5842 
1 1 1 14 15 10 o 5  4.32255e+02 1.72133e+01 1.37340e+02 100.017 -4.13443e+00 2.34070e+01  0.00000e+00 0.00000e+00 2.62319e+02 100.017 1.24979e+02 100.017 0.9787 
1 1 1 14 15 11 o 15 4.99520e+01 2.29213e+01 5.27713e+01 97.950  -1.73541e-01 1.24274e+00  0.00000e+00 0.00000e+00 2.76556e+01 277.950 8.04268e+01 277.950 0.5294 
1 1 1 14 15 12 o 3  1.87668e+02 2.02959e+01 8.45371e+01 216.078 -6.81322e+00 -4.96420e+00 0.00000e+00 0.00000e+00 8.37323e+01 216.078 8.04832e-01 36.078  0.9387 
1 1 1 14 15 13 o 17 1.22911e+02 3.18945e+01 2.46577e+01 250.391 -5.24800e-01 -1.47307e+00 0.00000e+00 0.00000e+00 4.75918e+01 250.391 2.29341e+01 250.391 0.6115 
1 1 1 14 15 14 o 7  1.08118e+02 3.55103e+01 4.67018e+01 6.404   2.69227e+00  3.02174e-01  0.00000e+00 0.00000e+00 3.55406e+01 6.404   1.11613e+01 186.404 0.7860 
1 1 1 14 15 15 o 8  1.54215e+02 2.28217e+01 4.69549e+01 259.872 -9.11060e-01 -5.10050e+00 0.00000e+00 0.00000e+00 8.79720e+01 259.872 4.10171e+01 259.872 0.8974 
1 1 1 14 15 16 o 16 9.73354e+01 3.26686e+01 2.74332e+01 297.755 8.73633e-01  -1.66018e+00 0.00000e+00 0.00000e+00 3.72508e+01 297.755 9.81762e+00 297.755 0.6763 
1 1 1 14 15 17 o 16 1.64100e+02 3.48749e+01 7.97211e+01 71.829  2.81433e+00  8.57469e+00  0.00000e+00 0.00000e+00 7.35768e+01 71.829  6.14431e+00 251.829 0.9429 
1 1 1 14 15 18 o 15 6.40739e+01 2.72605e+01 1.52199e+01 329.948 7.21968e-01  -4.17695e-01 0.00000e+00 0.00000e+00 9.40836e+00 329.948 5.81150e+00 149.948 0.3845 
1 1 1 14 15 19 o 14 1.34967e+02 3.29664e+01 8.34900e+01 275.070 7.80532e-01  -8.79750e+00 0.00000e+00 0.00000e+00 4.47275e+01 275.070 3.87624e+01 95.070  0.9416 
1 1 1 14 15 20 o 14 1.14725e+02 2.86947e+01 7.24125e+01 136.528 -6.04732e+00 5.73311e+00  0.00000e+00 0.00000e+00 3.72269e+01 136.528 3.51856e+01 316.528 0.9379 
1 1 1 14 15 21 o 12 7.29587e+01 3.05877e+01 3.00271e+01 103.149 -5.08815e-01 2.17799e+00  0.00000e+00 0.00000e+00 2.50334e+01 103.149 4.99374e+00 283.149 0.7330 
1 1 1 14 15 22 o 14 7.27810e+01 2.86629e+01 3.21940e+01 327.130 2.48716e+00  -1.60714e+00 0.00000e+00 0.00000e+00 2.89387e+01 327.130 3.25530e+00 147.130 0.8071 
1 1 1 14 15 23 o 8  5.86988e+01 2.73922e+01 1.66059e+01 280.728 2.66806e-01  -1.40825e+00 0.00000e+00 0.00000e+00 1.91817e+01 280.728 2.57586e+00 280.728 0.5792 
1 1 1 14 15 24 o 8  5.00240e+01 2.42335e+01 5.16626e+00 228.258 -2.93315e-01 -3.28729e-01 0.00000e+00 0.00000e+00 6.29532e+00 228.258 1.12906e+00 228.258 0.2151 
1 1 1 14 15 25 o 16 5.12057e+01 2.39673e+01 3.09097e+01 104.512 -7.58205e-01 2.92925e+00  0.00000e+00 0.00000e+00 1.39225e+01 104.512 1.69873e+01 284.512 0.8119 
1 1 1 14 16 0  o 2  9.90577e+01 4.13901e+01 7.77621e+01 180.000 -1.45033e+00 0.00000e+00  0.00000e+00 0.00000e+00 5.33590e+00 180.000 7.24262e+01 0.000   0.8958 
1 1 1 14 16 1  o 16 1.39651e+02 2.25791e+01 1.12961e+02 340.098 5.94605e+00  -2.15263e+00 0.00000e+00 0.00000e+00 7.01319e+00 340.098 1.05948e+02 160.098 0.9171 
1 1 1 14 16 2  o 4  2.06246e+02 1.97421e+01 8.56766e+01 65.190  3.03567e+00  6.56676e+00  0.00000e+00 0.00000e+00 9.37602e+01 65.190  8.08366e+00 65.190  0.9281 
1 1 1 14 16 3  o 18 1.28893e+02 2.33270e+01 5.68278e+01 66.064  1.17837e+00  2.65469e+00  0.00000e+00 0.00000e+00 4.02819e+01 66.064  1.65459e+01 246.064 0.8027 
1 1 1 14 16 4  o 5  3.22039e+02 1.92088e+01 1.13757e+02 284.254 3.86350e+00  -1.52084e+01 0.00000e+00 0.00000e+00 1.79242e+02 284.254 6.54847e+01 284.254 0.9676 
1 1 1 14 16 5  o 13 8.29635e+01 2.76110e+01 6.89535e+01 167.989 -2.21018e+00 4.70216e-01  0.00000e+00 0.00000e+00 1.13980e+01 347.989 8.03514e+01 347.989 0.7361 
1 1 1 14 16 6  o 13 3.62355e+02 1.63403e+01 1.50691e+02 97.291  -2.68038e+00 2.09504e+01  0.00000e+00 0.00000e+00 1.83545e+02 97.291  3.28543e+01 97.291  0.9760 
1 1 1 14 16 7  o 5  4.63042e+02 1.72433e+01 1.56628e+02 299.950 1.38312e+01  -2.40043e+01 0.00000e+00 0.00000e+00 2.74408e+02 299.950 1.17780e+02 299.950 0.9818 
1 1 1 14 16 8  o 18 1.19181e+02 2.46369e+01 5.65260e+01 252.018 -7.91250e-01 -2.43785e+00 0.00000e+00 0.00000e+00 3.10060e+01 252.018 2.55200e+01 72.018  0.7717 
1 1 1 14 16 9  o 11 4.59354e+02 2.07346e+01 1.22176e+02 94.734  -2.27169e+00 2.74335e+01  0.00000e+00 0.00000e+00 3.08841e+02 94.734  1.86665e+02 94.734  0.9817 
1 1 1 14 16 10 o 4  1.77378e+02 1.99063e+01 9.08067e+01 356.280 8.66051e+00  -5.63014e-01 0.00000e+00 0.00000e+00 6.94137e+01 356.280 2.13930e+01 176.280 0.9405 
1 1 1 14 16 11 o 7  1.12500e+02 2.69874e+01 3.14121e+01 12.155  1.79953e+00  3.87607e-01  0.00000e+00 0.00000e+00 4.13449e+01 12.155  9.93283e+00 12.155  0.6698 
1 1 1 14 16 12 o 14 1.28259e+02 2.62985e+01 5.93823e+01 81.997  5.95243e-01  4.23352e+00  0.00000e+00 0.00000e+00 4.93974e+01 81.997  9.98485e+00 261.997 0.8733 
1 1 1 14 16 13 o 2  1.00969e+02 4.20246e+01 8.71719e+00 184.584 -4.15385e-01 -3.33016e-02 0.00000e+00 0.00000e+00 1.14090e+01 184.584 2.69184e+00 184.584 0.2040 
1 1 1 14 16 14 o 11 2.22432e+02 2.14041e+01 9.64156e+01 221.639 -1.25158e+01 -1.11271e+01 0.00000e+00 0.00000e+00 1.15810e+02 221.639 1.93943e+01 221.639 0.9697 
1 1 1 14 16 15 o 16 6.80772e+01 2.90972e+01 1.83601e+01 274.812 7.98230e-02  -9.48122e-01 0.00000e+00 0.00000e+00 1.05829e+01 274.812 7.77716e+00 94.812  0.4289 
1 1 1 14 16 16 o 7  1.57052e+02 2.84966e+01 7.85209e+01 39.732  7.60375e+00  6.32001e+00  0.00000e+00 0.00000e+00 7.02092e+01 39.732  8.31171e+00 219.732 0.9480 
1 1 1 14 16 17 o 10 1.19897e+02 2.92656e+01 3.99886e+01 193.487 -3.97247e+00 -9.52771e-01 0.00000e+00 0.00000e+00 6.46874e+01 193.487 2.46989e+01 193.487 0.8667 
1 1 1 14 16 18 o 1  1.19495e+02 3.34632e+01 1.90448e+01 212.166 -1.49244e+00 -9.38603e-01 0.00000e+00 0.00000e+00 6.04668e+01 212.166 4.14221e+01 212.166 0.6548 
1 1 1 14 16 19 o 16 8.59873e+01 3.22785e+01 6.86989e+01 356.293 5.32574e+00  -3.45065e-01 0.00000e+00 0.00000e+00 1.07410e+01 356.293 5.79578e+01 176.293 0.9007 
1 1 1 14 16 20 o 16 6.90406e+01 2.75997e+01 4.32689e+01 197.211 -3.21398e+00 -9.95596e-01 0.00000e+00 0.00000e+00 1.63575e+01 197.211 2.69115e+01 17.211  0.8337 
1 1 1 14 16 21 o 18 1.18478e+02 2.80701e+01 4.39458e+01 120.935 -3.12446e+00 5.21332e+00  0.00000e+00 0.00000e+00 6.93409e+01 120.935 2.53951e+01 120.935 0.9136 
1 1 1 14 16 22 o 17 5.89556e+01 2.58710e+01 2.06423e+01 37.173  1.52379e+00  1.15549e+00  0.00000e+00 0.00000e+00 2.19533e+01 37.173  1.31094e+00 37.173  0.6828 
1 1 1 14 16 23 o 10 7.16370e+01 3.06666e+01 2.34979e+01 210.136 -1.88040e+00 -1.09160e+00 0.00000e+00 0.00000e+00 3.20377e+01 210.136 8.53985e+00 210.136 0.7244 
1 1 1 14 16 24 o 8  7.36730e+01 3.12518e+01 8.78005e+00 298.255 4.13014e-01  -7.68496e-01 0.00000e+00 0.00000e+00 2.30828e+01 298.255 1.43028e+01 298.255 0.3994 
1 1 1 14 17 0  o 17 6.67804e+01 3.70226e+01 1.64048e+01 180.000 -1.97831e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.97451e+00 0.000   2.03793e+01 0.000   0.1953 
1 1 1 14 17 1  o 18 3.95137e+02 1.93540e+01 1.47494e+02 175.245 -2.21497e+01 1.84255e+00  0.00000e+00 0.00000e+00 2.20644e+02 175.245 7.31506e+01 175.245 0.9772 
1 1 1 14 17 2  o 13 1.33809e+02 2.57304e+01 6.43673e+01 331.489 2.73869e+00  -1.48766e+00 0.00000e+00 0.00000e+00 4.00959e+01 331.489 2.42715e+01 151.489 0.8183 
1 1 1 14 17 3  o 17 5.67923e+01 2.39757e+01 2.95724e+01 164.816 -5.93927e-01 1.61187e-01  0.00000e+00 0.00000e+00 1.36218e+01 344.816 4.31941e+01 344.816 0.2940 
1 1 1 14 17 4  o 19 7.81690e+01 2.73894e+01 3.08364e+01 191.052 -8.38062e-01 -1.63687e-01 0.00000e+00 0.00000e+00 1.49447e+00 11.052  3.23309e+01 11.052  0.3922 
1 1 1 14 17 5  o 17 8.53241e+01 2.84246e+01 9.54442e+01 329.271 2.58582e+00  -1.53708e+00 0.00000e+00 0.00000e+00 2.91063e+01 149.272 1.24551e+02 149.272 0.8106 
1 1 1 14 17 6  o 4  2.28013e+02 1.77513e+01 9.00626e+01 326.918 8.76290e+00  -5.70861e+00 0.00000e+00 0.00000e+00 1.18481e+02 326.918 2.84185e+01 326.918 0.9509 
1 1 1 14 17 7  o 4  1.48269e+02 1.91552e+01 8.88946e+01 113.645 -2.64128e+00 6.03261e+00  0.00000e+00 0.00000e+00 4.28211e+01 113.645 4.60734e+01 293.645 0.9206 
1 1 1 14 17 8  o 12 1.34768e+02 2.39395e+01 6.68516e+01 151.340 -4.09281e+00 2.23701e+00  0.00000e+00 0.00000e+00 4.86733e+01 151.340 1.81784e+01 331.340 0.8850 
1 1 1 14 17 9  o 9  1.69425e+02 2.04651e+01 3.46432e+01 7.388   3.31128e+00  4.29366e-01  0.00000e+00 0.00000e+00 1.02522e+02 7.388   6.78787e+01 7.388   0.8322 
1 1 1 14 17 10 f 0  8.19334e+01 3.23506e+01 2.31002e+01 310.530 6.33474e-01  -7.40929e-01 0.00000e+00 0.00000e+00 1.19298e+01 310.530 1.11704e+01 130.530 0.4374 
1 1 1 14 17 11 o 2  6.54425e+01 2.65550e+01 5.99302e+01 239.204 -1.27086e+00 -2.13226e+00 0.00000e+00 0.00000e+00 1.08599e+01 59.204  7.07901e+01 59.204  0.7631 
1 1 1 14 17 12 o 11 1.04959e+02 3.01896e+01 3.20236e+01 345.278 2.06685e+00  -5.43084e-01 0.00000e+00 0.00000e+00 4.25688e+01 345.278 1.05452e+01 345.278 0.7190 
1 1 1 14 17 13 o 7  7.28599e+01 2.98451e+01 3.91941e+01 344.403 1.84008e+00  -5.13672e-01 0.00000e+00 0.00000e+00 1.02659e+01 344.403 2.89282e+01 164.403 0.6825 
1 1 1 14 17 14 o 11 1.03839e+02 3.13870e+01 2.09976e+01 96.872  -2.02931e-01 1.68393e+00  0.00000e+00 0.00000e+00 4.56592e+01 96.872  2.46616e+01 96.872  0.6410 
1 1 1 14 17 15 o 16 7.47329e+01 3.01451e+01 3.10594e+01 52.111  1.10026e+00  1.41391e+00  0.00000e+00 0.00000e+00 1.87271e+01 52.111  1.23323e+01 232.111 0.6604 
1 1 1 14 17 16 o 10 6.47180e+01 2.86212e+01 3.34399e+01 156.496 -1.71948e+00 7.47808e-01  0.00000e+00 0.00000e+00 1.10496e+01 156.496 2.23903e+01 336.496 0.6762 
1 1 1 14 17 17 o 7  1.15237e+02 2.94432e+01 2.79409e+01 229.651 -1.79526e+00 -2.11321e+00 0.00000e+00 0.00000e+00 6.55880e+01 229.651 3.76471e+01 229.651 0.7917 
1 1 1 14 17 18 o 11 9.67744e+01 2.85840e+01 2.95101e+01 289.103 9.43449e-01  -2.72403e+00 0.00000e+00 0.00000e+00 5.06563e+01 289.103 2.11463e+01 289.103 0.8009 
1 1 1 14 17 19 o 3  6.78785e+01 2.91144e+01 4.07940e+01 100.204 -5.26515e-01 2.92510e+00  0.00000e+00 0.00000e+00 1.64565e+01 100.204 2.43376e+01 280.204 0.8079 
1 1 1 14 17 20 o 8  5.30731e+01 2.41604e+01 1.30773e+01 64.286  4.02556e-01  8.35928e-01  0.00000e+00 0.00000e+00 1.04361e+01 64.286  2.64120e+00 244.286 0.4202 
1 1 1 14 17 21 f 0  8.05591e+01 2.93061e+01 2.79526e+01 301.660 1.41887e+00  -2.30096e+00 0.00000e+00 0.00000e+00 3.94475e+01 301.660 1.14949e+01 301.660 0.7854 
1 1 1 14 17 22 o 14 6.71620e+01 2.79155e+01 4.91587e+00 130.975 -3.05757e-01 3.52044e-01  0.00000e+00 0.00000e+00 1.15037e+01 130.975 6.58785e+00 130.975 0.2270 
1 1 1 14 17 23 o 16 4.64793e+01 2.21747e+01 2.43631e+01 148.537 -2.01983e+00 1.23594e+00  0.00000e+00 0.00000e+00 1.35959e+01 148.537 1.07672e+01 328.537 0.7498 
1 1 1 14 18 0  o 12 2.06080e+02 3.34297e+01 1.11484e+02 0.000   5.54384e+00  0.00000e+00  0.00000e+00 0.00000e+00 8.86304e+01 0.000   2.28538e+01 180.000 1.0000 
1 1 1 14 18 1  o 13 7.79201e+01 2.87425e+01 1.51012e+01 283.297 1.22848e-01  -5.19824e-01 0.00000e+00 0.00000e+00 4.42413e+00 283.297 1.06771e+01 103.297 0.2580 
1 1 1 14 18 2  o 15 2.10610e+02 2.10526e+01 8.58705e+01 87.694  3.60295e-01  8.94594e+00  0.00000e+00 0.00000e+00 1.07060e+02 87.694  2.11892e+01 87.694  0.9424 
1 1 1 14 18 3  o 15 1.07670e+02 2.69154e+01 4.74993e+01 289.312 7.82368e-01  -2.23262e+00 0.00000e+00 0.00000e+00 3.10510e+01 289.312 1.64483e+01 109.312 0.7496 
1 1 1 14 18 4  o 8  3.61420e+02 1.98694e+01 1.13574e+02 149.089 -1.92857e+01 1.15473e+01  0.00000e+00 0.00000e+00 2.30884e+02 149.089 1.17310e+02 149.089 0.9775 
1 1 1 14 18 5  o 8  4.73393e+01 2.20762e+01 2.53273e+01 140.314 -4.90978e-01 4.07414e-01  0.00000e+00 0.00000e+00 1.12732e+01 320.314 3.66006e+01 320.314 0.3038 
1 1 1 14 18 6  o 15 2.35090e+02 2.21390e+01 1.52272e+02 322.401 1.59558e+01  -1.22872e+01 0.00000e+00 0.00000e+00 7.23071e+01 322.401 7.99651e+01 142.401 0.9748 
1 1 1 14 18 7  o 4  7.18302e+01 2.78723e+01 3.65874e+01 305.681 7.94583e-01  -1.10656e+00 0.00000e+00 0.00000e+00 2.97422e+00 305.681 3.36132e+01 125.681 0.5602 
1 1 1 14 18 8  f 0  2.53213e+02 1.73184e+01 1.03510e+02 77.550  3.60165e+00  1.63131e+01  0.00000e+00 0.00000e+00 1.38782e+02 77.550  3.52720e+01 77.550  0.9696 
1 1 1 14 18 9  o 16 7.54416e+01 2.71941e+01 2.42319e+01 64.665  4.92065e-01  1.03932e+00  0.00000e+00 0.00000e+00 1.29293e+01 64.665  1.13026e+01 244.665 0.4970 
1 1 1 14 18 10 o 5  1.47884e+02 2.28678e+01 5.54415e+01 189.271 -5.90003e+00 -9.63112e-01 0.00000e+00 0.00000e+00 7.88765e+01 189.271 2.34350e+01 189.271 0.9120 
1 1 1 14 18 11 o 1  5.60169e+01 2.47246e+01 1.46232e+01 28.480  5.35145e-01  2.90321e-01  0.00000e+00 0.00000e+00 1.70395e+00 28.480  1.29192e+01 208.480 0.2911 
1 1 1 14 18 12 o 1  6.81601e+01 2.87634e+01 3.56394e+01 274.396 1.43767e-01  -1.87030e+00 0.00000e+00 0.00000e+00 1.07790e+01 274.396 2.48604e+01 94.396  0.6763 
1 1 1 14 18 13 o 14 5.05204e+01 2.37784e+01 2.43868e+01 173.262 -1.13676e+00 1.34296e-01  0.00000e+00 0.00000e+00 9.70592e-01 173.262 2.34163e+01 353.262 0.4953 
1 1 1 14 18 14 o 8  1.03906e+02 3.16612e+01 2.40583e+01 24.900  1.76311e+00  8.18404e-01  0.00000e+00 0.00000e+00 4.89136e+01 24.900  2.48553e+01 24.900  0.6883 
1 1 1 14 18 15 o 15 7.52604e+01 2.99898e+01 2.57536e+01 20.931  1.51330e+00  5.78822e-01  0.00000e+00 0.00000e+00 2.25502e+01 20.931  3.20334e+00 200.931 0.6245 
1 1 1 14 18 16 o 1  7.77481e+01 3.19769e+01 3.96857e+01 230.209 -1.65245e+00 -1.98397e+00 0.00000e+00 0.00000e+00 2.26184e+01 230.209 1.70673e+01 50.209  0.7736 
1 1 1 14 18 17 o 11 6.42846e+01 2.74854e+01 1.30491e+01 232.274 -6.00569e-01 -7.76328e-01 0.00000e+00 0.00000e+00 1.64814e+01 232.274 3.43233e+00 232.274 0.4398 
1 1 1 14 18 18 o 13 5.31129e+01 2.41843e+01 2.72801e+01 20.211  1.71301e+00  6.30630e-01  0.00000e+00 0.00000e+00 1.00458e+01 20.211  1.72344e+01 200.211 0.6669 
1 1 1 14 18 19 o 11 7.59779e+01 2.84605e+01 9.52023e+00 64.973  3.52711e-01  7.55452e-01  0.00000e+00 0.00000e+00 2.15438e+01 64.973  1.20236e+01 64.973  0.3844 
1 1 1 14 18 20 o 14 6.86365e+01 2.78662e+01 2.71988e+01 86.888  1.28371e-01  2.36147e+00  0.00000e+00 0.00000e+00 2.80567e+01 86.888  8.57872e-01 86.888  0.7495 
1 1 1 14 18 21 o 9  5.27052e+01 2.41048e+01 7.51583e+00 322.850 5.25223e-01  -3.97946e-01 0.00000e+00 0.00000e+00 1.03767e+01 322.850 2.86088e+00 322.850 0.3128 
1 1 1 14 18 22 o 15 6.88999e+01 2.83417e+01 2.75561e+01 201.074 -2.72956e+00 -1.05185e+00 0.00000e+00 0.00000e+00 3.32435e+01 201.074 5.68742e+00 201.074 0.8043 
1 1 1 14 19 0  o 10 3.95197e+01 2.74398e+01 3.80098e+00 180.000 -4.37914e-02 0.00000e+00  0.00000e+00 0.00000e+00 2.08802e+00 0.000   5.88900e+00 0.000   0.0438 
1 1 1 14 19 1  o 4  2.45516e+02 2.03496e+01 8.61883e+01 259.673 -2.18705e+00 -1.20019e+01 0.00000e+00 0.00000e+00 1.46847e+02 259.673 6.06584e+01 259.673 0.9581 
1 1 1 14 19 2  o 3  1.60015e+02 2.14948e+01 5.67753e+01 166.647 -5.02032e+00 1.19161e+00  0.00000e+00 0.00000e+00 8.55215e+01 166.647 2.87462e+01 166.647 0.8970 
1 1 1 14 19 3  o 17 2.13625e+02 2.50303e+01 9.51842e+01 55.351  6.26131e+00  9.05968e+00  0.00000e+00 0.00000e+00 1.07007e+02 55.351  1.18229e+01 55.351  0.9535 
1 1 1 14 19 4  o 18 2.69474e+02 1.71969e+01 1.19004e+02 315.312 1.46933e+01  -1.45343e+01 0.00000e+00 0.00000e+00 1.42406e+02 315.312 2.34020e+01 315.312 0.9755 
1 1 1 14 19 5  o 4  8.27294e+01 2.84779e+01 8.17089e-01 347.850 3.64135e-02  -7.83977e-03 0.00000e+00 0.00000e+00 7.18298e-01 347.850 9.87908e-02 167.850 0.0186 
1 1 1 14 19 6  o 9  2.64283e+02 2.34565e+01 1.09495e+02 125.891 -1.14165e+01 1.57766e+01  0.00000e+00 0.00000e+00 1.47773e+02 125.891 3.82775e+01 125.891 0.9740 
1 1 1 14 19 7  f 0  1.44661e+02 1.98449e+01 2.89843e+01 289.845 1.00543e+00  -2.78575e+00 0.00000e+00 0.00000e+00 8.80931e+01 289.845 5.91088e+01 289.845 0.8071 
1 1 1 14 19 8  f 0  2.25201e+02 1.91630e+01 7.25587e+01 314.098 8.81983e+00  -9.10209e+00 0.00000e+00 0.00000e+00 1.44981e+02 314.098 7.24227e+01 314.098 0.9597 
1 1 1 14 19 9  o 8  1.01942e+02 2.75954e+01 2.68412e+01 61.988  9.07411e-01  1.70572e+00  0.00000e+00 0.00000e+00 4.38815e+01 61.988  1.70403e+01 61.988  0.6863 
1 1 1 14 19 10 o 18 7.63807e+01 2.76478e+01 2.11590e+01 245.260 -5.37523e-01 -1.16650e+00 0.00000e+00 0.00000e+00 2.05912e+01 245.260 5.67830e-01 65.260  0.5381 
1 1 1 14 19 11 o 9  7.39242e+01 2.83407e+01 1.48109e+01 359.760 9.19172e-01  -3.85059e-03 0.00000e+00 0.00000e+00 1.66681e+01 359.760 1.85722e+00 359.760 0.4170 
1 1 1 14 19 12 o 19 7.81829e+01 3.03430e+01 1.93484e+01 341.093 1.10408e+00  -3.78153e-01 0.00000e+00 0.00000e+00 2.09979e+01 341.093 1.64949e+00 341.093 0.5025 
1 1 1 14 19 13 o 15 6.48719e+01 2.71679e+01 1.86712e+01 16.982  1.04806e+00  3.20067e-01  0.00000e+00 0.00000e+00 1.34666e+01 16.982  5.20458e+00 196.982 0.4793 
1 1 1 14 19 14 o 7  8.74120e+01 3.12063e+01 1.85447e+01 81.246  2.04140e-01  1.32567e+00  0.00000e+00 0.00000e+00 3.18832e+01 81.246  1.33385e+01 81.246  0.5544 
1 1 1 14 19 15 o 14 7.54589e+01 3.02090e+01 4.11092e+01 196.133 -2.61284e+00 -7.55775e-01 0.00000e+00 0.00000e+00 2.11381e+01 196.133 1.99711e+01 16.133  0.7869 
1 1 1 14 19 16 o 16 7.98867e+01 3.20328e+01 1.96601e+01 260.426 -2.61356e-01 -1.54946e+00 0.00000e+00 0.00000e+00 3.21001e+01 260.426 1.24400e+01 260.426 0.6133 
1 1 1 14 19 17 o 3  6.50452e+01 2.76669e+01 1.93346e+01 327.038 1.17668e+00  -7.63033e-01 0.00000e+00 0.00000e+00 2.02367e+01 327.038 9.02087e-01 327.038 0.5711 
1 1 1 14 19 18 o 11 6.95765e+01 2.80237e+01 1.25539e+01 174.219 -1.12332e+00 1.13723e-01  0.00000e+00 0.00000e+00 2.41062e+01 174.219 1.15523e+01 174.219 0.4903 
1 1 1 14 19 19 o 6  4.19974e+01 2.04012e+01 1.19262e+01 43.891  6.06518e-01  5.83487e-01  0.00000e+00 0.00000e+00 5.72694e+00 43.891  6.19931e+00 223.891 0.3875 
1 1 1 14 19 20 o 11 5.43079e+01 2.46756e+01 7.59678e+00 71.313  2.14262e-01  6.33483e-01  0.00000e+00 0.00000e+00 1.12620e+01 71.313  3.66520e+00 71.313  0.3170 
1 1 1 14 19 21 o 5  7.41206e+01 2.91712e+01 1.17410e+01 114.208 -5.26710e-01 1.17154e+00  0.00000e+00 0.00000e+00 3.24145e+01 114.208 2.06735e+01 114.208 0.5382 
1 1 1 14 20 0  o 13 2.72859e+02 3.13637e+01 1.00191e+02 180.000 -9.40586e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.75735e+02 180.000 7.55439e+01 180.000 1.0000 
1 1 1 14 20 1  o 16 5.45924e+01 2.49627e+01 6.11166e+01 125.640 -1.27881e+00 1.78361e+00  0.00000e+00 0.00000e+00 2.09558e+01 305.640 8.20723e+01 305.640 0.7273 
1 1 1 14 20 2  o 10 9.06498e+01 2.86971e+01 4.62756e+01 338.032 2.39612e+00  -9.66544e-01 0.00000e+00 0.00000e+00 2.47297e+01 338.032 2.15459e+01 158.032 0.7738 
1 1 1 14 20 3  f 0  1.29180e+02 4.07017e+01 7.55702e+01 235.382 -2.87553e+00 -4.16560e+00 0.00000e+00 0.00000e+00 4.15840e+01 235.382 3.39861e+01 55.382  0.8948 
1 1 1 14 20 4  o 5  1.10407e+02 2.69523e+01 3.23262e+01 49.668  1.58074e+00  1.86181e+00  0.00000e+00 0.00000e+00 5.27100e+01 49.668  2.03838e+01 49.668  0.7586 
1 1 1 14 20 5  o 5  2.81909e+02 1.72904e+01 1.15209e+02 336.937 2.39248e+01  -1.01864e+01 0.00000e+00 0.00000e+00 1.66100e+02 336.937 5.08904e+01 336.937 0.9806 
1 1 1 14 20 6  o 5  7.84467e+01 2.82884e+01 1.87933e+01 188.315 -1.02020e+00 -1.49112e-01 0.00000e+00 0.00000e+00 1.78129e+01 188.315 9.80448e-01 8.315   0.4573 
1 1 1 14 20 7  o 4  2.09289e+02 1.99900e+01 1.06698e+02 125.135 -1.20757e+01 1.71599e+01  0.00000e+00 0.00000e+00 1.02404e+02 125.135 4.29431e+00 305.135 0.9759 
1 1 1 14 20 8  o 18 1.25985e+02 2.22309e+01 7.45025e+01 0.582   8.38704e+00  8.52561e-02  0.00000e+00 0.00000e+00 4.69882e+01 0.582   2.75143e+01 180.582 0.9383 
1 1 1 14 20 9  o 15 1.56111e+02 2.29821e+01 7.96949e+01 266.369 -7.51837e-01 -1.18494e+01 0.00000e+00 0.00000e+00 7.44864e+01 266.369 5.20844e+00 86.369  0.9569 
1 1 1 14 20 10 o 19 7.20865e+01 2.74093e+01 9.24793e+00 225.528 -3.87421e-01 -3.94625e-01 0.00000e+00 0.00000e+00 1.06713e+01 225.528 1.42336e+00 225.528 0.2664 
1 1 1 14 20 11 o 13 1.00417e+02 3.22868e+01 1.69032e+01 84.453  1.25486e-01  1.29200e+00  0.00000e+00 0.00000e+00 3.98517e+01 84.453  2.29485e+01 84.453  0.5421 
1 1 1 14 20 12 o 1  7.18588e+01 2.93079e+01 1.55508e+01 251.528 -3.09550e-01 -9.26629e-01 0.00000e+00 0.00000e+00 1.74668e+01 251.528 1.91593e+00 251.528 0.4382 
1 1 1 14 20 13 o 8  9.22577e+01 3.09434e+01 2.49359e+01 183.301 -1.98233e+00 -1.14333e-01 0.00000e+00 0.00000e+00 4.27659e+01 183.301 1.78300e+01 183.301 0.6954 
1 1 1 14 20 14 o 9  5.75652e+01 2.57439e+01 1.33035e+01 202.999 -7.78876e-01 -3.30596e-01 0.00000e+00 0.00000e+00 1.05024e+01 202.999 2.80111e+00 22.999  0.3892 
1 1 1 14 20 15 o 14 4.77266e+01 2.27394e+01 1.65662e+01 327.274 8.84888e-01  -5.68653e-01 0.00000e+00 0.00000e+00 7.15882e+00 327.274 9.40736e+00 147.274 0.4645 
1 1 1 14 20 16 o 16 6.78301e+01 2.93868e+01 1.62975e+01 95.360  -1.08476e-01 1.15612e+00  0.00000e+00 0.00000e+00 2.03296e+01 95.360  4.03210e+00 95.360  0.5006 
1 1 1 14 20 17 o 8  5.43476e+01 2.52262e+01 1.90650e+01 74.650  3.94411e-01  1.43685e+00  0.00000e+00 0.00000e+00 1.60276e+01 74.650  3.03743e+00 254.650 0.5937 
1 1 1 14 20 18 o 14 6.59506e+01 2.83233e+01 2.12724e+01 348.855 1.93001e+00  -3.80240e-01 0.00000e+00 0.00000e+00 2.88291e+01 348.855 7.55670e+00 348.855 0.6923 
1 1 1 14 20 19 o 11 5.85870e+01 2.54927e+01 7.28252e+00 129.890 -4.40306e-01 5.26784e-01  0.00000e+00 0.00000e+00 1.37766e+01 129.890 6.49407e+00 129.890 0.3245 
1 1 1 14 20 20 o 17 7.63666e+01 2.89388e+01 1.98927e+01 181.050 -2.25637e+00 -4.13443e-02 0.00000e+00 0.00000e+00 4.29549e+01 181.050 2.30622e+01 181.050 0.7357 
1 1 1 14 21 1  o 11 5.67336e+01 2.60290e+01 3.02785e+01 174.143 -1.42272e+00 1.45956e-01  0.00000e+00 0.00000e+00 3.64675e+00 174.143 2.66317e+01 354.143 0.5784 
1 1 1 14 21 2  o 5  9.23143e+01 2.93214e+01 3.17904e+01 6.704   2.24768e+00  2.64213e-01  0.00000e+00 0.00000e+00 3.85619e+01 6.704   6.77143e+00 6.704   0.7366 
1 1 1 14 21 3  o 16 5.49208e+01 2.42974e+01 2.48010e+01 228.655 -7.75963e-01 -8.81874e-01 0.00000e+00 0.00000e+00 3.92288e+00 228.655 2.08781e+01 48.655  0.5049 
1 1 1 14 21 4  o 9  8.06781e+01 2.81127e+01 2.28024e+01 193.238 -1.41410e+00 -3.32667e-01 0.00000e+00 0.00000e+00 2.61115e+01 193.238 3.30909e+00 193.238 0.5842 
1 1 1 14 21 5  o 18 1.26691e+02 2.61384e+01 2.44705e+01 18.779  2.62028e+00  8.90946e-01  0.00000e+00 0.00000e+00 7.97919e+01 18.779  5.53214e+01 18.779  0.7912 
1 1 1 14 21 6  o 6  7.96453e+01 3.01412e+01 5.74598e+01 301.679 1.93494e+00  -3.13551e+00 0.00000e+00 0.00000e+00 1.31664e+01 301.679 4.42933e+01 121.679 0.8502 
1 1 1 14 21 7  o 17 1.66847e+02 1.78431e+01 3.98610e+01 303.175 3.73932e+00  -5.71978e+00 0.00000e+00 0.00000e+00 1.21400e+02 303.175 8.15387e+01 303.175 0.9236 
1 1 1 14 21 8  o 16 1.46569e+02 1.92315e+01 5.70175e+01 133.230 -6.03772e+00 6.42280e+00  0.00000e+00 0.00000e+00 8.79248e+01 133.230 3.09073e+01 133.230 0.9414 
1 1 1 14 21 9  f 0  5.51550e+01 2.33743e+01 1.13656e+01 36.782  5.02449e-01  3.75628e-01  0.00000e+00 0.00000e+00 6.04221e+00 36.782  5.32341e+00 216.782 0.2992 
1 1 1 14 21 10 f 0  7.63881e+01 2.82123e+01 2.35672e+01 303.309 8.91270e-01  -1.35634e+00 0.00000e+00 0.00000e+00 2.70467e+01 303.309 3.47947e+00 303.309 0.6251 
1 1 1 14 21 11 o 19 7.91508e+01 3.04137e+01 2.38279e+01 222.983 -1.21072e+00 -1.12834e+00 0.00000e+00 0.00000e+00 2.94926e+01 222.983 5.66468e+00 222.983 0.6322 
1 1 1 14 21 12 o 7  7.04807e+01 2.95231e+01 3.85628e+01 107.955 -8.26499e-01 2.55053e+00  0.00000e+00 0.00000e+00 2.06122e+01 107.955 1.79506e+01 287.955 0.7833 
1 1 1 14 21 13 o 14 8.24383e+01 2.95966e+01 3.22729e+01 69.895  9.92032e-01  2.71018e+00  0.00000e+00 0.00000e+00 3.89669e+01 69.895  6.69403e+00 69.895  0.8012 
1 1 1 14 21 14 o 5  7.17724e+01 2.91441e+01 4.15899e+01 258.739 -6.19673e-01 -3.11212e+00 0.00000e+00 0.00000e+00 2.24796e+01 258.739 1.91103e+01 78.739  0.8220 
1 1 1 14 21 15 o 12 9.23543e+01 3.35953e+01 1.28751e+01 254.217 -3.10454e-01 -1.09839e+00 0.00000e+00 0.00000e+00 3.70594e+01 254.217 2.41843e+01 254.217 0.4943 
1 1 1 14 21 16 o 18 5.84004e+01 2.64907e+01 2.86621e+01 57.047  1.21762e+00  1.87831e+00  0.00000e+00 0.00000e+00 1.85526e+01 57.047  1.01095e+01 237.047 0.7333 
1 1 1 14 21 17 f 0  6.26122e+01 2.75781e+01 5.19520e+00 211.367 -4.00190e-01 -2.43963e-01 0.00000e+00 0.00000e+00 1.06849e+01 211.367 5.48968e+00 211.367 0.2281 
1 1 1 14 21 18 o 9  6.24657e+01 2.75218e+01 1.55038e+01 330.367 1.22994e+00  -6.99641e-01 0.00000e+00 0.00000e+00 2.47396e+01 330.367 9.23582e+00 330.367 0.5744 
1 1 1 14 21 19 o 5  6.89537e+01 2.78162e+01 1.07561e+01 47.467  7.82017e-01  8.52432e-01  0.00000e+00 0.00000e+00 2.82123e+01 47.467  1.74562e+01 47.467  0.4992 
1 1 1 14 22 0  o 1  7.69447e+01 4.39768e+01 1.22096e+01 180.000 -3.58637e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.57839e+01 180.000 3.57435e+00 180.000 0.3440 
1 1 1 14 22 1  o 15 1.56411e+02 2.88522e+01 5.86261e+01 7.833   7.33156e+00  1.00854e+00  0.00000e+00 0.00000e+00 9.52065e+01 7.833   3.65804e+01 7.833   0.9298 
1 1 1 14 22 2  o 4  5.89573e+01 2.56742e+01 1.99417e+01 334.901 9.26931e-01  -4.34195e-01 0.00000e+00 0.00000e+00 8.43687e+00 334.901 1.15048e+01 154.901 0.4547 
1 1 1 14 22 3  o 14 1.19287e+02 3.21099e+01 4.87486e+01 148.199 -3.82867e+00 2.37401e+00  0.00000e+00 0.00000e+00 6.25781e+01 148.199 1.38295e+01 148.199 0.8805 
1 1 1 14 22 4  o 18 1.18311e+02 2.67935e+01 5.52197e+01 85.124  4.92472e-01  5.77313e+00  0.00000e+00 0.00000e+00 5.89795e+01 85.124  3.75984e+00 85.124  0.9090 
1 1 1 14 22 5  o 14 5.87825e+01 2.51752e+01 3.77771e+01 223.834 -1.47467e+00 -1.41584e+00 0.00000e+00 0.00000e+00 6.32204e+00 223.834 3.14551e+01 43.834  0.7049 
1 1 1 14 22 6  o 11 8.10171e+01 2.83814e+01 2.24422e+01 218.933 -1.24642e+00 -1.00694e+00 0.00000e+00 0.00000e+00 3.12014e+01 218.933 8.75922e+00 218.933 0.6204 
1 1 1 14 22 7  o 5  1.60293e+02 2.22754e+01 9.83448e+01 336.249 1.52600e+01  -6.71474e+00 0.00000e+00 0.00000e+00 6.80529e+01 336.249 3.02919e+01 156.249 0.9695 
1 1 1 14 22 8  o 9  3.82486e+01 1.84548e+01 4.54684e+01 266.059 -1.37929e-01 -2.00197e+00 0.00000e+00 0.00000e+00 1.67389e+01 86.059  6.22073e+01 86.059  0.6989 
1 1 1 14 22 9  o 8  1.36026e+02 3.28835e+01 1.00228e+02 132.356 -7.49358e+00 8.21921e+00  0.00000e+00 0.00000e+00 3.98312e+01 132.356 6.03966e+01 312.356 0.9539 
1 1 1 14 22 10 f 0  7.32612e+01 2.64990e+01 3.69817e+01 47.357  1.98896e+00  2.15974e+00  0.00000e+00 0.00000e+00 2.69924e+01 47.357  9.98938e+00 227.357 0.8051 
1 1 1 14 22 11 o 9  9.74422e+01 3.27607e+01 3.14032e+01 251.066 -9.63854e-01 -2.80979e+00 0.00000e+00 0.00000e+00 5.44185e+01 251.066 2.30153e+01 251.066 0.8078 
1 1 1 14 22 12 o 10 6.33261e+01 2.67946e+01 3.55574e+00 110.539 -9.10309e-02 2.42974e-01  0.00000e+00 0.00000e+00 5.37896e+00 110.539 1.82322e+00 110.539 0.1287 
1 1 1 14 22 13 o 9  5.61540e+01 2.53485e+01 1.93368e+01 5.242   1.39748e+00  1.28209e-01  0.00000e+00 0.00000e+00 1.60687e+01 5.242   3.26806e+00 185.242 0.5713 
1 1 1 14 22 14 o 13 4.83439e+01 2.28930e+01 1.39320e+01 281.598 2.13634e-01  -1.04096e+00 0.00000e+00 0.00000e+00 1.12156e+01 281.598 2.71641e+00 101.598 0.4682 
1 1 1 14 22 15 o 14 5.54867e+01 2.60436e+01 1.36015e+01 146.854 -9.76713e-01 6.37828e-01  0.00000e+00 0.00000e+00 1.75939e+01 146.854 3.99234e+00 146.854 0.5023 
1 1 1 14 22 16 o 17 4.42615e+01 2.16071e+01 1.71632e+00 56.352  7.82051e-02  1.17494e-01  0.00000e+00 0.00000e+00 1.79858e+00 56.352  8.22638e-02 56.352  0.0704 
1 1 1 14 22 17 o 14 6.33177e+01 2.76128e+01 1.14096e+01 321.680 8.46489e-01  -6.68985e-01 0.00000e+00 0.00000e+00 2.27054e+01 321.680 1.12957e+01 321.680 0.4737 
1 1 1 14 22 18 o 15 5.45280e+01 2.53387e+01 9.16226e+00 105.658 -2.37124e-01 8.45988e-01  0.00000e+00 0.00000e+00 1.59759e+01 105.658 6.81367e+00 105.658 0.4017 
1 1 1 14 23 0  o 13 1.05062e+02 5.03858e+01 3.47776e+01 0.000   1.34259e+00  0.00000e+00  0.00000e+00 0.00000e+00 6.44956e+01 0.000   2.97180e+01 0.000   0.8723 
1 1 1 14 23 1  o 14 1.08876e+02 2.97243e+01 5.85507e+01 336.616 5.07859e+00  -2.19601e+00 0.00000e+00 0.00000e+00 4.81433e+01 336.616 1.04074e+01 156.616 0.9044 
1 1 1 14 23 2  o 5  1.34571e+02 2.73674e+01 5.15845e+01 139.968 -4.92028e+00 4.13327e+00  0.00000e+00 0.00000e+00 8.24436e+01 139.968 3.08591e+01 139.968 0.9185 
1 1 1 14 23 3  o 17 6.17019e+01 2.62002e+01 1.33198e+01 347.846 7.66586e-01  -1.65098e-01 0.00000e+00 0.00000e+00 1.11139e+01 347.846 2.20587e+00 167.846 0.3647 
1 1 1 14 23 4  o 2  9.95818e+01 2.88971e+01 4.78587e+01 322.986 3.50296e+00  -2.64100e+00 0.00000e+00 0.00000e+00 4.71170e+01 322.986 7.41717e-01 142.986 0.8769 
1 1 1 14 23 5  o 16 4.41040e+01 2.10084e+01 1.60088e+01 96.748  -9.48348e-02 8.01475e-01  0.00000e+00 0.00000e+00 1.96656e+00 96.748  1.40423e+01 276.748 0.3739 
1 1 1 14 23 6  o 10 1.10678e+02 3.06542e+01 3.10398e+01 159.204 -3.06611e+00 1.16446e+00  0.00000e+00 0.00000e+00 6.92216e+01 159.204 3.81818e+01 159.204 0.8287 
1 1 1 14 23 7  o 15 5.54354e+01 2.35083e+01 1.66592e+01 139.590 -8.37820e-01 7.13304e-01  0.00000e+00 0.00000e+00 1.25726e+01 139.590 4.08661e+00 319.590 0.4808 
1 1 1 14 23 8  o 13 8.19001e+01 2.66598e+01 1.34236e+01 347.215 1.29072e+00  -2.92880e-01 0.00000e+00 0.00000e+00 3.61095e+01 347.215 2.26859e+01 347.215 0.5494 
1 1 1 14 23 9  o 7  9.39897e+01 2.64505e+01 4.85869e+01 249.879 -1.85308e+00 -5.05792e+00 0.00000e+00 0.00000e+00 4.51062e+01 249.879 3.48063e+00 69.879  0.9016 
1 1 1 14 23 10 o 15 6.83671e+01 2.72865e+01 7.67162e+00 149.616 -5.11981e-01 3.00185e-01  0.00000e+00 0.00000e+00 1.39287e+01 149.616 6.25704e+00 149.616 0.2844 
1 1 1 14 23 11 o 17 6.36600e+01 2.82476e+01 3.57212e+01 40.961  1.99520e+00  1.73200e+00  0.00000e+00 0.00000e+00 1.97054e+01 40.961  1.60158e+01 220.961 0.7796 
1 1 1 14 23 12 o 3  4.42553e+01 2.14074e+01 1.58298e+01 92.140  -4.38675e-02 1.17401e+00  0.00000e+00 0.00000e+00 9.27050e+00 92.140  6.55934e+00 272.140 0.5049 
1 1 1 14 23 13 f 0  5.79565e+01 2.60318e+01 1.73737e+01 242.018 -6.40355e-01 -1.20524e+00 0.00000e+00 0.00000e+00 1.93723e+01 242.018 1.99868e+00 242.018 0.5609 
1 1 1 14 23 14 o 2  5.14477e+01 2.44715e+01 1.06190e+01 329.811 7.71482e-01  -4.48817e-01 0.00000e+00 0.00000e+00 1.32136e+01 329.811 2.59461e+00 329.811 0.4070 
1 1 1 14 23 15 o 8  8.64793e+01 3.33530e+01 1.20792e+01 147.801 -9.90975e-01 6.24024e-01  0.00000e+00 0.00000e+00 3.78642e+01 147.801 2.57849e+01 147.801 0.5037 
1 1 1 14 23 16 o 10 4.81998e+01 2.31125e+01 1.37676e+01 181.673 -1.30749e+00 -3.81819e-02 0.00000e+00 0.00000e+00 1.65843e+01 181.673 2.81662e+00 181.673 0.5450 
1 1 1 14 24 0  o 5  5.73294e+01 3.63017e+01 3.28990e+01 180.000 -1.18035e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.97977e+01 180.000 1.31013e+01 0.000   0.8276 
1 1 1 14 24 1  o 4  5.63836e+01 2.50883e+01 2.81028e+01 159.761 -1.89918e+00 7.00243e-01  0.00000e+00 0.00000e+00 1.58536e+01 159.761 1.22492e+01 339.761 0.7017 
1 1 1 14 24 2  o 14 5.57438e+01 2.50286e+01 1.65293e+01 155.746 -1.07448e+00 4.84103e-01  0.00000e+00 0.00000e+00 1.48362e+01 155.746 1.69313e+00 335.746 0.5061 
1 1 1 14 24 3  o 2  8.56038e+01 2.94619e+01 3.44672e+01 2.272   3.21338e+00  1.27516e-01  0.00000e+00 0.00000e+00 4.41310e+01 2.272   9.66379e+00 2.272   0.8248 
1 1 1 14 24 4  o 19 9.37432e+01 2.96926e+01 5.93021e+01 302.790 3.24792e+00  -5.04166e+00 0.00000e+00 0.00000e+00 3.60749e+01 302.790 2.32273e+01 122.790 0.9123 
1 1 1 14 24 5  o 17 6.73261e+01 2.71400e+01 1.90679e+01 223.271 -1.07791e+00 -1.01476e+00 0.00000e+00 0.00000e+00 2.54261e+01 223.271 6.35823e+00 223.271 0.5913 
1 1 1 14 24 6  o 16 8.89082e+01 2.90504e+01 4.50277e+01 47.324  2.91761e+00  3.16449e+00  0.00000e+00 0.00000e+00 4.20970e+01 47.324  2.93069e+00 227.324 0.8743 
1 1 1 14 24 7  o 8  5.49842e+01 2.42739e+01 2.01263e+01 127.410 -8.43955e-01 1.10346e+00  0.00000e+00 0.00000e+00 1.49648e+01 127.410 5.16142e+00 307.410 0.5675 
1 1 1 14 24 8  o 8  1.07132e+02 3.61512e+01 6.32526e+01 146.509 -4.92416e+00 3.25814e+00  0.00000e+00 0.00000e+00 4.68969e+01 146.509 1.63558e+01 326.509 0.9108 
1 1 1 14 24 9  o 13 6.00743e+01 2.48671e+01 3.01207e+01 353.377 2.62511e+00  -3.04807e-01 0.00000e+00 0.00000e+00 2.29771e+01 353.377 7.14357e+00 173.377 0.7797 
1 1 1 14 24 10 o 13 5.56629e+01 2.53674e+01 4.19334e+01 276.013 3.41635e-01  -3.24309e+00 0.00000e+00 0.00000e+00 1.05390e+01 276.013 3.13944e+01 96.014  0.8276 
1 1 1 14 24 11 o 15 4.83125e+01 2.22216e+01 2.12457e+01 147.572 -1.59158e+00 1.01115e+00  0.00000e+00 0.00000e+00 1.62679e+01 147.572 4.97778e+00 327.572 0.6781 
1 1 1 14 24 12 o 7  4.94306e+01 2.32343e+01 2.89118e+01 353.910 2.45314e+00  -2.61715e-01 0.00000e+00 0.00000e+00 1.44359e+01 353.910 1.44759e+01 173.910 0.7614 
1 1 1 14 24 13 f 0  5.70745e+01 2.56684e+01 1.13563e+01 275.786 1.03206e-01  -1.01848e+00 0.00000e+00 0.00000e+00 1.87255e+01 275.786 7.36929e+00 275.786 0.4547 
1 1 1 14 24 14 o 9  6.54719e+01 2.87701e+01 1.89382e+01 137.166 -1.33887e+00 1.24126e+00  0.00000e+00 0.00000e+00 3.20227e+01 137.166 1.30845e+01 137.166 0.6670 
1 1 1 14 24 15 o 8  7.04247e+01 2.91312e+01 1.36354e+01 54.956  7.93420e-01  1.13129e+00  0.00000e+00 0.00000e+00 3.31835e+01 54.956  1.95482e+01 54.956  0.5655 
1 1 1 14 25 0  o 12 6.24287e+01 3.88279e+01 2.15234e+01 0.000   7.54388e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.38701e+01 0.000   2.34672e+00 0.000   0.6378 
1 1 1 14 25 1  o 7  9.16924e+01 3.03586e+01 6.24545e+01 167.793 -6.01893e+00 1.30213e+00  0.00000e+00 0.00000e+00 3.31980e+01 167.793 2.92565e+01 347.793 0.9147 
1 1 1 14 25 2  o 7  5.06936e+01 2.35047e+01 6.84990e+00 305.147 2.77632e-01  -3.94336e-01 0.00000e+00 0.00000e+00 6.71045e+00 305.147 1.39446e-01 125.147 0.2344 
1 1 1 14 25 3  o 13 5.85029e+01 2.56145e+01 4.34845e+01 306.747 1.95064e+00  -2.61253e+00 0.00000e+00 0.00000e+00 1.18379e+01 306.747 3.16465e+01 126.747 0.8275 
1 1 1 14 25 4  o 6  5.94912e+01 2.57526e+01 2.35849e+01 99.252  -2.87069e-01 1.76223e+00  0.00000e+00 0.00000e+00 2.13079e+01 99.252  2.27695e+00 279.252 0.6592 
1 1 1 14 25 5  o 2  5.39339e+01 2.42976e+01 5.30014e+00 141.023 -3.32194e-01 2.68784e-01  0.00000e+00 0.00000e+00 7.62815e+00 141.023 2.32801e+00 141.023 0.2089 
1 1 1 14 25 6  o 4  6.21853e+01 2.61136e+01 1.27068e+01 289.329 3.61418e-01  -1.03040e+00 0.00000e+00 0.00000e+00 2.14935e+01 289.329 8.78671e+00 289.329 0.4780 
1 1 1 14 25 7  o 8  6.27800e+01 2.62436e+01 3.56047e+00 257.117 -6.70597e-02 -2.93202e-01 0.00000e+00 0.00000e+00 7.21616e+00 257.117 3.65569e+00 257.117 0.1487 
1 1 1 14 25 8  o 2  5.53354e+01 2.37088e+01 1.97041e+01 194.223 -1.80937e+00 -4.58627e-01 0.00000e+00 0.00000e+00 2.35484e+01 194.223 3.84435e+00 194.223 0.6746 
1 1 1 14 25 9  o 16 7.44297e+01 2.66512e+01 2.31091e+01 41.619  1.89647e+00  1.68491e+00  0.00000e+00 0.00000e+00 4.34894e+01 41.619  2.03803e+01 41.619  0.7689 
1 1 1 14 25 10 o 16 7.74738e+01 2.79153e+01 2.39188e+01 20.365  2.47087e+00  9.17170e-01  0.00000e+00 0.00000e+00 4.66450e+01 20.365  2.27262e+01 20.365  0.7790 
1 1 1 14 25 11 o 11 5.43275e+01 2.38552e+01 1.32895e+01 189.843 -1.26548e+00 -2.19569e-01 0.00000e+00 0.00000e+00 2.10759e+01 189.843 7.78645e+00 189.843 0.5381 
1 1 1 14 25 12 o 4  4.61265e+01 2.16723e+01 1.39562e+01 174.842 -1.35920e+00 1.22683e-01  0.00000e+00 0.00000e+00 1.66307e+01 174.842 2.67453e+00 174.842 0.5609 
1 1 1 14 25 13 o 19 5.35547e+01 2.50025e+01 1.04376e+01 252.913 -2.90319e-01 -9.44487e-01 0.00000e+00 0.00000e+00 1.77355e+01 252.913 7.29788e+00 252.913 0.4422 
1 1 1 14 26 0  o 12 5.09005e+01 3.39781e+01 1.82387e+01 180.000 -7.82678e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.07752e+01 180.000 2.53649e+00 180.000 0.6542 
1 1 1 14 26 1  o 3  7.05485e+01 2.81826e+01 1.86005e+01 327.837 1.54206e+00  -9.69680e-01 0.00000e+00 0.00000e+00 3.64749e+01 327.837 1.78744e+01 327.837 0.6662 
1 1 1 14 26 2  o 10 7.21985e+01 2.87207e+01 1.82206e+01 335.633 1.62178e+00  -7.34531e-01 0.00000e+00 0.00000e+00 3.75089e+01 335.633 1.92883e+01 335.633 0.6582 
1 1 1 14 26 3  o 10 6.79650e+01 2.77924e+01 2.70004e+01 325.324 2.12836e+00  -1.47242e+00 0.00000e+00 0.00000e+00 3.47884e+01 325.324 7.78799e+00 325.324 0.7742 
1 1 1 14 26 4  o 6  7.49873e+01 2.90100e+01 3.08161e+01 133.830 -2.13076e+00 2.21963e+00  0.00000e+00 0.00000e+00 4.11171e+01 133.830 1.03010e+01 133.830 0.8155 
1 1 1 14 26 5  o 4  5.37102e+01 2.43083e+01 3.16326e+01 69.282  9.85308e-01  2.60508e+00  0.00000e+00 0.00000e+00 1.85666e+01 69.282  1.30660e+01 249.282 0.7928 
1 1 1 14 26 6  o 18 4.21597e+01 2.04004e+01 7.52055e+00 245.024 -2.63284e-01 -5.65245e-01 0.00000e+00 0.00000e+00 7.30986e+00 245.024 2.10685e-01 65.024  0.2975 
1 1 1 14 26 7  o 9  5.85496e+01 2.55369e+01 1.65685e+01 183.618 -1.53252e+00 -9.69052e-02 0.00000e+00 0.00000e+00 2.54334e+01 183.618 8.86488e+00 183.618 0.6048 
1 1 1 14 26 8  f 0  5.63214e+01 2.38420e+01 2.06682e+01 351.926 2.04578e+00  -2.90197e-01 0.00000e+00 0.00000e+00 2.68323e+01 351.926 6.16412e+00 351.926 0.7084 
1 1 1 14 26 9  o 12 6.38576e+01 2.59829e+01 3.68352e+00 252.810 -1.16816e-01 -3.77612e-01 0.00000e+00 0.00000e+00 1.11198e+01 252.810 7.43630e+00 252.810 0.1939 
1 1 1 14 26 10 o 19 3.89659e+01 1.90544e+01 9.96821e+00 201.298 -8.84623e-01 -3.44857e-01 0.00000e+00 0.00000e+00 1.00784e+01 201.298 1.10190e-01 201.298 0.4282 
1 1 1 14 27 0  o 14 5.16318e+01 3.47456e+01 4.16209e+01 180.000 -1.83468e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.75083e+01 180.000 2.41126e+01 0.000   0.9503 
1 1 1 14 27 1  o 16 4.44605e+01 2.14506e+01 5.44581e+00 30.352  4.18453e-01  2.45032e-01  0.00000e+00 0.00000e+00 7.18094e+00 30.352  1.73513e+00 30.352  0.2356 
1 1 1 14 27 2  o 1  3.91071e+01 1.93383e+01 2.29347e+01 323.281 1.60577e+00  -1.19774e+00 0.00000e+00 0.00000e+00 1.00093e+01 323.281 1.29254e+01 143.281 0.6983 
1 1 1 14 27 3  o 1  4.77308e+01 2.24484e+01 1.35317e+01 337.190 1.13021e+00  -4.75328e-01 0.00000e+00 0.00000e+00 1.64931e+01 337.190 2.96134e+00 337.190 0.5208 
1 1 1 14 27 4  o 6  5.75469e+01 2.52408e+01 4.29224e+00 17.917  3.86383e-01  1.24924e-01  0.00000e+00 0.00000e+00 9.56201e+00 17.917  5.26976e+00 17.917  0.1990 
1 1 1 14 27 5  o 14 7.93551e+01 2.88452e+01 6.91710e+00 235.891 -4.43664e-01 -6.55073e-01 0.00000e+00 0.00000e+00 2.84551e+01 235.891 2.15380e+01 235.891 0.3676 
1 1 1 14 27 6  o 5  5.20900e+01 2.36641e+01 6.49083e+00 275.056 5.61898e-02  -6.35125e-01 0.00000e+00 0.00000e+00 1.27432e+01 275.056 6.25242e+00 275.056 0.3036 
1 1 1 14 27 7  o 4  4.07136e+01 1.98187e+01 7.02328e+00 71.934  2.06882e-01  6.34237e-01  0.00000e+00 0.00000e+00 8.68818e+00 71.934  1.66490e+00 71.934  0.3163 
1 1 1 15 0  1  o 19 1.39688e+02 3.28676e+01 4.95700e+01 270.000 -3.81194e-17 -6.22538e-01 0.00000e+00 0.00000e+00 8.89249e+00 270.000 4.06775e+01 90.000  0.5529 
1 1 1 15 0  2  o 17 6.97239e+01 3.50771e+01 4.68682e+01 0.000   2.91615e-01  0.00000e+00  0.00000e+00 0.00000e+00 3.18877e+01 180.000 7.87559e+01 180.000 0.2836 
1 1 1 15 0  3  o 3  5.18239e+02 2.89887e+01 2.06505e+02 270.000 -5.48614e-16 -8.95954e+00 0.00000e+00 0.00000e+00 1.86577e+02 270.000 1.99280e+01 90.000  1.0000 
1 1 1 15 0  4  o 13 6.16822e+02 3.18547e+01 1.95016e+02 180.000 -9.96077e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.73667e+02 180.000 7.86511e+01 180.000 1.0000 
1 1 1 15 0  5  o 7  7.68053e+02 3.71308e+01 2.64931e+02 90.000  1.01308e-15  1.65449e+01  0.00000e+00 0.00000e+00 3.19989e+02 90.000  5.50588e+01 90.000  1.0000 
1 1 1 15 0  6  o 11 5.17449e+02 2.90405e+01 1.85765e+02 0.000   9.06106e+00  0.00000e+00  0.00000e+00 0.00000e+00 2.09400e+02 0.000   2.36347e+01 0.000   1.0000 
1 1 1 15 0  7  o 12 2.66400e+02 2.52397e+01 9.79211e+01 270.000 -1.57019e-16 -2.56432e+00 0.00000e+00 0.00000e+00 1.03786e+02 270.000 5.86534e+00 270.000 0.9882 
1 1 1 15 0  8  o 19 1.89721e+02 2.94476e+01 1.36801e+02 0.000   2.50216e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.16697e+00 0.000   1.29634e+02 180.000 0.9867 
1 1 1 15 0  9  o 1  1.62905e+02 2.26708e+01 4.29434e+01 270.000 -5.32715e-17 -8.69989e-01 0.00000e+00 0.00000e+00 4.53076e+01 270.000 2.36418e+00 270.000 0.7014 
1 1 1 15 0  10 o 7  8.85682e+01 3.54119e+01 7.08229e+01 180.000 -8.07806e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.48799e+01 0.000   9.57028e+01 0.000   0.6684 
1 1 1 15 0  11 o 1  4.44549e+02 1.99624e+01 1.18386e+02 90.000  4.20632e-16  6.86945e+00  0.00000e+00 0.00000e+00 2.28460e+02 90.000  1.10074e+02 90.000  1.0000 
1 1 1 15 0  12 o 17 3.98832e+02 1.95180e+01 1.20344e+02 180.000 -6.01032e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.92641e+02 180.000 7.22962e+01 180.000 1.0000 
1 1 1 15 0  13 o 18 5.51408e+02 2.20723e+01 1.89042e+02 270.000 -1.02259e-15 -1.67001e+01 0.00000e+00 0.00000e+00 2.46419e+02 270.000 5.73776e+01 270.000 1.0000 
1 1 1 15 0  14 o 12 5.68821e+02 2.26366e+01 1.61198e+02 0.000   1.65169e+01  0.00000e+00  0.00000e+00 0.00000e+00 2.91084e+02 0.000   1.29886e+02 0.000   1.0000 
1 1 1 15 0  15 o 7  2.27619e+02 4.32803e+01 9.87823e+01 90.000  2.09913e-16  3.42814e+00  0.00000e+00 0.00000e+00 8.31475e+01 90.000  1.56348e+01 270.000 0.9979 
1 1 1 15 0  16 o 2  4.55649e+02 3.48787e+01 1.21356e+02 180.000 -9.17584e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.46463e+02 180.000 1.25107e+02 180.000 1.0000 
1 1 1 15 0  17 o 14 8.00312e+01 3.84481e+01 3.92853e+01 90.000  4.24435e-17  6.93155e-01  0.00000e+00 0.00000e+00 1.98314e-01 270.000 3.94836e+01 270.000 0.6000 
1 1 1 15 0  18 o 2  1.13692e+02 4.12478e+01 4.75803e+01 0.000   1.31985e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.33428e+01 0.000   1.42375e+01 180.000 0.8667 
1 1 1 15 0  19 f 0  5.73064e+01 3.51635e+01 6.42088e+01 270.000 -7.10146e-17 -1.15976e+00 0.00000e+00 0.00000e+00 2.52120e+01 90.000  8.94208e+01 90.000  0.8210 
1 1 1 15 0  20 o 1  2.64501e+02 3.34526e+01 6.24562e+01 0.000   6.43431e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.58955e+02 0.000   9.64992e+01 0.000   1.0000 
1 1 1 15 0  21 o 8  1.24561e+02 4.43894e+01 5.57838e+01 90.000  1.50996e-16  2.46595e+00  0.00000e+00 0.00000e+00 4.80606e+01 90.000  7.72318e+00 270.000 0.9857 
1 1 1 15 0  22 o 2  9.05193e+01 5.30642e+01 8.25863e+01 180.000 -2.52491e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.17680e+00 0.000   8.87631e+01 0.000   0.9873 
1 1 1 15 0  23 o 10 5.89737e+01 3.72375e+01 7.57654e+00 270.000 -1.24344e-17 -2.03069e-01 0.00000e+00 0.00000e+00 2.63973e+00 270.000 4.93681e+00 90.000  0.2003 
1 1 1 15 0  24 o 5  6.94753e+01 3.96031e+01 4.33099e+01 0.000   1.62976e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.29896e+01 0.000   3.03204e+01 180.000 0.9260 
1 1 1 15 0  25 o 19 7.37226e+01 4.07416e+01 1.09229e+00 90.000  2.76567e-18  4.51669e-02  0.00000e+00 0.00000e+00 1.85581e+00 90.000  7.63522e-01 90.000  0.0451 
1 1 1 15 0  26 o 7  4.52434e+01 3.09325e+01 1.32699e+00 180.000 -5.47548e-02 0.00000e+00  0.00000e+00 0.00000e+00 8.93991e-01 180.000 4.33003e-01 0.000   0.0547 
1 1 1 15 0  27 o 17 4.76924e+01 3.19334e+01 1.54023e+00 270.000 -4.06888e-18 -6.64498e-02 0.00000e+00 0.00000e+00 1.33790e+00 270.000 2.02328e-01 90.000  0.0664 
1 1 1 15 0  28 o 9  5.81902e+01 3.70571e+01 1.53846e+01 180.000 -7.89528e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.99337e+01 180.000 4.54913e+00 180.000 0.6581 
1 1 1 15 1  1  o 7  1.18623e+02 3.10444e+01 6.12936e+01 88.448  3.43980e-02  1.26942e+00  0.00000e+00 0.00000e+00 1.33274e+01 268.448 7.46210e+01 268.448 0.5339 
1 1 1 15 1  2  o 12 4.44004e+02 2.72734e+01 1.97985e+02 184.312 -1.54993e+01 -1.16854e+00 0.00000e+00 0.00000e+00 1.27533e+02 184.312 7.04515e+01 4.312   0.9673 
1 1 1 15 1  3  o 6  4.17157e+02 1.84754e+01 2.25991e+02 294.541 6.58485e+00  -1.44215e+01 0.00000e+00 0.00000e+00 8.04369e+01 294.541 1.45554e+02 114.541 0.9679 
1 1 1 15 1  4  o 3  4.18309e+02 1.83860e+01 1.61920e+02 314.542 7.94773e+00  -8.07572e+00 0.00000e+00 0.00000e+00 1.41720e+02 314.542 2.02001e+01 134.542 0.9548 
1 1 1 15 1  5  o 10 5.33169e+02 2.05882e+01 2.49572e+02 108.930 -7.13274e+00 2.07970e+01  0.00000e+00 0.00000e+00 1.47337e+02 108.930 1.02235e+02 288.930 0.9770 
1 1 1 15 1  6  o 17 1.94688e+02 1.80276e+01 3.56643e+01 266.919 -7.08051e-02 -1.31547e+00 0.00000e+00 0.00000e+00 4.58019e+01 266.919 1.01376e+01 266.919 0.5476 
1 1 1 15 1  7  o 3  5.64914e+02 2.13797e+01 2.18551e+02 286.398 6.77772e+00  -2.30311e+01 0.00000e+00 0.00000e+00 2.05391e+02 286.398 1.31596e+01 106.398 0.9789 
1 1 1 15 1  8  o 13 1.31733e+02 2.37345e+01 5.26545e+01 4.835   1.31919e+00  1.11595e-01  0.00000e+00 0.00000e+00 3.04683e+00 4.835   4.96077e+01 184.835 0.5495 
1 1 1 15 1  9  o 10 4.32114e+02 1.58737e+01 1.73663e+02 127.456 -1.13498e+01 1.48151e+01  0.00000e+00 0.00000e+00 1.51203e+02 127.456 2.24605e+01 307.456 0.9728 
1 1 1 15 1  10 o 6  2.33785e+02 1.54321e+01 1.26277e+02 151.205 -6.92918e+00 3.80851e+00  0.00000e+00 0.00000e+00 4.33594e+01 151.205 8.29174e+01 331.205 0.9344 
1 1 1 15 1  11 o 18 2.16935e+02 1.41522e+01 7.31300e+01 336.176 3.78621e+00  -1.67184e+00 0.00000e+00 0.00000e+00 7.39755e+01 336.176 8.45530e-01 336.176 0.8687 
1 1 1 15 1  12 o 17 2.86039e+02 1.34664e+01 1.30459e+02 19.188  1.12691e+01  3.92175e+00  0.00000e+00 0.00000e+00 8.45050e+01 19.188  4.59543e+01 199.188 0.9571 
1 1 1 15 1  13 o 4  5.83250e+01 2.31966e+01 2.45147e+01 280.179 7.80169e-02  -4.34532e-01 0.00000e+00 0.00000e+00 1.45819e+01 100.179 3.90966e+01 100.179 0.2155 
1 1 1 15 1  14 o 14 2.65593e+02 1.77934e+01 1.46878e+02 223.102 -1.01689e+01 -9.51650e+00 0.00000e+00 0.00000e+00 5.66801e+01 223.102 9.01982e+01 43.102  0.9634 
1 1 1 15 1  15 o 14 1.62140e+02 3.54177e+01 6.53596e+01 32.571  2.62039e+00  1.67393e+00  0.00000e+00 0.00000e+00 4.08971e+01 32.571  2.44624e+01 212.571 0.8178 
1 1 1 15 1  16 o 2  2.75689e+02 1.91456e+01 9.29330e+01 47.946  5.88391e+00  6.52241e+00  0.00000e+00 0.00000e+00 1.16648e+02 47.946  2.37145e+01 47.946  0.9412 
1 1 1 15 1  17 o 6  3.70119e+01 1.80599e+01 2.77565e+01 287.398 1.46237e-01  -4.66687e-01 0.00000e+00 0.00000e+00 2.05975e+01 107.398 4.83540e+01 107.398 0.2375 
1 1 1 15 1  18 o 5  3.40120e+02 1.97000e+01 8.43234e+01 219.816 -1.18441e+01 -9.87361e+00 0.00000e+00 0.00000e+00 1.85915e+02 219.816 1.01591e+02 219.816 0.9670 
1 1 1 15 1  19 o 12 1.32260e+02 2.53171e+01 5.60782e+01 184.303 -4.63325e+00 -3.48590e-01 0.00000e+00 0.00000e+00 4.09395e+01 184.303 1.51387e+01 4.303   0.8845 
1 1 1 15 1  20 o 9  5.48875e+01 2.57607e+01 3.23253e+01 25.005  1.21109e+00  5.64868e-01  0.00000e+00 0.00000e+00 6.90373e+00 205.005 3.92291e+01 205.005 0.5530 
1 1 1 15 1  21 o 2  6.55803e+01 2.83202e+01 3.14093e+01 18.021  1.47075e+00  4.78473e-01  0.00000e+00 0.00000e+00 2.30239e+00 18.021  2.91069e+01 198.021 0.6074 
1 1 1 15 1  22 o 5  1.09060e+02 3.05635e+01 3.83023e+01 340.059 3.07210e+00  -1.11459e+00 0.00000e+00 0.00000e+00 3.89487e+01 340.059 6.46394e-01 340.059 0.8280 
1 1 1 15 1  23 o 10 7.84557e+01 2.99816e+01 3.23631e+01 10.568  2.09857e+00  3.91524e-01  0.00000e+00 0.00000e+00 1.64249e+01 10.568  1.59382e+01 190.568 0.7187 
1 1 1 15 1  24 o 10 6.52383e+01 2.76089e+01 1.20980e+01 146.952 -7.23986e-01 4.71016e-01  0.00000e+00 0.00000e+00 1.05228e+01 146.952 1.57518e+00 326.953 0.3960 
1 1 1 15 1  25 o 4  4.99994e+01 2.35867e+01 1.92791e+01 251.873 -3.89268e-01 -1.18910e+00 0.00000e+00 0.00000e+00 4.13820e+00 251.873 1.51409e+01 71.873  0.5284 
1 1 1 15 1  26 o 4  5.20281e+01 2.41101e+01 2.83930e+01 185.222 -2.47421e+00 -2.26110e-01 0.00000e+00 0.00000e+00 7.26590e+00 185.222 2.11271e+01 5.222   0.7633 
1 1 1 15 1  27 o 4  5.70975e+01 2.61346e+01 1.99257e+01 104.763 -4.79745e-01 1.82056e+00  0.00000e+00 0.00000e+00 1.52781e+01 104.763 4.64762e+00 284.763 0.6775 
1 1 1 15 1  28 o 8  6.19792e+01 2.71086e+01 1.90384e+01 8.543   1.97986e+00  2.97409e-01  0.00000e+00 0.00000e+00 2.08855e+01 8.543   1.84711e+00 8.543   0.6981 
1 1 1 15 2  0  o 17 1.98105e+02 2.72878e+01 7.16186e+01 270.000 -7.88557e-17 -1.28781e+00 0.00000e+00 0.00000e+00 5.73712e+01 270.000 1.42474e+01 90.000  0.8586 
1 1 1 15 2  1  o 12 5.57309e+02 3.04992e+01 1.55929e+02 270.163 4.31215e-02  -1.51803e+01 0.00000e+00 0.00000e+00 2.52665e+02 270.163 9.67360e+01 270.163 0.9665 
1 1 1 15 2  2  o 9  5.30650e+02 2.06652e+01 1.94975e+02 220.087 -1.32643e+01 -1.11645e+01 0.00000e+00 0.00000e+00 1.96076e+02 220.087 1.10162e+00 220.087 0.9707 
1 1 1 15 2  3  o 3  7.83211e+01 2.47077e+01 3.23043e+01 144.894 -3.41520e-01 2.40076e-01  0.00000e+00 0.00000e+00 2.01411e+01 324.894 5.24454e+01 324.894 0.2043 
1 1 1 15 2  4  o 17 6.77040e+02 2.37710e+01 2.38861e+02 66.966  1.04139e+01  2.44934e+01  0.00000e+00 0.00000e+00 2.66897e+02 66.966  2.80356e+01 66.966  0.9810 
1 1 1 15 2  5  o 5  1.42433e+02 2.83381e+01 5.61005e+01 126.419 -8.75333e-01 1.18645e+00  0.00000e+00 0.00000e+00 8.00610e+00 126.419 4.80944e+01 306.419 0.5897 
1 1 1 15 2  6  o 16 4.47139e+02 1.90613e+01 1.58097e+02 242.980 -6.06489e+00 -1.18926e+01 0.00000e+00 0.00000e+00 1.71025e+02 242.980 1.29281e+01 242.980 0.9618 
1 1 1 15 2  7  o 8  2.17369e+02 1.80051e+01 1.78870e+01 178.060 -7.61779e-01 2.58017e-02  0.00000e+00 0.00000e+00 4.15074e+01 178.060 2.36204e+01 178.060 0.3559 
1 1 1 15 2  8  o 11 2.09054e+02 1.53290e+01 6.81238e+01 55.942  2.00720e+00  2.96935e+00  0.00000e+00 0.00000e+00 6.80875e+01 55.942  3.63242e-02 235.942 0.8454 
1 1 1 15 2  9  o 2  7.13275e+01 2.51037e+01 4.61057e+01 155.077 -7.14475e-01 3.32004e-01  0.00000e+00 0.00000e+00 2.58867e+01 335.077 7.19924e+01 335.077 0.3662 
1 1 1 15 2  10 o 17 3.61853e+02 1.33632e+01 1.22608e+02 7.389   1.18381e+01  1.53522e+00  0.00000e+00 0.00000e+00 1.46768e+02 7.389   2.41601e+01 7.389   0.9572 
1 1 1 15 2  11 o 10 3.55369e+02 1.58273e+01 1.38896e+02 277.244 1.56943e+00  -1.23465e+01 0.00000e+00 0.00000e+00 1.27556e+02 277.244 1.13400e+01 97.244  0.9589 
1 1 1 15 2  12 o 12 4.22840e+02 1.40626e+01 8.56766e+01 244.747 -4.92451e+00 -1.04398e+01 0.00000e+00 0.00000e+00 2.32113e+02 244.747 1.46437e+02 244.747 0.9557 
1 1 1 15 2  13 o 18 2.52059e+02 1.41807e+01 1.01232e+02 77.227  1.81397e+00  8.00194e+00  0.00000e+00 0.00000e+00 8.56668e+01 77.227  1.55650e+01 257.227 0.9369 
1 1 1 15 2  14 o 6  3.79495e+02 1.73126e+01 1.04889e+02 145.362 -1.17052e+01 8.08637e+00  0.00000e+00 0.00000e+00 1.86670e+02 145.362 8.17810e+01 145.362 0.9642 
1 1 1 15 2  15 o 9  3.03403e+02 2.56015e+01 8.01970e+01 176.021 -7.65222e+00 5.32232e-01  0.00000e+00 0.00000e+00 1.46856e+02 176.021 6.66587e+01 176.021 0.9323 
1 1 1 15 2  16 o 5  2.39978e+02 2.04983e+01 9.87062e+01 300.564 4.09457e+00  -6.93359e+00 0.00000e+00 0.00000e+00 8.29401e+01 300.564 1.57661e+01 120.564 0.9357 
1 1 1 15 2  17 o 13 8.41883e+01 2.74180e+01 5.08632e+01 340.651 1.77483e+00  -6.23259e-01 0.00000e+00 0.00000e+00 4.35355e+00 160.651 5.52167e+01 160.651 0.6772 
1 1 1 15 2  18 o 10 1.92411e+02 1.87147e+01 5.16508e+01 42.415  3.97420e+00  3.63083e+00  0.00000e+00 0.00000e+00 9.11093e+01 42.415  3.94584e+01 42.415  0.9016 
1 1 1 15 2  19 o 11 8.51413e+01 2.97460e+01 3.28068e+01 92.198  -6.30629e-02 1.64272e+00  0.00000e+00 0.00000e+00 1.17321e+01 92.198  2.10747e+01 272.198 0.6298 
1 1 1 15 2  20 o 12 2.14413e+02 2.11162e+01 7.73445e+01 143.009 -1.07030e+01 8.06252e+00  0.00000e+00 0.00000e+00 9.56756e+01 143.009 1.83311e+01 143.009 0.9619 
1 1 1 15 2  21 o 17 2.86022e+02 1.92533e+01 5.64728e+01 199.832 -1.32102e+01 -4.76428e+00 0.00000e+00 0.00000e+00 1.77162e+02 199.832 1.20689e+02 199.832 0.9637 
1 1 1 15 2  22 o 7  1.30650e+02 2.82356e+01 5.86369e+01 313.600 4.32788e+00  -4.54474e+00 0.00000e+00 0.00000e+00 4.39555e+01 313.600 1.46814e+01 133.600 0.9164 
1 1 1 15 2  23 o 9  9.89690e+01 3.93959e+01 8.29283e+01 23.403  5.11208e+00  2.21246e+00  0.00000e+00 0.00000e+00 5.29750e+00 203.403 8.82258e+01 203.403 0.9051 
1 1 1 15 2  24 o 8  9.33619e+01 3.00896e+01 1.14538e+01 242.898 -4.98475e-01 -9.74034e-01 0.00000e+00 0.00000e+00 2.77447e+01 242.898 1.62909e+01 242.898 0.4788 
1 1 1 15 2  25 o 9  1.10854e+02 3.10996e+01 3.92345e+01 220.216 -3.48363e+00 -2.94559e+00 0.00000e+00 0.00000e+00 4.75863e+01 220.216 8.35176e+00 220.216 0.8821 
1 1 1 15 2  26 o 19 8.39851e+01 3.06065e+01 1.62087e+01 54.100  1.05737e+00  1.46068e+00  0.00000e+00 0.00000e+00 3.38437e+01 54.100  1.76350e+01 54.100  0.6627 
1 1 1 15 2  27 o 9  5.71157e+01 2.58676e+01 2.14641e+01 153.161 -1.82765e+00 9.24783e-01  0.00000e+00 0.00000e+00 1.52654e+01 153.161 6.19874e+00 333.161 0.7055 
1 1 1 15 2  28 f 0  5.67624e+01 2.59678e+01 1.32023e+01 183.466 -1.33107e+00 -8.06235e-02 0.00000e+00 0.00000e+00 1.57655e+01 183.466 2.56318e+00 183.466 0.5522 
1 1 1 15 3  0  o 3  4.29856e+02 2.73450e+01 1.27173e+02 270.000 -2.81345e-16 -4.59471e+00 0.00000e+00 0.00000e+00 1.99630e+02 270.000 7.24571e+01 270.000 0.9998 
1 1 1 15 3  1  o 6  4.32579e+02 2.70584e+01 1.23048e+02 271.500 2.28811e-01  -8.73765e+00 0.00000e+00 0.00000e+00 1.86538e+02 271.500 6.34899e+01 271.500 0.9409 
1 1 1 15 3  2  o 3  2.30473e+02 1.72680e+01 9.65295e+01 332.449 3.32140e+00  -1.73275e+00 0.00000e+00 0.00000e+00 5.31144e+01 332.449 4.34151e+01 152.449 0.8530 
1 1 1 15 3  3  o 11 4.74227e+02 1.95073e+01 1.12540e+02 80.789  1.42547e+00  8.79019e+00  0.00000e+00 0.00000e+00 2.27947e+02 80.789  1.15406e+02 80.789  0.9421 
1 1 1 15 3  4  o 17 4.85029e+02 1.96715e+01 1.68870e+02 89.251  1.77716e-01  1.35866e+01  0.00000e+00 0.00000e+00 1.87547e+02 89.251  1.86771e+01 89.251  0.9625 
1 1 1 15 3  5  o 8  4.30449e+02 1.87163e+01 1.34407e+02 280.782 2.05622e+00  -1.07976e+01 0.00000e+00 0.00000e+00 1.79623e+02 280.782 4.52166e+01 280.782 0.9534 
1 1 1 15 3  6  o 14 5.21197e+02 2.04458e+01 1.46937e+02 227.782 -9.64978e+00 -1.06354e+01 0.00000e+00 0.00000e+00 2.38817e+02 227.782 9.18801e+01 227.782 0.9645 
1 1 1 15 3  7  o 9  5.41342e+02 1.73391e+01 1.34149e+02 101.828 -2.91448e+00 1.39167e+01  0.00000e+00 0.00000e+00 2.67680e+02 101.828 1.33530e+02 101.828 0.9642 
1 1 1 15 3  9  o 3  4.16973e+02 1.94855e+01 1.17395e+02 318.775 9.79951e+00  -8.58626e+00 0.00000e+00 0.00000e+00 1.93544e+02 318.775 7.61490e+01 318.775 0.9608 
1 1 1 15 3  10 o 6  7.26002e+02 2.08044e+01 2.46780e+02 354.712 4.58968e+01  -4.24772e+00 0.00000e+00 0.00000e+00 3.13207e+02 354.712 6.64266e+01 354.712 0.9891 
1 1 1 15 3  11 o 1  1.80065e+02 1.51397e+01 6.40497e+01 175.083 -2.89602e+00 2.49120e-01  0.00000e+00 0.00000e+00 4.92849e+01 175.083 1.47648e+01 355.083 0.8028 
1 1 1 15 3  13 o 15 1.07879e+02 2.24392e+01 4.48134e+01 241.609 -7.10130e-01 -1.31387e+00 0.00000e+00 0.00000e+00 6.08051e+00 241.609 3.87329e+01 61.609  0.5945 
1 1 1 15 3  14 o 11 5.08446e+02 1.81593e+01 1.51421e+02 59.166  1.47200e+01  2.46599e+01  0.00000e+00 0.00000e+00 2.47664e+02 59.166  9.62429e+01 59.166  0.9824 
1 1 1 15 3  15 f 0  2.76152e+02 1.86201e+01 1.06358e+02 69.497  3.36813e+00  9.00717e+00  0.00000e+00 0.00000e+00 1.03997e+02 69.497  2.36134e+00 249.497 0.9465 
1 1 1 15 3  16 o 16 2.75201e+02 2.70116e+01 1.20446e+02 256.115 -3.24380e+00 -1.31220e+01 0.00000e+00 0.00000e+00 9.43539e+01 256.115 2.60922e+01 76.115  0.9623 
1 1 1 15 3  17 o 11 2.29611e+02 2.12447e+01 6.28004e+01 243.829 -2.94752e+00 -5.99790e+00 0.00000e+00 0.00000e+00 1.10315e+02 243.829 4.75148e+01 243.829 0.9218 
1 1 1 15 3  18 o 8  1.56841e+02 2.20840e+01 5.15088e+01 52.590  2.57513e+00  3.36690e+00  0.00000e+00 0.00000e+00 6.13585e+01 52.590  9.84969e+00 52.590  0.8721 
1 1 1 15 3  19 o 11 3.14503e+02 2.13449e+01 7.48096e+01 28.271  1.36041e+01  7.31615e+00  0.00000e+00 0.00000e+00 1.78510e+02 28.271  1.03701e+02 28.271  0.9671 
1 1 1 15 3  20 o 19 5.96241e+01 2.60362e+01 3.82014e+01 290.591 5.99168e-01  -1.59483e+00 0.00000e+00 0.00000e+00 5.97424e+00 110.591 4.41756e+01 110.591 0.6426 
1 1 1 15 3  21 o 9  7.25978e+01 3.00197e+01 1.42415e+01 279.901 1.29090e-01  -7.39588e-01 0.00000e+00 0.00000e+00 7.42702e+00 279.901 6.81447e+00 99.901  0.3512 
1 1 1 15 3  22 o 8  6.83319e+01 2.83289e+01 1.86642e+01 112.505 -3.98597e-01 9.62055e-01  0.00000e+00 0.00000e+00 8.39058e+00 112.505 1.02736e+01 292.505 0.4609 
1 1 1 15 3  23 o 18 1.14215e+02 3.01321e+01 3.60721e+01 178.887 -3.86231e+00 7.50619e-02  0.00000e+00 0.00000e+00 4.90845e+01 178.887 1.30125e+01 178.887 0.8580 
1 1 1 15 3  24 o 8  7.92777e+01 2.96285e+01 1.20953e+01 256.073 -2.38754e-01 -9.62819e-01 0.00000e+00 0.00000e+00 1.88232e+01 256.073 6.72788e+00 256.073 0.4435 
1 1 1 15 3  25 o 17 5.46102e+01 2.48483e+01 7.42953e+00 356.064 5.78311e-01  -3.97912e-02 0.00000e+00 0.00000e+00 6.10060e+00 356.064 1.32893e+00 176.064 0.2783 
1 1 1 15 3  26 o 19 4.59620e+01 2.22303e+01 3.40532e+00 193.389 -2.73544e-01 -6.51134e-02 0.00000e+00 0.00000e+00 2.36491e+00 193.389 1.04041e+00 13.389  0.1392 
1 1 1 15 3  27 f 0  5.65225e+01 2.58125e+01 1.12474e+01 343.661 1.01999e+00  -2.99010e-01 0.00000e+00 0.00000e+00 1.29395e+01 343.661 1.69210e+00 343.661 0.4682 
1 1 1 15 4  0  o 13 4.16527e+02 2.70794e+01 1.67533e+02 270.000 -3.57633e-16 -5.84058e+00 0.00000e+00 0.00000e+00 1.50380e+02 270.000 1.71531e+01 90.000  1.0000 
1 1 1 15 4  1  o 3  6.12398e+01 2.57667e+01 4.00338e+01 126.374 -2.38668e-01 3.24030e-01  0.00000e+00 0.00000e+00 3.08115e+01 306.374 7.08454e+01 306.374 0.1973 
1 1 1 15 4  2  o 17 2.17909e+02 2.53193e+01 4.71211e+01 96.021  -1.76647e-01 1.67478e+00  0.00000e+00 0.00000e+00 5.91745e+01 96.021  1.20533e+01 96.021  0.6385 
1 1 1 15 4  3  o 17 1.79246e+02 1.81581e+01 3.55950e+01 182.323 -1.06228e+00 -4.30914e-02 0.00000e+00 0.00000e+00 2.86224e+01 182.323 6.97262e+00 2.323   0.4683 
1 1 1 15 4  4  o 8  8.28430e+01 2.44598e+01 1.76927e+01 311.084 1.80162e-01  -2.06641e-01 0.00000e+00 0.00000e+00 9.07107e+00 131.084 2.67638e+01 131.084 0.1358 
1 1 1 15 4  5  o 1  1.99820e+02 1.80705e+01 3.22570e+01 263.198 -1.44641e-01 -1.21270e+00 0.00000e+00 0.00000e+00 4.74493e+01 263.198 1.51923e+01 263.198 0.5193 
1 1 1 15 4  6  o 10 2.12742e+02 1.79170e+01 6.65814e+01 339.085 2.60011e+00  -9.93657e-01 0.00000e+00 0.00000e+00 6.32946e+01 339.085 3.28685e+00 159.085 0.7926 
1 1 1 15 4  7  f 0  1.54914e+02 1.73148e+01 4.09717e+01 117.702 -7.40563e-01 1.41045e+00  0.00000e+00 0.00000e+00 3.30457e+01 117.702 7.92599e+00 297.702 0.6183 
1 1 1 15 4  8  o 19 1.18085e+02 2.13031e+01 1.95049e+01 222.986 -4.12337e-01 -3.84327e-01 0.00000e+00 0.00000e+00 5.33633e+00 222.986 1.41686e+01 42.986  0.2712 
1 1 1 15 4  9  o 19 1.70587e+02 1.69784e+01 4.83708e+01 322.087 1.74249e+00  -1.35713e+00 0.00000e+00 0.00000e+00 4.85353e+01 322.087 1.64502e-01 322.087 0.7292 
1 1 1 15 4  10 o 11 2.99808e+02 1.31272e+01 9.50001e+01 233.156 -4.49509e+00 -5.99906e+00 0.00000e+00 0.00000e+00 1.23409e+02 233.156 2.84092e+01 233.156 0.9307 
1 1 1 15 4  11 o 7  1.56939e+02 1.84696e+01 8.08643e+01 149.092 -2.70471e+00 1.61926e+00  0.00000e+00 0.00000e+00 2.04832e+01 149.092 6.03812e+01 329.092 0.8206 
1 1 1 15 4  12 o 5  2.74706e+02 1.38502e+01 9.68652e+01 45.730  5.88869e+00  6.04069e+00  0.00000e+00 0.00000e+00 1.07235e+02 45.730  1.03701e+01 45.730  0.9387 
1 1 1 15 4  13 o 5  1.29724e+02 2.49100e+01 2.42105e+01 13.991  1.05189e+00  2.62088e-01  0.00000e+00 0.00000e+00 2.49076e+01 13.991  6.97035e-01 13.991  0.4754 
1 1 1 15 4  14 o 3  9.88480e+01 2.93127e+01 4.69542e+01 187.358 -1.58672e+00 -2.04894e-01 0.00000e+00 0.00000e+00 2.18288e+00 187.358 4.47713e+01 7.358   0.6199 
1 1 1 15 4  15 o 5  4.42548e+02 1.50454e+01 1.08636e+02 309.119 1.07195e+01  -1.31816e+01 0.00000e+00 0.00000e+00 2.38177e+02 309.119 1.29541e+02 309.119 0.9701 
1 1 1 15 4  16 o 14 7.56945e+01 2.98341e+01 3.08746e+01 42.931  6.77914e-01  6.30643e-01  0.00000e+00 0.00000e+00 5.02094e+00 222.931 3.58955e+01 222.931 0.4195 
1 1 1 15 4  17 o 5  1.60785e+02 3.83063e+01 6.22713e+01 128.041 -2.52366e+00 3.22543e+00  0.00000e+00 0.00000e+00 5.21832e+01 128.041 1.00880e+01 308.041 0.8671 
1 1 1 15 4  18 o 10 1.13576e+02 2.67750e+01 4.45916e+01 258.831 -5.58734e-01 -2.82978e+00 0.00000e+00 0.00000e+00 3.07632e+01 258.831 1.38284e+01 78.831  0.8011 
1 1 1 15 4  19 o 3  5.74553e+01 2.57207e+01 3.48970e+01 171.607 -1.30948e+00 1.93197e-01  0.00000e+00 0.00000e+00 8.50663e+00 351.607 4.34036e+01 351.607 0.5494 
1 1 1 15 4  20 o 14 1.34501e+02 2.63797e+01 4.97233e+01 308.207 3.35918e+00  -4.26775e+00 0.00000e+00 0.00000e+00 5.27608e+01 308.207 3.03756e+00 308.207 0.9025 
1 1 1 15 4  21 f 0  1.02568e+02 3.24206e+01 5.27531e+01 352.033 3.90210e+00  -5.46142e-01 0.00000e+00 0.00000e+00 2.25960e+01 352.033 3.01571e+01 172.033 0.8612 
1 1 1 15 4  22 o 8  1.53321e+02 3.65388e+01 7.98494e+01 77.845  1.81350e+00  8.41997e+00  0.00000e+00 0.00000e+00 4.44354e+01 77.845  3.54140e+01 257.845 0.9400 
1 1 1 15 4  23 o 5  1.35264e+02 3.31336e+01 5.15226e+01 172.740 -6.00361e+00 7.64771e-01  0.00000e+00 0.00000e+00 5.62075e+01 172.740 4.68489e+00 172.740 0.9132 
1 1 1 15 4  24 o 11 1.75032e+02 2.29968e+01 6.63021e+01 219.769 -1.08444e+01 -9.02527e+00 0.00000e+00 0.00000e+00 8.25981e+01 219.769 1.62959e+01 219.769 0.9639 
1 1 1 15 4  25 o 10 2.25440e+02 2.94501e+01 4.37930e+01 44.185  8.70933e+00  8.46496e+00  0.00000e+00 0.00000e+00 1.49170e+02 44.185  1.05377e+02 44.185  0.9579 
1 1 1 15 4  26 o 9  5.61364e+01 2.55419e+01 4.33085e+00 319.369 2.90235e-01  -2.49032e-01 0.00000e+00 0.00000e+00 5.21143e+00 319.369 8.80576e-01 319.369 0.1878 
1 1 1 15 4  27 o 6  6.58543e+01 2.85479e+01 2.60259e+01 222.526 -1.89218e+00 -1.73543e+00 0.00000e+00 0.00000e+00 2.06179e+01 222.526 5.40808e+00 42.526  0.7721 
1 1 1 15 5  0  o 7  9.41804e+01 4.01751e+01 1.12576e+01 270.000 -6.01859e-18 -9.82910e-02 0.00000e+00 0.00000e+00 4.18079e+00 90.000  1.54383e+01 90.000  0.0980 
1 1 1 15 5  1  o 10 4.98080e+02 2.02966e+01 1.83305e+02 60.279  8.62862e+00  1.51148e+01  0.00000e+00 0.00000e+00 1.87640e+02 60.279  4.33548e+00 60.279  0.9708 
1 1 1 15 5  2  o 5  2.09643e+02 2.55294e+01 8.89932e+01 199.876 -3.27964e+00 -1.18569e+00 0.00000e+00 0.00000e+00 4.62707e+01 199.876 4.27225e+01 19.876  0.8404 
1 1 1 15 5  3  o 8  5.44450e+02 2.10542e+01 1.58839e+02 201.938 -1.51655e+01 -6.10831e+00 0.00000e+00 0.00000e+00 2.46657e+02 201.938 8.78178e+01 201.938 0.9689 
1 1 1 15 5  4  o 1  2.39772e+02 1.76528e+01 9.46478e+01 153.890 -3.86952e+00 1.89648e+00  0.00000e+00 0.00000e+00 6.68027e+01 153.890 2.78452e+01 333.890 0.8744 
1 1 1 15 5  5  o 14 3.04492e+02 1.74091e+01 1.11847e+02 294.370 2.77225e+00  -6.12005e+00 0.00000e+00 0.00000e+00 1.04883e+02 294.370 6.96372e+00 114.370 0.9222 
1 1 1 15 5  6  o 18 4.54498e+02 1.92883e+01 1.53969e+02 44.088  9.78638e+00  9.47960e+00  0.00000e+00 0.00000e+00 1.84613e+02 44.088  3.06442e+01 44.088  0.9626 
1 1 1 15 5  7  o 7  1.56543e+02 1.74326e+01 4.85594e+01 76.675  4.37243e-01  1.84613e+00  0.00000e+00 0.00000e+00 3.41133e+01 76.675  1.44460e+01 256.675 0.6802 
1 1 1 15 5  8  o 2  2.23818e+02 1.88400e+01 5.52038e+01 298.643 1.58463e+00  -2.90119e+00 0.00000e+00 0.00000e+00 8.96340e+01 298.643 3.44302e+01 298.643 0.8303 
1 1 1 15 5  9  o 9  3.56558e+02 1.89380e+01 9.60364e+01 41.123  6.71258e+00  5.86053e+00  0.00000e+00 0.00000e+00 1.66901e+02 41.123  7.08649e+01 41.123  0.9421 
1 1 1 15 5  10 o 1  1.33306e+02 2.05227e+01 8.68504e+01 169.203 -2.82760e+00 5.39257e-01  0.00000e+00 0.00000e+00 2.91074e+00 349.203 8.97612e+01 349.203 0.8006 
1 1 1 15 5  11 o 2  2.23191e+02 1.41764e+01 9.87196e+01 180.598 -7.04599e+00 -7.35961e-02 0.00000e+00 0.00000e+00 6.47053e+01 180.598 3.40143e+01 0.598   0.9260 
1 1 1 15 5  12 o 8  3.05108e+02 1.38164e+01 1.08827e+02 44.358  7.68470e+00  7.51434e+00  0.00000e+00 0.00000e+00 1.22244e+02 44.358  1.34163e+01 44.358  0.9523 
1 1 1 15 5  13 o 4  2.60081e+02 1.73675e+01 6.74787e+01 108.515 -2.00382e+00 5.98359e+00  0.00000e+00 0.00000e+00 1.23378e+02 108.515 5.58991e+01 108.515 0.9169 
1 1 1 15 5  15 o 18 4.11581e+02 1.49610e+01 1.41472e+02 294.775 8.59619e+00  -1.86256e+01 0.00000e+00 0.00000e+00 1.84363e+02 294.775 4.28903e+01 294.775 0.9753 
1 1 1 15 5  16 o 18 1.96494e+02 2.27927e+01 4.94022e+01 186.082 -4.46150e+00 -4.75348e-01 0.00000e+00 0.00000e+00 9.20456e+01 186.082 4.26434e+01 186.082 0.8799 
1 1 1 15 5  17 o 7  2.11755e+02 2.25990e+01 8.34085e+01 76.937  1.93940e+00  8.35842e+00  0.00000e+00 0.00000e+00 8.07515e+01 76.937  2.65704e+00 256.937 0.9398 
1 1 1 15 5  18 o 6  5.08495e+01 2.35154e+01 8.78760e+00 304.041 1.47757e-01  -2.18725e-01 0.00000e+00 0.00000e+00 3.25060e+00 124.041 1.20382e+01 124.041 0.1308 
1 1 1 15 5  19 o 1  5.43010e+01 2.50854e+01 2.34563e+01 224.011 -6.08498e-01 -5.87837e-01 0.00000e+00 0.00000e+00 5.70326e+00 44.011  2.91596e+01 44.011  0.3892 
1 1 1 15 5  20 o 19 9.68623e+01 3.25186e+01 3.28031e+01 340.718 2.16058e+00  -7.55867e-01 0.00000e+00 0.00000e+00 2.80000e+01 340.718 4.80317e+00 160.718 0.7400 
1 1 1 15 5  21 o 10 8.17821e+01 2.99703e+01 3.38578e+01 70.234  7.13957e-01  1.98676e+00  0.00000e+00 0.00000e+00 1.62776e+01 70.234  1.75802e+01 250.234 0.7152 
1 1 1 15 5  22 o 11 7.56373e+01 3.06337e+01 1.36955e+01 100.243 -1.46939e-01 8.13126e-01  0.00000e+00 0.00000e+00 1.13062e+01 100.243 2.38939e+00 280.243 0.3815 
1 1 1 15 5  23 o 14 1.23635e+02 2.86662e+01 2.63811e+01 289.589 1.20258e+00  -3.37919e+00 0.00000e+00 0.00000e+00 6.52310e+01 289.589 3.88498e+01 289.589 0.8455 
1 1 1 15 5  24 o 15 6.54013e+01 2.75991e+01 9.30476e+00 357.143 6.55259e-01  -3.26968e-02 0.00000e+00 0.00000e+00 8.76597e+00 357.143 5.38791e-01 177.143 0.3116 
1 1 1 15 5  25 o 14 7.87361e+01 3.02129e+01 3.44018e+01 147.254 -2.67312e+00 1.71914e+00  0.00000e+00 0.00000e+00 2.37324e+01 147.254 1.06694e+01 327.254 0.8223 
1 1 1 15 5  26 o 4  6.28473e+01 2.73963e+01 5.44865e+00 41.074  3.78521e-01  3.29898e-01  0.00000e+00 0.00000e+00 8.46704e+00 41.074  3.01840e+00 41.074  0.2435 
1 1 1 15 5  27 o 9  4.65554e+01 2.23503e+01 1.29279e+01 313.069 8.57600e-01  -9.17432e-01 0.00000e+00 0.00000e+00 9.80364e+00 313.069 3.12422e+00 133.069 0.5297 
1 1 1 15 6  0  o 11 4.57512e+01 2.95018e+01 1.36598e+01 270.000 -3.61858e-18 -5.90959e-02 0.00000e+00 0.00000e+00 1.15764e+01 90.000  2.52362e+01 90.000  0.0590 
1 1 1 15 6  2  o 16 1.63321e+02 2.82460e+01 1.26240e+02 293.372 1.50260e+00  -3.47695e+00 0.00000e+00 0.00000e+00 1.84279e+01 113.372 1.44668e+02 113.372 0.8548 
1 1 1 15 6  3  o 14 1.42209e+02 2.11510e+01 1.69102e+00 141.812 -3.70648e-02 2.91543e-02  0.00000e+00 0.00000e+00 9.00839e-01 141.812 7.90179e-01 321.812 0.0236 
1 1 1 15 6  4  o 10 3.60209e+02 1.80736e+01 1.75594e+02 114.841 -5.23192e+00 1.13018e+01  0.00000e+00 0.00000e+00 9.19618e+01 114.841 8.36327e+01 294.841 0.9590 
1 1 1 15 6  5  o 18 7.67718e+01 2.60621e+01 1.65777e+01 342.347 2.31068e-01  -7.35329e-02 0.00000e+00 0.00000e+00 9.40427e+00 162.347 2.59820e+01 162.347 0.1204 
1 1 1 15 6  6  o 6  7.30106e+01 2.40933e+01 4.71276e+01 283.025 1.88975e-01  -8.16945e-01 0.00000e+00 0.00000e+00 2.51735e+01 103.025 7.23011e+01 103.025 0.3863 
1 1 1 15 6  7  o 10 2.00125e+02 1.61777e+01 1.12203e+02 20.109  5.72036e+00  2.09437e+00  0.00000e+00 0.00000e+00 3.06221e+01 20.109  8.15808e+01 200.109 0.9138 
1 1 1 15 6  8  o 15 4.33050e+02 1.96354e+01 1.68079e+02 298.740 9.27790e+00  -1.69186e+01 0.00000e+00 0.00000e+00 1.62511e+02 298.740 5.56849e+00 118.740 0.9737 
1 1 1 15 6  9  o 7  2.78495e+02 1.54627e+01 1.00003e+02 241.649 -3.46394e+00 -6.41953e+00 0.00000e+00 0.00000e+00 1.03635e+02 241.649 3.63232e+00 241.649 0.9287 
1 1 1 15 6  10 o 13 7.49127e+01 2.62541e+01 5.24777e+01 66.389  3.79376e-01  8.67888e-01  0.00000e+00 0.00000e+00 2.71494e+01 246.389 7.96271e+01 246.389 0.4274 
1 1 1 15 6  11 o 13 3.18589e+02 1.34186e+01 9.81828e+01 11.609  9.77317e+00  2.00775e+00  0.00000e+00 0.00000e+00 1.42150e+02 11.609  4.39673e+01 11.609  0.9485 
1 1 1 15 6  12 o 14 2.07381e+02 1.49923e+01 8.42906e+01 142.978 -5.12334e+00 3.86385e+00  0.00000e+00 0.00000e+00 6.80684e+01 142.978 1.62222e+01 322.978 0.9184 
1 1 1 15 6  13 o 19 1.99265e+02 1.96303e+01 7.46593e+01 183.600 -5.51242e+00 -3.46825e-01 0.00000e+00 0.00000e+00 7.03955e+01 183.600 4.26374e+00 3.600   0.9043 
1 1 1 15 6  14 o 18 1.10380e+02 2.79956e+01 4.58707e+01 319.035 1.18856e+00  -1.03192e+00 0.00000e+00 0.00000e+00 9.05317e+00 319.035 3.68175e+01 139.035 0.6139 
1 1 1 15 6  15 o 16 1.00088e+02 2.70399e+01 2.72745e+01 107.260 -3.31844e-01 1.06803e+00  0.00000e+00 0.00000e+00 1.25041e+01 107.260 1.47705e+01 287.260 0.4868 
1 1 1 15 6  16 o 10 9.20148e+01 3.16292e+01 2.48015e+01 311.314 6.35719e-01  -7.23257e-01 0.00000e+00 0.00000e+00 7.99193e+00 311.314 1.68096e+01 131.314 0.4331 
1 1 1 15 6  17 o 10 1.55516e+02 3.11741e+01 8.39111e+01 293.834 2.51863e+00  -5.70146e+00 0.00000e+00 0.00000e+00 3.42691e+01 293.834 4.96420e+01 113.834 0.9158 
1 1 1 15 6  18 o 1  5.93776e+01 2.59469e+01 6.53354e+00 280.776 4.52482e-02  -2.37742e-01 0.00000e+00 0.00000e+00 5.62475e-01 100.776 7.09601e+00 100.776 0.1201 
1 1 1 15 6  19 o 7  1.82565e+02 2.10578e+01 4.04123e+01 62.207  2.79951e+00  5.31127e+00  0.00000e+00 0.00000e+00 1.00338e+02 62.207  5.99262e+01 62.207  0.9124 
1 1 1 15 6  20 o 14 1.25636e+02 2.76830e+01 4.51586e+01 66.139  1.75091e+00  3.95847e+00  0.00000e+00 0.00000e+00 4.86545e+01 66.139  3.49590e+00 66.139  0.8751 
1 1 1 15 6  21 o 19 1.65710e+02 2.35055e+01 7.12828e+01 120.238 -5.36622e+00 9.20595e+00  0.00000e+00 0.00000e+00 6.47109e+01 120.238 6.57193e+00 300.238 0.9519 
1 1 1 15 6  22 o 15 1.81248e+02 2.47933e+01 6.49176e+01 266.350 -7.06361e-01 -1.10743e+01 0.00000e+00 0.00000e+00 8.57600e+01 266.350 2.08424e+01 266.350 0.9538 
1 1 1 15 6  23 o 10 1.58756e+02 3.00507e+01 6.36535e+01 252.688 -3.17153e+00 -1.01752e+01 0.00000e+00 0.00000e+00 6.95589e+01 252.688 5.90532e+00 252.688 0.9519 
1 1 1 15 6  24 o 3  1.30335e+02 2.89839e+01 5.08994e+01 57.658  3.97551e+00  6.27838e+00  0.00000e+00 0.00000e+00 5.72330e+01 57.658  6.33361e+00 57.658  0.9301 
1 1 1 15 6  25 o 19 7.39356e+01 2.95067e+01 3.38291e+01 24.419  2.72401e+00  1.23675e+00  0.00000e+00 0.00000e+00 2.02151e+01 24.419  1.36140e+01 204.419 0.8094 
1 1 1 15 6  26 o 1  5.92820e+01 2.65925e+01 2.12166e+01 196.398 -1.88362e+00 -5.54298e-01 0.00000e+00 0.00000e+00 1.62953e+01 196.398 4.92129e+00 16.398  0.6917 
1 1 1 15 6  27 o 12 4.97539e+01 2.36715e+01 9.99837e+00 87.892  3.60860e-02  9.80296e-01  0.00000e+00 0.00000e+00 1.02798e+01 87.892  2.81459e-01 87.892  0.4396 
1 1 1 15 7  0  o 12 4.23886e+02 2.73544e+01 1.34906e+02 90.000  3.44763e-16  5.63041e+00  0.00000e+00 0.00000e+00 1.94364e+02 90.000  5.94579e+01 90.000  1.0000 
1 1 1 15 7  1  o 3  1.64199e+02 2.09463e+01 9.12347e+01 204.326 -2.67294e+00 -1.20834e+00 0.00000e+00 0.00000e+00 1.14616e+01 204.326 7.97731e+01 24.326  0.8049 
1 1 1 15 7  2  o 8  1.44132e+02 2.23947e+01 1.56807e+01 201.716 -4.08310e-01 -1.62618e-01 0.00000e+00 0.00000e+00 8.37193e+00 201.716 7.30878e+00 21.716  0.2146 
1 1 1 15 7  3  o 9  3.82074e+02 2.60330e+01 1.27242e+02 29.398  8.09967e+00  4.56352e+00  0.00000e+00 0.00000e+00 1.53744e+02 29.398  2.65022e+01 29.398  0.9446 
1 1 1 15 7  4  f 0  1.05048e+02 2.50826e+01 8.43306e+01 316.895 1.57877e+00  -1.47762e+00 0.00000e+00 0.00000e+00 2.51169e+01 136.895 1.09447e+02 136.895 0.7227 
1 1 1 15 7  5  o 7  2.98409e+02 1.77859e+01 8.78329e+01 240.434 -3.23330e+00 -5.69952e+00 0.00000e+00 0.00000e+00 1.26818e+02 240.434 3.89848e+01 240.434 0.9202 
1 1 1 15 7  6  o 10 5.67769e+01 2.30822e+01 6.91441e+01 152.831 -9.22428e-01 4.73432e-01  0.00000e+00 0.00000e+00 4.87026e+01 332.831 1.17847e+02 332.831 0.4593 
1 1 1 15 7  7  o 5  2.22395e+02 1.60740e+01 7.43048e+01 221.312 -3.34457e+00 -2.93953e+00 0.00000e+00 0.00000e+00 7.94249e+01 221.312 5.12009e+00 221.312 0.8789 
1 1 1 15 7  8  o 5  1.31275e+02 2.03535e+01 6.29541e+01 339.710 2.00260e+00  -7.40379e-01 0.00000e+00 0.00000e+00 1.15336e+01 339.710 5.14206e+01 159.710 0.7188 
1 1 1 15 7  9  o 16 3.27537e+02 1.54142e+01 8.77528e+01 108.392 -2.29604e+00 6.90519e+00  0.00000e+00 0.00000e+00 1.53364e+02 108.392 6.56110e+01 108.392 0.9285 
1 1 1 15 7  10 o 11 2.66419e+02 1.56714e+01 1.13666e+02 145.231 -7.92162e+00 5.49930e+00  0.00000e+00 0.00000e+00 8.72495e+01 145.231 2.64166e+01 325.231 0.9466 
1 1 1 15 7  11 o 6  1.09178e+02 2.62367e+01 5.83399e+01 74.431  5.21184e-01  1.87063e+00  0.00000e+00 0.00000e+00 1.81695e+00 74.431  5.65229e+01 254.431 0.6880 
1 1 1 15 7  12 o 2  2.66226e+02 1.71072e+01 1.00083e+02 303.991 5.38342e+00  -7.98397e+00 0.00000e+00 0.00000e+00 1.02910e+02 303.991 2.82762e+00 303.991 0.9466 
1 1 1 15 7  13 o 8  4.17934e+02 1.72675e+01 1.16254e+02 322.942 1.29606e+01  -9.78725e+00 0.00000e+00 0.00000e+00 2.11933e+02 322.942 9.56796e+01 322.942 0.9687 
1 1 1 15 7  14 o 3  2.58350e+02 1.49730e+01 4.15513e+01 77.177  8.44473e-01  3.71016e+00  0.00000e+00 0.00000e+00 1.38855e+02 77.177  9.73033e+01 77.177  0.8556 
1 1 1 15 7  15 o 6  1.73832e+02 1.87063e+01 7.41005e+01 165.260 -5.98832e+00 1.57551e+00  0.00000e+00 0.00000e+00 5.67034e+01 165.260 1.73970e+01 345.260 0.9152 
1 1 1 15 7  16 o 10 6.70350e+01 2.64120e+01 3.42395e+01 67.795  4.08920e-01  1.00177e+00  0.00000e+00 0.00000e+00 7.87207e+00 247.795 4.21116e+01 247.795 0.4747 
1 1 1 15 7  17 o 7  9.45603e+01 3.27899e+01 8.54289e+00 37.373  3.38143e-01  2.58279e-01  0.00000e+00 0.00000e+00 7.89678e+00 37.373  6.46110e-01 217.373 0.2081 
1 1 1 15 7  18 o 14 9.65389e+01 3.57112e+01 1.72749e+01 220.934 -7.13250e-01 -6.18585e-01 0.00000e+00 0.00000e+00 1.74112e+01 220.934 1.36262e-01 220.934 0.4262 
1 1 1 15 7  19 o 9  6.46851e+01 2.69391e+01 2.30957e+01 7.790   1.09356e+00  1.49610e-01  0.00000e+00 0.00000e+00 3.42906e+00 7.790   1.96666e+01 187.790 0.4819 
1 1 1 15 7  20 o 11 7.79262e+01 2.97515e+01 2.34406e+01 298.623 6.40199e-01  -1.17308e+00 0.00000e+00 0.00000e+00 1.35882e+01 298.623 9.85249e+00 118.623 0.5530 
1 1 1 15 7  21 o 10 7.07984e+01 2.83170e+01 2.16921e+01 223.089 -9.46023e-01 -8.84934e-01 0.00000e+00 0.00000e+00 1.15819e+01 223.089 1.01102e+01 43.089  0.5413 
1 1 1 15 7  22 o 3  6.92095e+01 2.89309e+01 2.53766e+01 340.652 1.60404e+00  -5.63220e-01 0.00000e+00 0.00000e+00 1.36096e+01 340.652 1.17670e+01 160.652 0.6418 
1 1 1 15 7  23 o 15 9.34642e+01 3.25087e+01 2.59682e+01 112.409 -8.86295e-01 2.14931e+00  0.00000e+00 0.00000e+00 3.58015e+01 112.409 9.83325e+00 112.409 0.7445 
1 1 1 15 7  24 o 17 6.36639e+01 2.72765e+01 4.10627e+01 138.078 -2.28056e+00 2.04781e+00  0.00000e+00 0.00000e+00 5.52558e+00 138.078 3.55371e+01 318.078 0.8147 
1 1 1 15 7  25 o 12 1.07164e+02 3.06323e+01 3.95089e+01 308.770 3.50326e+00  -4.36182e+00 0.00000e+00 0.00000e+00 4.87438e+01 308.770 9.23485e+00 308.770 0.9056 
1 1 1 15 7  26 o 7  9.99503e+01 3.48004e+01 2.70067e+01 322.853 2.53696e+00  -1.92195e+00 0.00000e+00 0.00000e+00 4.87360e+01 322.853 2.17292e+01 322.853 0.8226 
1 1 1 15 7  27 o 5  5.19433e+01 2.43599e+01 1.49787e+01 141.446 -1.16013e+00 9.24603e-01  0.00000e+00 0.00000e+00 1.37308e+01 141.446 1.24788e+00 321.446 0.5920 
1 1 1 15 8  0  o 19 1.28703e+02 3.79359e+01 3.41314e+01 90.000  3.26221e-17  5.32760e-01  0.00000e+00 0.00000e+00 1.49978e+01 90.000  1.91336e+01 270.000 0.4875 
1 1 1 15 8  1  o 13 1.02388e+02 2.67371e+01 5.99108e+01 358.212 1.48681e+00  -4.64166e-02 0.00000e+00 0.00000e+00 1.23525e+01 178.212 7.22633e+01 178.212 0.5930 
1 1 1 15 8  2  o 11 1.45338e+02 2.24736e+01 6.21614e+01 130.278 -1.44220e+00 1.70188e+00  0.00000e+00 0.00000e+00 2.12578e+01 130.278 4.09036e+01 310.278 0.7323 
1 1 1 15 8  3  f 0  8.68865e+01 3.10975e+01 8.88775e+01 111.162 -6.56719e-01 1.69642e+00  0.00000e+00 0.00000e+00 4.34821e+01 291.162 1.32360e+02 291.162 0.6657 
1 1 1 15 8  4  o 19 4.20797e+02 1.90733e+01 1.80123e+02 282.010 4.26178e+00  -2.00325e+01 0.00000e+00 0.00000e+00 1.42531e+02 282.010 3.75919e+01 102.010 0.9753 
1 1 1 15 8  5  o 2  1.21678e+02 2.41995e+01 5.75255e+01 332.594 1.63065e+00  -8.45454e-01 0.00000e+00 0.00000e+00 6.62573e+00 332.594 5.08997e+01 152.594 0.6691 
1 1 1 15 8  6  o 15 2.39722e+02 1.56119e+01 1.41544e+02 73.117  2.61826e+00  8.62693e+00  0.00000e+00 0.00000e+00 3.70446e+01 73.117  1.04499e+02 253.117 0.9428 
1 1 1 15 8  7  o 5  1.42811e+02 1.93971e+01 5.30883e+01 212.590 -1.65986e+00 -1.06112e+00 0.00000e+00 0.00000e+00 2.53484e+01 212.590 2.77399e+01 32.590  0.6928 
1 1 1 15 8  8  o 16 4.19337e+01 1.95236e+01 3.29112e+01 192.887 -3.36840e-01 -7.70634e-02 0.00000e+00 0.00000e+00 2.72301e+01 12.887  6.01413e+01 12.887  0.1702 
1 1 1 15 8  9  o 8  3.71002e+02 1.58336e+01 8.21422e+01 13.696  9.46464e+00  2.30652e+00  0.00000e+00 0.00000e+00 1.98706e+02 13.696  1.16564e+02 13.696  0.9472 
1 1 1 15 8  10 o 12 2.00864e+02 1.77603e+01 5.69134e+01 10.643  3.60869e+00  6.78183e-01  0.00000e+00 0.00000e+00 8.01293e+01 10.643  2.32159e+01 10.643  0.8496 
1 1 1 15 8  11 o 5  3.63475e+02 1.62836e+01 1.43293e+02 166.705 -1.85144e+01 4.37496e+00  0.00000e+00 0.00000e+00 1.42323e+02 166.705 9.69619e-01 346.705 0.9734 
1 1 1 15 8  12 o 16 1.90642e+02 1.89269e+01 6.82139e+01 229.273 -3.16943e+00 -3.68132e+00 0.00000e+00 0.00000e+00 6.95559e+01 229.273 1.34194e+00 229.273 0.8900 
1 1 1 15 8  13 o 2  3.32267e+02 1.71868e+01 1.16472e+02 350.660 1.35117e+01  -2.22240e+00 0.00000e+00 0.00000e+00 1.44925e+02 350.660 2.84525e+01 350.660 0.9628 
1 1 1 15 8  14 o 4  2.92059e+02 1.51408e+01 1.04858e+02 313.787 9.52086e+00  -9.93282e+00 0.00000e+00 0.00000e+00 1.26521e+02 313.787 2.16631e+01 313.787 0.9629 
1 1 1 15 8  15 o 18 2.42882e+02 1.61766e+01 1.06052e+02 266.687 -7.24550e-01 -1.25150e+01 0.00000e+00 0.00000e+00 8.70358e+01 266.687 1.90160e+01 86.687  0.9592 
1 1 1 15 8  16 o 19 1.26166e+02 2.52284e+01 6.44854e+01 65.739  1.71946e+00  3.81512e+00  0.00000e+00 0.00000e+00 2.72248e+01 65.739  3.72606e+01 245.739 0.8703 
1 1 1 15 8  17 o 14 2.11499e+02 2.76243e+01 8.79756e+01 85.905  8.14133e-01  1.13720e+01  0.00000e+00 0.00000e+00 8.21566e+01 85.905  5.81902e+00 265.905 0.9551 
1 1 1 15 8  18 o 6  1.02173e+02 3.62958e+01 5.52422e+01 128.709 -1.96822e+00 2.45594e+00  0.00000e+00 0.00000e+00 1.59751e+01 128.709 3.92671e+01 308.709 0.8203 
1 1 1 15 8  19 o 17 8.67377e+01 2.90602e+01 3.23488e+01 180.680 -2.16631e+00 -2.57030e-02 0.00000e+00 0.00000e+00 2.14596e+01 180.680 1.08893e+01 0.680   0.7233 
1 1 1 15 8  20 o 6  4.30328e+01 2.08513e+01 1.58067e+01 317.051 4.49522e-01  -4.18435e-01 0.00000e+00 0.00000e+00 4.86912e+00 137.051 2.06758e+01 137.051 0.2934 
1 1 1 15 8  21 o 1  1.40775e+02 3.88415e+01 7.29004e+01 286.127 1.90054e+00  -6.57312e+00 0.00000e+00 0.00000e+00 4.09022e+01 286.127 3.19982e+01 106.127 0.9237 
1 1 1 15 8  22 o 11 1.56387e+02 2.49469e+01 3.69019e+01 235.778 -3.96113e+00 -5.82377e+00 0.00000e+00 0.00000e+00 9.12161e+01 235.778 5.43142e+01 235.778 0.9260 
1 1 1 15 8  23 o 12 1.68705e+02 3.02010e+01 5.24967e+01 82.094  1.22812e+00  8.84355e+00  0.00000e+00 0.00000e+00 8.97355e+01 82.094  3.72388e+01 82.094  0.9422 
1 1 1 15 8  24 o 12 1.47812e+02 2.60665e+01 4.46980e+01 27.566  8.03577e+00  4.19492e+00  0.00000e+00 0.00000e+00 8.15265e+01 27.566  3.68285e+01 27.566  0.9431 
1 1 1 15 8  25 o 4  5.04719e+01 2.37975e+01 2.69228e+01 162.039 -2.16701e+00 7.02474e-01  0.00000e+00 0.00000e+00 7.24817e+00 162.039 1.96746e+01 342.039 0.7385 
1 1 1 15 8  26 o 16 5.32417e+01 2.49558e+01 3.04255e+01 247.050 -1.17986e+00 -2.78640e+00 0.00000e+00 0.00000e+00 9.71341e+00 247.050 2.07121e+01 67.050  0.8119 
1 1 1 15 9  0  o 1  1.34949e+02 3.72819e+01 1.47322e-01 90.000  1.59068e-19  2.59778e-03  0.00000e+00 0.00000e+00 1.29687e-01 90.000  1.76358e-02 270.000 0.0026 
1 1 1 15 9  2  o 2  7.41366e+01 2.61200e+01 5.88595e+01 238.039 -6.02840e-01 -9.66208e-01 0.00000e+00 0.00000e+00 2.99248e+01 58.039  8.87843e+01 58.039  0.4934 
1 1 1 15 9  3  o 3  1.01096e+02 2.61732e+01 2.63453e+01 252.909 -2.03565e-01 -6.62047e-01 0.00000e+00 0.00000e+00 1.57412e-01 72.909  2.65027e+01 72.909  0.3271 
1 1 1 15 9  4  o 19 1.03366e+02 2.58802e+01 1.27280e+01 59.205  1.71966e-01  2.88528e-01  0.00000e+00 0.00000e+00 8.53991e-01 59.205  1.18740e+01 239.205 0.1656 
1 1 1 15 9  5  o 9  1.74055e+02 2.04771e+01 5.17640e+01 138.726 -1.76339e+00 1.54776e+00  0.00000e+00 0.00000e+00 5.16501e+01 138.726 1.13936e-01 318.726 0.7472 
1 1 1 15 9  6  o 7  1.12238e+02 2.34499e+01 6.51348e+01 316.185 1.31065e+00  -1.25753e+00 0.00000e+00 0.00000e+00 5.60251e+00 136.185 7.07373e+01 136.185 0.6652 
1 1 1 15 9  7  o 16 1.16276e+02 2.33943e+01 5.61668e+01 347.582 1.57223e+00  -3.46201e-01 0.00000e+00 0.00000e+00 1.70577e+00 347.582 5.44610e+01 167.582 0.6221 
1 1 1 15 9  8  o 8  3.33112e+02 1.57379e+01 1.01116e+02 85.886  7.74470e-01  1.07681e+01  0.00000e+00 0.00000e+00 1.53676e+02 85.886  5.25592e+01 85.886  0.9525 
1 1 1 15 9  9  o 7  3.67319e+02 1.58876e+01 1.06237e+02 140.246 -9.74923e+00 8.10939e+00  0.00000e+00 0.00000e+00 1.78067e+02 140.246 7.18293e+01 140.246 0.9597 
1 1 1 15 9  10 o 16 2.31047e+02 1.69924e+01 7.67451e+01 317.478 4.77888e+00  -4.38234e+00 0.00000e+00 0.00000e+00 9.53708e+01 317.478 1.86256e+01 317.478 0.9193 
1 1 1 15 9  11 f 0  4.00248e+02 1.66535e+01 1.15471e+02 301.677 9.23072e+00  -1.49590e+01 0.00000e+00 0.00000e+00 2.01179e+02 301.677 8.57074e+01 301.677 0.9711 
1 1 1 15 9  12 o 4  1.76208e+02 2.82918e+01 6.79244e+01 195.196 -3.61479e+00 -9.81827e-01 0.00000e+00 0.00000e+00 5.52323e+01 195.196 1.26921e+01 15.196  0.8530 
1 1 1 15 9  13 o 18 1.34276e+02 2.61490e+01 7.15369e+01 164.115 -3.85533e+00 1.09716e+00  0.00000e+00 0.00000e+00 2.41085e+01 164.115 4.74284e+01 344.115 0.8638 
1 1 1 15 9  14 o 16 1.29504e+02 2.39180e+01 3.47497e+01 95.485  -1.98537e-01 2.06758e+00  0.00000e+00 0.00000e+00 4.15904e+01 95.485  6.84069e+00 95.485  0.7100 
1 1 1 15 9  15 o 17 1.05192e+02 2.69226e+01 3.08920e+01 279.527 2.52940e-01  -1.50716e+00 0.00000e+00 0.00000e+00 2.21590e+01 279.527 8.73299e+00 99.527  0.6030 
1 1 1 15 9  16 o 18 7.45975e+01 2.84447e+01 4.51593e+01 287.123 5.56687e-01  -1.80695e+00 0.00000e+00 0.00000e+00 2.46707e+00 107.123 4.76264e+01 107.123 0.6790 
1 1 1 15 9  17 o 4  5.31776e+01 2.57687e+01 3.41722e+01 338.519 1.12539e+00  -4.42861e-01 0.00000e+00 0.00000e+00 1.08654e+01 158.519 4.50376e+01 158.519 0.5157 
1 1 1 15 9  18 o 18 1.08216e+02 3.43650e+01 4.19763e+01 68.553  1.07645e+00  2.74018e+00  0.00000e+00 0.00000e+00 3.27897e+01 68.553  9.18660e+00 248.553 0.8058 
1 1 1 15 9  19 o 1  1.04447e+02 2.91587e+01 2.73510e+01 42.475  1.56537e+00  1.43315e+00  0.00000e+00 0.00000e+00 3.74525e+01 42.475  1.01016e+01 42.475  0.7169 
1 1 1 15 9  20 f 0  5.75190e+01 2.55144e+01 2.91938e+01 224.436 -1.04363e+00 -1.02327e+00 0.00000e+00 0.00000e+00 2.91375e-01 224.436 2.89025e+01 44.436  0.5865 
1 1 1 15 9  21 o 9  9.70577e+01 3.00799e+01 2.27827e+01 82.670  2.37928e-01  1.84954e+00  0.00000e+00 0.00000e+00 3.50115e+01 82.670  1.22288e+01 82.670  0.6743 
1 1 1 15 9  22 o 7  4.40450e+01 2.12330e+01 1.63917e+01 154.218 -8.44064e-01 4.07709e-01  0.00000e+00 0.00000e+00 2.70974e-01 154.218 1.61208e+01 334.218 0.4238 
1 1 1 15 9  23 o 5  1.12764e+02 3.16812e+01 2.62901e+01 213.203 -2.56704e+00 -1.68003e+00 0.00000e+00 0.00000e+00 5.66803e+01 213.203 3.03903e+01 213.203 0.8149 
1 1 1 15 9  24 o 7  7.56696e+01 2.94356e+01 4.32480e+01 326.450 3.26907e+00  -2.16788e+00 0.00000e+00 0.00000e+00 1.62450e+01 326.450 2.70030e+01 146.450 0.8605 
1 1 1 15 9  25 o 14 6.55147e+01 2.76682e+01 1.13961e+01 205.627 -1.00801e+00 -4.83533e-01 0.00000e+00 0.00000e+00 1.80966e+01 205.627 6.70051e+00 205.627 0.4866 
1 1 1 15 9  26 o 9  8.28290e+01 3.16569e+01 3.54251e+01 113.312 -1.62599e+00 3.77337e+00  0.00000e+00 0.00000e+00 3.19111e+01 113.312 3.51394e+00 293.312 0.8676 
1 1 1 15 10 0  o 7  6.93533e+01 3.74820e+01 1.59842e+01 90.000  8.63785e-18  1.41067e-01  0.00000e+00 0.00000e+00 8.22625e+00 270.000 2.42104e+01 270.000 0.1401 
1 1 1 15 10 1  o 6  9.62842e+01 2.56879e+01 3.76490e+01 67.770  3.50331e-01  8.57170e-01  0.00000e+00 0.00000e+00 5.39557e+00 247.770 4.30445e+01 247.770 0.4196 
1 1 1 15 10 2  o 17 9.99467e+01 2.60286e+01 3.06422e+01 261.861 -1.10350e-01 -7.71586e-01 0.00000e+00 0.00000e+00 1.66616e+00 81.861  3.23084e+01 81.861  0.3628 
1 1 1 15 10 3  o 6  8.17844e+01 2.65496e+01 2.97215e+01 256.981 -1.38537e-01 -5.99160e-01 0.00000e+00 0.00000e+00 1.04975e+01 76.981  4.02190e+01 76.981  0.2938 
1 1 1 15 10 4  o 11 3.94034e+02 2.67962e+01 1.26327e+02 88.400  3.40651e-01  1.21939e+01  0.00000e+00 0.00000e+00 1.76236e+02 88.400  4.99089e+01 88.400  0.9581 
1 1 1 15 10 5  o 1  2.19472e+02 1.92675e+01 1.08367e+02 98.731  -9.10719e-01 5.93030e+00  0.00000e+00 0.00000e+00 5.24769e+01 98.731  5.58900e+01 278.731 0.9124 
1 1 1 15 10 6  o 13 3.73102e+02 1.90657e+01 1.13310e+02 275.339 1.25218e+00  -1.33988e+01 0.00000e+00 0.00000e+00 1.75831e+02 275.339 6.25209e+01 275.339 0.9621 
1 1 1 15 10 7  o 11 3.93814e+02 1.94857e+01 1.29689e+02 310.506 1.07119e+01  -1.25392e+01 0.00000e+00 0.00000e+00 1.78764e+02 310.506 4.90741e+01 310.506 0.9692 
1 1 1 15 10 8  o 12 2.92604e+02 1.92024e+01 9.07672e+01 20.881  7.95303e+00  3.03400e+00  0.00000e+00 0.00000e+00 1.32183e+02 20.881  4.14155e+01 20.881  0.9393 
1 1 1 15 10 9  o 16 3.75821e+02 1.60998e+01 6.86288e+01 217.307 -7.55435e+00 -5.75638e+00 0.00000e+00 0.00000e+00 2.20952e+02 217.307 1.52323e+02 217.307 0.9458 
1 1 1 15 10 10 o 3  1.23568e+02 2.39875e+01 5.52685e+01 192.394 -2.43304e+00 -5.34669e-01 0.00000e+00 0.00000e+00 2.20150e+01 192.394 3.32534e+01 12.394  0.7640 
1 1 1 15 10 11 o 4  1.97130e+02 2.47693e+01 1.35841e+01 39.829  6.62333e-01  5.52405e-01  0.00000e+00 0.00000e+00 5.05838e+01 39.829  3.69997e+01 39.829  0.3955 
1 1 1 15 10 12 o 8  1.10097e+02 3.34540e+01 5.55537e+01 42.706  1.41826e+00  1.30898e+00  0.00000e+00 0.00000e+00 6.95665e+00 42.706  4.85971e+01 222.706 0.6859 
1 1 1 15 10 13 o 19 1.38679e+02 2.18689e+01 2.86558e+01 326.416 1.56572e+00  -1.03962e+00 0.00000e+00 0.00000e+00 4.95425e+01 326.416 2.08867e+01 326.416 0.6769 
1 1 1 15 10 14 o 6  3.15891e+02 1.53126e+01 9.80384e+01 220.650 -1.23217e+01 -1.05796e+01 0.00000e+00 0.00000e+00 1.58597e+02 220.650 6.05590e+01 220.650 0.9687 
1 1 1 15 10 15 o 19 7.97032e+01 2.87407e+01 5.45001e+01 111.044 -8.77794e-01 2.28151e+00  0.00000e+00 0.00000e+00 3.40456e+00 291.044 5.79046e+01 291.044 0.7588 
1 1 1 15 10 16 o 18 2.91624e+02 1.85818e+01 5.97254e+01 51.445  7.48045e+00  9.38557e+00  0.00000e+00 0.00000e+00 1.77997e+02 51.445  1.18271e+02 51.445  0.9574 
1 1 1 15 10 17 o 9  8.63144e+01 3.52608e+01 4.63452e+01 264.766 -2.33945e-01 -2.55367e+00 0.00000e+00 0.00000e+00 1.08517e+01 264.766 3.54935e+01 84.766  0.7718 
1 1 1 15 10 18 o 19 9.65218e+01 3.43497e+01 1.29528e+01 353.203 8.39519e-01  -1.00061e-01 0.00000e+00 0.00000e+00 1.95667e+01 353.203 6.61382e+00 353.203 0.3890 
1 1 1 15 10 19 o 18 6.35918e+01 2.87049e+01 2.79936e+01 44.074  1.00517e+00  9.73210e-01  0.00000e+00 0.00000e+00 3.70747e+00 44.074  2.42862e+01 224.074 0.5702 
1 1 1 15 10 20 o 2  1.17619e+02 2.82938e+01 4.47685e+01 285.163 1.16138e+00  -4.28544e+00 0.00000e+00 0.00000e+00 4.64681e+01 285.163 1.69960e+00 285.163 0.8785 
1 1 1 15 10 21 o 18 7.67446e+01 2.91281e+01 4.01898e+01 168.496 -3.29409e+00 6.70422e-01  0.00000e+00 0.00000e+00 1.68780e+01 168.496 2.33117e+01 348.496 0.8335 
1 1 1 15 10 22 o 17 8.43008e+01 3.00690e+01 3.99483e+01 73.899  9.47372e-01  3.28204e+00  0.00000e+00 0.00000e+00 2.36544e+01 73.899  1.62939e+01 253.899 0.8366 
1 1 1 15 10 23 o 14 8.65491e+01 3.16684e+01 2.45407e+01 8.164   2.40478e+00  3.44999e-01  0.00000e+00 0.00000e+00 3.52274e+01 8.164   1.06867e+01 8.164   0.7571 
1 1 1 15 10 24 o 7  6.85184e+01 2.92274e+01 2.35642e+01 200.347 -2.08075e+00 -7.71640e-01 0.00000e+00 0.00000e+00 2.26462e+01 200.347 9.17929e-01 20.347  0.7307 
1 1 1 15 10 25 o 3  6.26304e+01 2.71179e+01 2.82938e+01 269.240 -3.72357e-02 -2.80853e+00 0.00000e+00 0.00000e+00 1.82229e+01 269.240 1.00709e+01 89.240  0.7948 
1 1 1 15 11 0  o 1  5.93699e+01 3.38256e+01 2.80695e+01 270.000 -1.26777e-17 -2.07043e-01 0.00000e+00 0.00000e+00 1.82866e+01 90.000  4.63560e+01 90.000  0.2041 
1 1 1 15 11 1  o 18 1.61902e+02 2.02507e+01 3.36216e+01 183.576 -1.37137e+00 -8.57013e-02 0.00000e+00 0.00000e+00 4.00293e+01 183.576 6.40765e+00 183.576 0.5634 
1 1 1 15 11 2  o 10 6.13886e+01 2.45244e+01 2.89845e+01 319.258 3.33170e-01  -2.86996e-01 0.00000e+00 0.00000e+00 1.83337e+01 139.258 4.73181e+01 139.258 0.2147 
1 1 1 15 11 3  o 1  1.23276e+02 2.55354e+01 4.52565e+01 48.623  1.13877e+00  1.29272e+00  0.00000e+00 0.00000e+00 1.92298e+01 48.623  2.60267e+01 228.623 0.6466 
1 1 1 15 11 4  o 7  1.14782e+02 2.68417e+01 7.38785e+01 255.226 -6.59330e-01 -2.50006e+00 0.00000e+00 0.00000e+00 1.87642e+00 75.226  7.57550e+01 75.226  0.7740 
1 1 1 15 11 5  o 2  3.39489e+02 1.90991e+01 7.84485e+01 295.473 3.72250e+00  -7.81378e+00 0.00000e+00 0.00000e+00 1.80865e+02 295.473 1.02416e+02 295.473 0.9403 
1 1 1 15 11 6  o 13 2.12985e+02 1.99951e+01 1.42765e+02 10.753  9.60076e+00  1.82321e+00  0.00000e+00 0.00000e+00 2.15941e+01 10.753  1.21171e+02 190.753 0.9474 
1 1 1 15 11 7  o 6  1.81207e+02 1.87070e+01 7.76034e+01 178.469 -5.15321e+00 1.37719e-01  0.00000e+00 0.00000e+00 5.52122e+01 178.469 2.23913e+01 358.469 0.8969 
1 1 1 15 11 8  o 5  3.74808e+02 1.62048e+01 1.61342e+02 172.559 -2.32043e+01 3.03051e+00  0.00000e+00 0.00000e+00 1.39484e+02 172.559 2.18577e+01 352.559 0.9784 
1 1 1 15 11 9  f 0  3.36344e+02 1.64835e+01 7.12445e+01 297.848 4.28461e+00  -8.10987e+00 0.00000e+00 0.00000e+00 1.90284e+02 297.848 1.19040e+02 297.848 0.9438 
1 1 1 15 11 10 o 4  1.84169e+02 1.94640e+01 8.39150e+01 307.075 3.10591e+00  -4.11049e+00 0.00000e+00 0.00000e+00 5.28086e+01 307.075 3.11064e+01 127.075 0.8968 
1 1 1 15 11 11 o 16 9.22412e+01 3.23889e+01 1.05226e+01 252.485 -9.33193e-02 -2.95693e-01 0.00000e+00 0.00000e+00 1.23775e+00 252.485 9.28490e+00 72.485  0.1532 
1 1 1 15 11 12 o 11 1.63315e+02 3.03536e+01 6.81737e+01 91.431  -1.21363e-01 4.85965e+00  0.00000e+00 0.00000e+00 5.35012e+01 91.431  1.46725e+01 271.431 0.8901 
1 1 1 15 11 13 o 4  1.40002e+02 2.71011e+01 6.82652e+01 95.227  -4.13348e-01 4.51863e+00  0.00000e+00 0.00000e+00 3.56817e+01 95.227  3.25834e+01 275.227 0.8814 
1 1 1 15 11 14 f 0  8.57238e+01 2.81669e+01 1.63412e+01 213.321 -5.86379e-01 -3.85491e-01 0.00000e+00 0.00000e+00 7.71674e+00 213.321 8.62447e+00 33.321  0.3309 
1 1 1 15 11 15 o 1  1.80005e+02 2.03733e+01 7.76075e+01 277.184 1.18771e+00  -9.42265e+00 0.00000e+00 0.00000e+00 6.78397e+01 277.184 9.76776e+00 97.184  0.9458 
1 1 1 15 11 16 o 11 1.11910e+02 3.05163e+01 3.11644e+01 23.346  1.98096e+00  8.55013e-01  0.00000e+00 0.00000e+00 3.84092e+01 23.346  7.24482e+00 23.346  0.7220 
1 1 1 15 11 17 o 11 1.48021e+02 2.77415e+01 5.16194e+01 68.919  2.19534e+00  5.69487e+00  0.00000e+00 0.00000e+00 6.58360e+01 68.919  1.42167e+01 68.919  0.9139 
1 1 1 15 11 18 o 9  9.19325e+01 3.40550e+01 2.73444e+01 259.602 -3.21555e-01 -1.75235e+00 0.00000e+00 0.00000e+00 2.56779e+01 259.602 1.66652e+00 79.602  0.6584 
1 1 1 15 11 19 o 6  8.98093e+01 3.40364e+01 5.00204e+01 218.225 -2.64155e+00 -2.08057e+00 0.00000e+00 0.00000e+00 1.61697e+01 218.225 3.38507e+01 38.225  0.8336 
1 1 1 15 11 20 o 8  1.61064e+02 2.30682e+01 2.50859e+01 65.742  1.86182e+00  4.13156e+00  0.00000e+00 0.00000e+00 1.01648e+02 65.742  7.65619e+01 65.742  0.8813 
1 1 1 15 11 21 o 4  5.67678e+01 2.55661e+01 1.85769e+01 301.504 6.41619e-01  -1.04688e+00 0.00000e+00 0.00000e+00 8.12193e+00 301.504 1.04550e+01 121.504 0.5213 
1 1 1 15 11 22 f 0  1.04852e+02 3.00408e+01 7.09438e+00 356.321 8.06971e-01  -5.18937e-02 0.00000e+00 0.00000e+00 2.87178e+01 356.321 2.16234e+01 356.321 0.3745 
1 1 1 15 11 23 o 13 5.51115e+01 2.57608e+01 2.89896e+01 61.950  1.01503e+00  1.90497e+00  0.00000e+00 0.00000e+00 7.72146e+00 61.950  2.12681e+01 241.950 0.7222 
1 1 1 15 11 24 o 8  8.30245e+01 3.21085e+01 4.29281e+01 178.056 -4.49970e+00 1.52742e-01  0.00000e+00 0.00000e+00 2.52982e+01 178.056 1.76299e+01 358.056 0.8804 
1 1 1 15 11 25 o 11 5.05712e+01 2.37456e+01 9.63601e+00 248.876 -3.44266e-01 -8.91093e-01 0.00000e+00 0.00000e+00 1.09290e+01 248.876 1.29300e+00 248.876 0.4303 
1 1 1 15 12 0  o 17 4.09025e+02 2.71929e+01 1.14258e+02 90.000  4.66625e-16  7.62056e+00  0.00000e+00 0.00000e+00 2.19982e+02 90.000  1.05724e+02 90.000  1.0000 
1 1 1 15 12 1  o 17 9.40136e+01 2.68118e+01 4.78460e+01 204.248 -1.27733e+00 -5.75348e-01 0.00000e+00 0.00000e+00 3.99350e+00 24.248  5.18395e+01 24.248  0.5707 
1 1 1 15 12 2  o 12 1.16694e+02 2.59564e+01 5.89943e+01 293.897 8.72027e-01  -1.96815e+00 0.00000e+00 0.00000e+00 9.85901e+00 293.897 4.91353e+01 113.897 0.7213 
1 1 1 15 12 4  o 5  6.13063e+01 2.56956e+01 2.74733e+01 80.821  8.35756e-02  5.17232e-01  0.00000e+00 0.00000e+00 1.47286e+01 260.821 4.22019e+01 260.821 0.2534 
1 1 1 15 12 5  o 8  4.54986e+02 2.03393e+01 1.37058e+02 301.922 1.20151e+01  -1.92862e+01 0.00000e+00 0.00000e+00 2.28764e+02 301.922 9.17058e+01 301.922 0.9777 
1 1 1 15 12 6  o 14 1.17800e+02 2.44956e+01 1.63474e+01 326.773 5.67541e-01  -3.71768e-01 0.00000e+00 0.00000e+00 1.48442e+01 326.773 1.50316e+00 146.773 0.3211 
1 1 1 15 12 7  o 2  7.39285e+01 2.66982e+01 5.88524e+00 77.192  3.47729e-02  1.52952e-01  0.00000e+00 0.00000e+00 1.10309e+00 257.192 6.98833e+00 257.192 0.0782 
1 1 1 15 12 8  o 16 2.52315e+02 1.71067e+01 6.36647e+01 218.124 -4.30730e+00 -3.38029e+00 0.00000e+00 0.00000e+00 1.25622e+02 218.124 6.19570e+01 218.124 0.9034 
1 1 1 15 12 9  o 4  2.72596e+02 1.70998e+01 9.38441e+01 143.154 -7.36009e+00 5.51522e+00  0.00000e+00 0.00000e+00 1.20768e+02 143.154 2.69243e+01 143.154 0.9440 
1 1 1 15 12 10 o 8  1.70095e+02 2.13785e+01 7.56890e+01 88.569  1.41193e-01  5.65026e+00  0.00000e+00 0.00000e+00 5.35415e+01 88.569  2.21475e+01 268.569 0.9066 
1 1 1 15 12 11 o 11 1.20601e+02 3.23398e+01 6.23782e+01 338.276 2.98900e+00  -1.19094e+00 0.00000e+00 0.00000e+00 2.14314e+01 338.276 4.09468e+01 158.276 0.8249 
1 1 1 15 12 12 o 16 2.42536e+02 2.35183e+01 1.09555e+02 277.876 1.80012e+00  -1.30131e+01 0.00000e+00 0.00000e+00 8.79819e+01 277.876 2.15730e+01 97.876  0.9612 
1 1 1 15 12 13 o 5  8.58984e+01 3.17864e+01 3.48101e+01 215.319 -1.17245e+00 -8.30711e-01 0.00000e+00 0.00000e+00 7.68511e+00 215.319 2.71250e+01 35.319  0.5801 
1 1 1 15 12 14 o 12 1.23802e+02 3.25833e+01 4.42033e+01 64.913  1.33294e+00  2.84719e+00  0.00000e+00 0.00000e+00 4.29646e+01 64.913  1.23867e+00 244.913 0.8201 
1 1 1 15 12 15 o 19 2.07371e+02 1.94050e+01 5.33051e+01 353.926 8.02780e+00  -8.54291e-01 0.00000e+00 0.00000e+00 1.14538e+02 353.926 6.12329e+01 353.926 0.9358 
1 1 1 15 12 16 o 10 7.42916e+01 2.94235e+01 2.43426e+01 152.540 -1.24630e+00 6.47676e-01  0.00000e+00 0.00000e+00 1.26749e+01 152.540 1.16677e+01 332.540 0.5716 
1 1 1 15 12 17 o 7  1.27869e+02 2.76097e+01 3.44516e+01 173.744 -3.37242e+00 3.69721e-01  0.00000e+00 0.00000e+00 5.94263e+01 173.744 2.49747e+01 173.744 0.8353 
1 1 1 15 12 18 o 11 6.99612e+01 3.03900e+01 2.22775e+01 1.767   1.23669e+00  3.81554e-02  0.00000e+00 0.00000e+00 1.02408e+01 1.767   1.20367e+01 181.767 0.5242 
1 1 1 15 12 19 o 2  1.71661e+02 2.94649e+01 4.97806e+01 278.489 1.08667e+00  -7.28068e+00 0.00000e+00 0.00000e+00 9.30110e+01 278.489 4.32304e+01 278.489 0.9294 
1 1 1 15 12 20 o 12 1.13639e+02 2.93876e+01 3.74042e+01 163.999 -4.41533e+00 1.26616e+00  0.00000e+00 0.00000e+00 5.32963e+01 163.999 1.58920e+01 163.999 0.8830 
1 1 1 15 12 21 o 15 5.89441e+01 2.59983e+01 2.60011e+01 60.574  8.53672e-01  1.51341e+00  0.00000e+00 0.00000e+00 8.96974e+00 60.574  1.70313e+01 240.574 0.6496 
1 1 1 15 12 22 o 1  1.08902e+02 2.88158e+01 2.18891e+01 349.378 2.94163e+00  -5.51670e-01 0.00000e+00 0.00000e+00 5.94967e+01 349.378 3.76076e+01 349.378 0.8095 
1 1 1 15 12 23 o 10 9.21113e+01 3.06049e+01 4.11311e+01 103.796 -1.17729e+00 4.79442e+00  0.00000e+00 0.00000e+00 3.55827e+01 103.796 5.54838e+00 283.796 0.8919 
1 1 1 15 12 24 o 9  4.84853e+01 2.33821e+01 1.50197e+01 275.845 1.36650e-01  -1.33497e+00 0.00000e+00 0.00000e+00 1.03873e+01 275.845 4.63246e+00 95.845  0.5546 
1 1 1 15 13 0  o 18 2.55504e+02 2.59548e+01 8.91171e+01 270.000 -2.57819e-16 -4.21050e+00 0.00000e+00 0.00000e+00 1.22380e+02 270.000 3.32628e+01 270.000 0.9996 
1 1 1 15 13 1  o 4  9.63453e+01 2.58508e+01 7.23593e+01 83.459  2.79367e-01  2.43642e+00  0.00000e+00 0.00000e+00 1.17291e+01 263.459 8.40884e+01 263.459 0.7597 
1 1 1 15 13 2  o 18 3.96798e+02 1.91057e+01 1.24586e+02 37.290  1.44500e+01  1.10041e+01  0.00000e+00 0.00000e+00 1.95159e+02 37.290  7.05725e+01 37.290  0.9721 
1 1 1 15 13 4  o 5  3.41597e+02 2.08019e+01 8.62248e+01 241.637 -5.30426e+00 -9.82509e+00 0.00000e+00 0.00000e+00 1.84772e+02 241.637 9.85467e+01 241.637 0.9541 
1 1 1 15 13 5  o 4  1.50639e+02 1.83796e+01 5.21789e+01 13.639  2.92502e+00  7.09730e-01  0.00000e+00 0.00000e+00 4.95962e+01 13.639  2.58273e+00 193.639 0.8107 
1 1 1 15 13 6  o 19 1.73018e+02 2.00031e+01 1.01396e+02 197.729 -5.63823e+00 -1.80255e+00 0.00000e+00 0.00000e+00 3.03358e+01 197.729 7.10605e+01 17.729  0.9111 
1 1 1 15 13 7  o 8  1.38395e+02 2.36019e+01 7.32663e+01 176.202 -3.52233e+00 2.33826e-01  0.00000e+00 0.00000e+00 2.45109e+01 176.202 4.87554e+01 356.202 0.8427 
1 1 1 15 13 8  o 2  4.05703e+02 2.04784e+01 1.17872e+02 356.622 1.68287e+01  -9.93201e-01 0.00000e+00 0.00000e+00 2.13282e+02 356.622 9.54103e+01 356.622 0.9699 
1 1 1 15 13 9  o 18 7.41673e+01 2.79700e+01 3.57155e+01 327.155 9.21541e-01  -5.94909e-01 0.00000e+00 0.00000e+00 5.64627e+00 147.155 4.13617e+01 147.155 0.4797 
1 1 1 15 13 10 o 19 2.83415e+02 2.16095e+01 8.57740e+01 113.233 -4.58436e+00 1.06790e+01  0.00000e+00 0.00000e+00 1.44323e+02 113.233 5.85493e+01 113.233 0.9560 
1 1 1 15 13 11 o 4  1.22406e+02 3.30353e+01 4.07337e+01 165.233 -2.14439e+00 5.65234e-01  0.00000e+00 0.00000e+00 3.56064e+01 165.233 5.12734e+00 345.233 0.7305 
1 1 1 15 13 12 o 5  1.32629e+02 2.82442e+01 4.17483e+01 273.289 1.59973e-01  -2.78395e+00 0.00000e+00 0.00000e+00 4.85770e+01 273.289 6.82868e+00 273.289 0.7930 
1 1 1 15 13 13 o 6  1.10110e+02 3.23209e+01 3.19532e+01 276.485 2.29747e-01  -2.02116e+00 0.00000e+00 0.00000e+00 3.49703e+01 276.485 3.01706e+00 276.485 0.7033 
1 1 1 15 13 14 o 2  6.20170e+01 2.76812e+01 2.32745e+01 212.855 -7.91294e-01 -5.11029e-01 0.00000e+00 0.00000e+00 3.17147e-01 32.855  2.35916e+01 32.855  0.4254 
1 1 1 15 13 15 o 7  1.24057e+02 2.94572e+01 3.60502e+01 322.362 2.75778e+00  -2.12672e+00 0.00000e+00 0.00000e+00 5.53063e+01 322.362 1.92561e+01 322.362 0.8402 
1 1 1 15 13 16 o 12 1.01471e+02 3.09772e+01 3.08272e+01 15.343  2.18609e+00  5.99797e-01  0.00000e+00 0.00000e+00 3.52405e+01 15.343  4.41330e+00 15.343  0.7371 
1 1 1 15 13 17 o 8  1.06597e+02 2.99612e+01 4.26630e+01 215.317 -2.98562e+00 -2.11529e+00 0.00000e+00 0.00000e+00 3.79492e+01 215.317 4.71383e+00 35.317  0.8490 
1 1 1 15 13 18 o 7  8.21852e+01 3.07387e+01 4.66169e+01 179.937 -3.21961e+00 3.51948e-03  0.00000e+00 0.00000e+00 1.43126e+01 179.937 3.23044e+01 359.937 0.8250 
1 1 1 15 13 19 o 11 1.71124e+02 2.85460e+01 7.95421e+01 43.023  1.10619e+01  1.03236e+01  0.00000e+00 0.00000e+00 7.04569e+01 43.023  9.08516e+00 223.023 0.9664 
1 1 1 15 13 20 o 5  1.03915e+02 3.08621e+01 1.55923e+01 293.772 6.50547e-01  -1.47694e+00 0.00000e+00 0.00000e+00 4.37145e+01 293.772 2.81222e+01 293.772 0.6230 
1 1 1 15 13 21 o 6  1.25384e+02 3.13306e+01 2.44500e+01 197.550 -3.38618e+00 -1.07089e+00 0.00000e+00 0.00000e+00 7.34653e+01 197.550 4.90153e+01 197.550 0.8437 
1 1 1 15 13 22 o 12 1.15667e+02 2.91140e+01 2.20019e+01 93.522  -2.18079e-01 3.54294e+00  0.00000e+00 0.00000e+00 6.93003e+01 93.522  4.72984e+01 93.522  0.8437 
1 1 1 15 13 23 o 11 6.32772e+01 2.70790e+01 3.43559e+01 220.700 -2.51817e+00 -2.16600e+00 0.00000e+00 0.00000e+00 1.54169e+01 220.700 1.89390e+01 40.700  0.8312 
1 1 1 15 13 24 o 5  9.47469e+01 3.27892e+01 3.49284e+01 338.162 4.07258e+00  -1.63202e+00 0.00000e+00 0.00000e+00 4.46343e+01 338.162 9.70591e+00 338.162 0.8769 
1 1 1 15 14 0  o 12 6.11974e+01 3.54739e+01 1.46411e+01 270.000 -9.03851e-18 -1.47610e-01 0.00000e+00 0.00000e+00 7.10644e+00 90.000  2.17475e+01 90.000  0.1465 
1 1 1 15 14 1  o 14 1.60163e+02 2.14084e+01 2.73086e+01 60.162  7.34006e-01  1.27967e+00  0.00000e+00 0.00000e+00 5.20946e+01 60.162  2.47860e+01 60.162  0.5900 
1 1 1 15 14 2  o 6  1.53937e+02 2.30391e+01 4.68531e+01 86.969  1.27112e-01  2.40070e+00  0.00000e+00 0.00000e+00 5.07773e+01 86.969  3.92423e+00 86.969  0.7541 
1 1 1 15 14 3  o 11 3.60928e+02 1.93778e+01 1.18523e+02 173.921 -1.44554e+01 1.53938e+00  0.00000e+00 0.00000e+00 1.74748e+02 173.921 5.62247e+01 173.921 0.9650 
1 1 1 15 14 4  o 3  2.61236e+02 2.26636e+01 1.47058e+02 309.204 8.06204e+00  -9.88374e+00 0.00000e+00 0.00000e+00 6.44803e+01 309.204 8.25779e+01 129.204 0.9600 
1 1 1 15 14 5  o 17 2.19135e+02 2.42743e+01 7.10215e+01 291.015 1.93740e+00  -5.04306e+00 0.00000e+00 0.00000e+00 9.60801e+01 291.015 2.50587e+01 291.015 0.9019 
1 1 1 15 14 6  o 18 3.31247e+02 1.98763e+01 1.01259e+02 150.495 -1.31306e+01 7.43051e+00  0.00000e+00 0.00000e+00 1.70099e+02 150.495 6.88399e+01 150.495 0.9663 
1 1 1 15 14 7  o 3  1.72912e+02 2.16119e+01 6.44939e+01 89.022  8.39211e-02  4.91542e+00  0.00000e+00 0.00000e+00 6.66098e+01 89.022  2.11592e+00 89.022  0.8914 
1 1 1 15 14 8  o 4  2.25113e+02 1.90170e+01 4.13770e+01 54.333  2.67420e+00  3.72611e+00  0.00000e+00 0.00000e+00 1.28303e+02 54.333  8.69261e+01 54.333  0.8828 
1 1 1 15 14 9  o 16 1.89878e+02 2.01219e+01 7.35822e+01 315.361 5.13308e+00  -5.06884e+00 0.00000e+00 0.00000e+00 7.74855e+01 315.361 3.90338e+00 315.361 0.9278 
1 1 1 15 14 10 o 6  1.14108e+02 3.21167e+01 5.18885e+01 273.076 1.53703e-01  -2.86067e+00 0.00000e+00 0.00000e+00 2.67114e+01 273.076 2.51771e+01 93.076  0.7995 
1 1 1 15 14 11 f 0  1.20989e+02 3.23586e+01 3.86933e+01 248.865 -9.11000e-01 -2.35659e+00 0.00000e+00 0.00000e+00 4.17750e+01 248.865 3.08167e+00 248.865 0.7679 
1 1 1 15 14 12 o 12 1.57884e+02 2.56822e+01 4.87288e+01 163.341 -4.72261e+00 1.41316e+00  0.00000e+00 0.00000e+00 7.39271e+01 163.341 2.51983e+01 163.341 0.8917 
1 1 1 15 14 13 o 2  6.52993e+01 2.84441e+01 1.68102e+01 116.364 -3.14911e-01 6.35376e-01  0.00000e+00 0.00000e+00 2.31085e+00 116.364 1.44994e+01 296.364 0.3340 
1 1 1 15 14 14 o 17 6.94938e+01 2.93899e+01 2.15427e+01 340.605 1.10320e+00  -3.88386e-01 0.00000e+00 0.00000e+00 9.32832e+00 340.605 1.22144e+01 160.605 0.5033 
1 1 1 15 14 15 o 2  8.28195e+01 3.33883e+01 1.31777e+01 38.221  5.93165e-01  4.67132e-01  0.00000e+00 0.00000e+00 1.28133e+01 38.221  3.64425e-01 218.221 0.3529 
1 1 1 15 14 16 o 6  7.07248e+01 2.91111e+01 2.53491e+01 152.976 -1.31260e+00 6.69496e-01  0.00000e+00 0.00000e+00 1.20145e+01 152.976 1.33346e+01 332.976 0.5895 
1 1 1 15 14 17 o 11 7.59689e+01 2.89001e+01 3.65929e+00 309.846 1.49602e-01  -1.79262e-01 0.00000e+00 0.00000e+00 4.30092e+00 309.846 6.41634e-01 309.846 0.1160 
1 1 1 15 14 18 o 1  7.87008e+01 2.99183e+01 2.64293e+01 275.990 2.06229e-01  -1.96537e+00 0.00000e+00 0.00000e+00 2.33513e+01 275.990 3.07795e+00 95.990  0.6938 
1 1 1 15 14 19 o 12 8.80645e+01 3.36168e+01 4.70757e+01 144.426 -3.13678e+00 2.24359e+00  0.00000e+00 0.00000e+00 2.24362e+01 144.426 2.46395e+01 324.426 0.8578 
1 1 1 15 14 20 o 11 7.83463e+01 3.14750e+01 4.23450e+01 11.759  3.38364e+00  7.04329e-01  0.00000e+00 0.00000e+00 1.87246e+01 11.759  2.36204e+01 191.759 0.8388 
1 1 1 15 14 21 o 10 8.54720e+01 3.01865e+01 3.72833e+01 353.667 3.70920e+00  -4.11693e-01 0.00000e+00 0.00000e+00 3.11230e+01 353.667 6.16030e+00 173.667 0.8524 
1 1 1 15 14 22 o 13 8.92562e+01 3.06977e+01 3.15600e+01 135.076 -2.57516e+00 2.56836e+00  0.00000e+00 0.00000e+00 4.02801e+01 135.076 8.72002e+00 135.076 0.8480 
1 1 1 15 14 23 o 16 7.33699e+01 2.87942e+01 3.71314e+01 262.046 -5.92049e-01 -4.23755e+00 0.00000e+00 0.00000e+00 2.43918e+01 262.046 1.27396e+01 82.046  0.8734 
1 1 1 15 15 0  o 7  3.73858e+02 2.78852e+01 2.03693e+02 90.000  8.35388e-16  1.36429e+01  0.00000e+00 0.00000e+00 1.15292e+02 90.000  8.84007e+01 270.000 1.0000 
1 1 1 15 15 1  o 14 2.15376e+02 1.98972e+01 7.18903e+01 318.455 4.14552e+00  -3.67350e+00 0.00000e+00 0.00000e+00 9.43745e+01 318.455 2.24841e+01 318.455 0.9045 
1 1 1 15 15 2  o 9  3.84445e+02 1.94854e+01 1.69030e+02 236.102 -1.64363e+01 -2.44620e+01 0.00000e+00 0.00000e+00 1.53701e+02 236.102 1.53291e+01 56.102  0.9829 
1 1 1 15 15 3  f 0  2.49746e+02 2.01089e+01 1.27261e+02 221.419 -1.07306e+01 -9.46663e+00 0.00000e+00 0.00000e+00 7.87096e+01 221.419 4.85518e+01 41.419  0.9644 
1 1 1 15 15 4  o 5  1.81310e+02 2.67021e+01 8.64130e+01 33.713  5.51980e+00  3.68300e+00  0.00000e+00 0.00000e+00 5.66751e+01 33.713  2.97379e+01 213.713 0.9212 
1 1 1 15 15 5  o 18 5.72824e+01 2.52836e+01 2.39666e+01 41.013  4.85772e-01  4.22473e-01  0.00000e+00 0.00000e+00 8.90195e+00 221.013 3.28686e+01 221.013 0.3063 
1 1 1 15 15 6  o 16 1.65421e+02 2.96567e+01 5.55171e+01 158.757 -3.80927e+00 1.48077e+00  0.00000e+00 0.00000e+00 6.79379e+01 158.757 1.24208e+01 158.757 0.8668 
1 1 1 15 15 7  o 6  2.30367e+02 1.87058e+01 7.57377e+01 35.392  7.47364e+00  5.30969e+00  0.00000e+00 0.00000e+00 1.12073e+02 35.392  3.63351e+01 35.392  0.9438 
1 1 1 15 15 8  o 18 1.07435e+02 2.89996e+01 2.36337e+01 303.601 7.11954e-01  -1.07153e+00 0.00000e+00 0.00000e+00 2.65556e+01 303.601 2.92186e+00 303.601 0.5388 
1 1 1 15 15 9  o 17 1.96957e+02 2.02490e+01 7.51317e+01 201.554 -8.80041e+00 -3.47619e+00 0.00000e+00 0.00000e+00 8.70516e+01 201.554 1.19199e+01 201.554 0.9456 
1 1 1 15 15 10 o 19 1.21266e+02 3.18906e+01 6.47475e+01 243.439 -1.90546e+00 -3.81161e+00 0.00000e+00 0.00000e+00 2.78722e+01 243.439 3.68753e+01 63.439  0.8729 
1 1 1 15 15 11 o 1  1.29066e+02 3.20191e+01 6.06282e+01 281.114 9.26359e-01  -4.71546e+00 0.00000e+00 0.00000e+00 4.02668e+01 281.114 2.03614e+01 101.114 0.8887 
1 1 1 15 15 12 o 19 1.14573e+02 2.96247e+01 2.88294e+01 103.524 -5.58383e-01 2.32147e+00  0.00000e+00 0.00000e+00 4.74233e+01 103.524 1.85939e+01 103.524 0.7522 
1 1 1 15 15 13 o 7  1.97264e+02 2.20984e+01 6.92259e+01 88.758  2.66180e-01  1.22746e+01  0.00000e+00 0.00000e+00 9.91012e+01 88.758  2.98753e+01 88.758  0.9584 
1 1 1 15 15 14 o 2  1.05527e+02 3.20549e+01 2.83075e+01 354.796 2.11675e+00  -1.92793e-01 0.00000e+00 0.00000e+00 3.95541e+01 354.796 1.12465e+01 354.796 0.7173 
1 1 1 15 15 15 o 14 6.88873e+01 3.04689e+01 7.55791e+00 243.709 -1.84331e-01 -3.73118e-01 0.00000e+00 0.00000e+00 5.11416e+00 243.709 2.44375e+00 63.709  0.2037 
1 1 1 15 15 16 o 9  5.23342e+01 2.41274e+01 3.25951e+01 162.819 -1.51945e+00 4.69790e-01  0.00000e+00 0.00000e+00 3.17343e+00 342.819 3.57685e+01 342.819 0.6177 
1 1 1 15 15 17 o 6  6.67354e+01 2.78119e+01 2.31242e+01 297.142 7.07839e-01  -1.38071e+00 0.00000e+00 0.00000e+00 1.41513e+01 297.142 8.97291e+00 117.143 0.6086 
1 1 1 15 15 18 o 3  1.02919e+02 3.31366e+01 5.48262e+01 11.985  5.21314e+00  1.10664e+00  0.00000e+00 0.00000e+00 3.09819e+01 11.985  2.38443e+01 191.985 0.9005 
1 1 1 15 15 19 o 16 4.74419e+01 2.30817e+01 3.66198e+01 219.053 -1.81291e+00 -1.47087e+00 0.00000e+00 0.00000e+00 3.55628e+00 39.053  4.01761e+01 39.053  0.7457 
1 1 1 15 15 20 o 1  9.42291e+01 3.34155e+01 4.02399e+01 187.848 -3.95777e+00 -5.45553e-01 0.00000e+00 0.00000e+00 3.65383e+01 187.848 3.70167e+00 7.848   0.8633 
1 1 1 15 15 21 o 17 7.29453e+01 3.09464e+01 2.29425e+01 37.916  1.69102e+00  1.31718e+00  0.00000e+00 0.00000e+00 2.71396e+01 37.916  4.19704e+00 37.916  0.7200 
1 1 1 15 15 22 o 16 9.15765e+01 3.06137e+01 2.45794e+01 296.596 1.37919e+00  -2.75469e+00 0.00000e+00 0.00000e+00 4.74363e+01 296.596 2.28569e+01 296.596 0.8158 
1 1 1 15 15 23 o 12 5.88245e+01 2.61848e+01 1.82658e+01 319.693 1.43367e+00  -1.21616e+00 0.00000e+00 0.00000e+00 2.05655e+01 319.693 2.29969e+00 319.693 0.6771 
1 1 1 15 16 0  o 2  8.01755e+01 4.16539e+01 8.96074e+00 90.000  9.86161e-18  1.61052e-01  0.00000e+00 0.00000e+00 2.14427e+00 90.000  6.81648e+00 270.000 0.1597 
1 1 1 15 16 1  o 2  2.61643e+02 1.93291e+01 7.98373e+01 180.315 -1.03553e+01 -5.68922e-02 0.00000e+00 0.00000e+00 1.35925e+02 180.315 5.60879e+01 180.315 0.9504 
1 1 1 15 16 2  o 5  9.36685e+01 2.90351e+01 2.59034e+01 174.569 -1.08613e+00 1.03261e-01  0.00000e+00 0.00000e+00 1.29513e+01 174.569 1.29521e+01 354.569 0.4777 
1 1 1 15 16 3  o 16 3.59905e+02 2.00288e+01 1.16055e+02 322.005 1.72376e+01  -1.34651e+01 0.00000e+00 0.00000e+00 1.89614e+02 322.005 7.35589e+01 322.005 0.9769 
1 1 1 15 16 4  o 14 1.76782e+02 2.45939e+01 5.55446e+01 250.397 -1.64341e+00 -4.61449e+00 0.00000e+00 0.00000e+00 8.16372e+01 250.397 2.60925e+01 250.397 0.8910 
1 1 1 15 16 5  o 18 1.80175e+02 2.80335e+01 9.17781e+01 130.746 -5.15973e+00 5.98891e+00  0.00000e+00 0.00000e+00 5.51890e+01 130.746 3.65891e+01 310.746 0.9344 
1 1 1 15 16 6  o 10 3.84029e+02 2.07758e+01 1.03802e+02 23.235  2.04428e+01  8.77680e+00  0.00000e+00 0.00000e+00 2.24717e+02 23.235  1.20915e+02 23.235  0.9773 
1 1 1 15 16 7  o 10 1.18932e+02 2.69435e+01 1.12020e+01 343.315 7.52406e-01  -2.25523e-01 0.00000e+00 0.00000e+00 2.69501e+01 343.315 1.57480e+01 343.315 0.3653 
1 1 1 15 16 8  o 19 2.50486e+02 1.79983e+01 6.96997e+01 206.657 -1.02000e+01 -5.12056e+00 0.00000e+00 0.00000e+00 1.41211e+02 206.657 7.15116e+01 206.657 0.9551 
1 1 1 15 16 9  o 18 1.30616e+02 2.96623e+01 5.50225e+01 201.882 -4.04698e+00 -1.62538e+00 0.00000e+00 0.00000e+00 4.62903e+01 201.882 8.73215e+00 21.882  0.8761 
1 1 1 15 16 10 o 18 1.15681e+02 3.15594e+01 4.67220e+01 194.135 -3.23708e+00 -8.15217e-01 0.00000e+00 0.00000e+00 3.89172e+01 194.135 7.80482e+00 14.135  0.8322 
1 1 1 15 16 11 o 11 1.15660e+02 2.87431e+01 2.09439e+01 81.171  2.72898e-01  1.75695e+00  0.00000e+00 0.00000e+00 4.70911e+01 81.171  2.61472e+01 81.171  0.6577 
1 1 1 15 16 12 o 10 1.25448e+02 2.86321e+01 5.00547e+01 38.444  3.78187e+00  3.00223e+00  0.00000e+00 0.00000e+00 5.02920e+01 38.444  2.37316e-01 38.444  0.8893 
1 1 1 15 16 13 o 12 9.12287e+01 3.56024e+01 4.96556e+01 341.051 2.95926e+00  -1.01602e+00 0.00000e+00 0.00000e+00 1.79849e+01 341.051 3.16707e+01 161.051 0.8191 
1 1 1 15 16 14 o 6  5.60376e+01 2.62803e+01 3.66284e+01 321.977 1.41532e+00  -1.10670e+00 0.00000e+00 0.00000e+00 2.84972e+00 141.976 3.94782e+01 141.976 0.6614 
1 1 1 15 16 15 o 9  8.56291e+01 3.41117e+01 3.96271e+01 175.913 -2.63618e+00 1.88378e-01  0.00000e+00 0.00000e+00 2.16680e+01 175.913 1.79591e+01 355.913 0.7797 
1 1 1 15 16 16 o 17 7.86688e+01 3.11604e+01 2.95812e+01 142.968 -1.71270e+00 1.29213e+00  0.00000e+00 0.00000e+00 2.28485e+01 142.968 6.73263e+00 322.968 0.7203 
1 1 1 15 16 17 o 18 1.30444e+02 2.75767e+01 3.63029e+01 347.725 5.13421e+00  -1.11705e+00 0.00000e+00 0.00000e+00 7.31078e+01 347.725 3.68050e+01 347.725 0.8990 
1 1 1 15 16 18 o 3  5.98777e+01 2.72960e+01 1.25561e+01 163.583 -8.56514e-01 2.52366e-01  0.00000e+00 0.00000e+00 1.03928e+01 163.583 2.16324e+00 343.583 0.4072 
1 1 1 15 16 19 o 9  6.53051e+01 2.86772e+01 1.61445e+01 304.624 7.40220e-01  -1.07205e+00 0.00000e+00 0.00000e+00 1.75762e+01 304.624 1.43171e+00 304.624 0.5435 
1 1 1 15 16 20 o 1  5.27674e+01 2.51228e+01 1.40834e+01 190.023 -1.17265e+00 -2.07263e-01 0.00000e+00 0.00000e+00 1.17350e+01 190.023 2.34836e+00 10.023  0.5099 
1 1 1 15 16 21 o 3  9.73290e+01 3.07829e+01 4.47261e+01 143.679 -4.76768e+00 3.50488e+00  0.00000e+00 0.00000e+00 4.12400e+01 143.679 3.48609e+00 323.679 0.9111 
1 1 1 15 16 22 o 4  9.58283e+01 3.00674e+01 2.67126e+01 276.780 4.45768e-01  -3.74922e+00 0.00000e+00 0.00000e+00 5.35210e+01 276.780 2.68083e+01 276.780 0.8543 
1 1 1 15 17 0  o 14 6.73296e+01 3.87290e+01 5.15105e+01 270.000 -5.52262e-17 -9.01912e-01 0.00000e+00 0.00000e+00 8.87743e+00 90.000  6.03880e+01 90.000  0.7172 
1 1 1 15 17 1  o 6  3.24251e+02 1.98418e+01 8.79002e+01 262.839 -2.01154e+00 -1.60113e+01 0.00000e+00 0.00000e+00 1.89416e+02 262.839 1.01516e+02 262.839 0.9685 
1 1 1 15 17 2  o 13 1.27383e+02 2.81198e+01 6.78117e+01 140.921 -3.44931e+00 2.80104e+00  0.00000e+00 0.00000e+00 3.10999e+01 140.921 3.67117e+01 320.921 0.8786 
1 1 1 15 17 3  o 11 5.34061e+01 2.38158e+01 2.25465e+01 19.480  7.02445e-01  2.48478e-01  0.00000e+00 0.00000e+00 6.05980e+00 199.480 2.86063e+01 199.480 0.3489 
1 1 1 15 17 4  o 5  1.09167e+02 2.86061e+01 4.83110e+01 53.432  1.81390e+00  2.44527e+00  0.00000e+00 0.00000e+00 3.03830e+01 53.432  1.79280e+01 233.432 0.8132 
1 1 1 15 17 5  o 7  1.07105e+02 2.86576e+01 4.55193e+01 126.291 -1.65837e+00 2.25835e+00  0.00000e+00 0.00000e+00 3.00529e+01 126.291 1.54664e+01 306.291 0.7942 
1 1 1 15 17 6  o 10 8.42701e+01 2.68370e+01 2.65742e+01 270.129 3.22074e-03  -1.43064e+00 0.00000e+00 0.00000e+00 1.68583e+01 270.129 9.71596e+00 90.129  0.5785 
1 1 1 15 17 7  o 7  2.03155e+02 1.93180e+01 1.06898e+02 257.318 -3.59304e+00 -1.59671e+01 0.00000e+00 0.00000e+00 6.90487e+01 257.318 3.78490e+01 77.318  0.9690 
1 1 1 15 17 8  o 14 1.20670e+02 2.62745e+01 5.57938e+01 150.679 -3.97325e+00 2.23160e+00  0.00000e+00 0.00000e+00 3.96955e+01 150.679 1.60983e+01 330.679 0.8820 
1 1 1 15 17 9  o 4  7.94638e+01 2.98802e+01 3.18201e+01 97.196  -2.28444e-01 1.80935e+00  0.00000e+00 0.00000e+00 1.59092e+01 97.196  1.59109e+01 277.196 0.6666 
1 1 1 15 17 10 o 9  7.29364e+01 3.38676e+01 5.19475e+01 317.987 2.00790e+00  -1.80873e+00 0.00000e+00 0.00000e+00 8.73664e-02 137.987 5.20349e+01 137.987 0.7853 
1 1 1 15 17 11 o 11 9.73521e+01 2.97732e+01 3.45742e+01 102.812 -5.59850e-01 2.46172e+00  0.00000e+00 0.00000e+00 3.34465e+01 102.812 1.12777e+00 282.812 0.7676 
1 1 1 15 17 12 o 7  7.02929e+01 2.83078e+01 3.73713e+01 99.879  -3.80786e-01 2.18652e+00  0.00000e+00 0.00000e+00 9.65176e+00 99.879  2.77195e+01 279.879 0.7307 
1 1 1 15 17 13 o 8  9.86656e+01 3.15034e+01 4.86557e+01 278.486 5.67415e-01  -3.80282e+00 0.00000e+00 0.00000e+00 2.92703e+01 278.486 1.93854e+01 98.486  0.8573 
1 1 1 15 17 14 o 11 7.82862e+01 3.20940e+01 2.67952e+01 230.953 -1.07973e+00 -1.33114e+00 0.00000e+00 0.00000e+00 2.00246e+01 230.953 6.77058e+00 50.953  0.6448 
1 1 1 15 17 15 o 6  5.97158e+01 2.68085e+01 1.17616e+01 266.294 -5.33460e-02 -8.23633e-01 0.00000e+00 0.00000e+00 9.50340e+00 266.294 2.25823e+00 86.294  0.3811 
1 1 1 15 17 16 o 18 9.00693e+01 3.18212e+01 2.96668e+01 283.743 6.22483e-01  -2.54520e+00 0.00000e+00 0.00000e+00 3.62776e+01 283.743 6.61080e+00 283.743 0.7775 
1 1 1 15 17 17 o 14 6.36316e+01 2.80920e+01 2.68114e+01 55.152  1.13020e+00  1.62323e+00  0.00000e+00 0.00000e+00 1.51297e+01 55.152  1.16817e+01 235.152 0.6941 
1 1 1 15 17 18 o 15 5.82523e+01 2.57838e+01 2.30215e+01 154.830 -1.65394e+00 7.77218e-01  0.00000e+00 0.00000e+00 1.42180e+01 154.830 8.80342e+00 334.830 0.6673 
1 1 1 15 17 19 o 9  7.23585e+01 2.87408e+01 1.94710e+01 138.251 -1.46399e+00 1.30662e+00  0.00000e+00 0.00000e+00 2.89117e+01 138.251 9.44076e+00 138.251 0.6915 
1 1 1 15 17 20 o 17 4.87754e+01 2.34714e+01 1.75503e+01 17.841  1.50092e+00  4.83092e-01  0.00000e+00 0.00000e+00 1.17211e+01 17.841  5.82921e+00 197.841 0.6145 
1 1 1 15 17 21 o 13 5.77947e+01 2.68511e+01 1.84291e+01 302.683 9.77288e-01  -1.52326e+00 0.00000e+00 0.00000e+00 1.94321e+01 302.683 1.00301e+00 302.683 0.6639 
1 1 1 15 18 0  o 2  2.09902e+02 3.33554e+01 6.17721e+01 270.000 -2.67044e-16 -4.36116e+00 0.00000e+00 0.00000e+00 1.26967e+02 270.000 6.51953e+01 270.000 0.9997 
1 1 1 15 18 1  o 5  7.96401e+01 3.00933e+01 5.24320e+01 242.294 -1.18071e+00 -2.24833e+00 0.00000e+00 0.00000e+00 2.68472e+00 242.294 4.97473e+01 62.294  0.7692 
1 1 1 15 18 2  o 10 9.51126e+01 3.13753e+01 6.25768e+01 357.493 3.53574e+00  -1.54817e-01 0.00000e+00 0.00000e+00 9.62602e+00 357.493 5.29508e+01 177.493 0.8431 
1 1 1 15 18 3  o 8  7.43222e+01 2.82598e+01 3.12976e+00 53.249  9.21433e-02  1.23391e-01  0.00000e+00 0.00000e+00 2.01417e+00 53.249  1.11559e+00 233.249 0.0768 
1 1 1 15 18 4  o 10 1.66468e+02 2.24707e+01 5.46655e+01 107.724 -2.00461e+00 6.27209e+00  0.00000e+00 0.00000e+00 8.37338e+01 107.724 2.90682e+01 107.724 0.9206 
1 1 1 15 18 5  o 6  1.62193e+02 2.31812e+01 5.00362e+01 47.871  3.88378e+00  4.29387e+00  0.00000e+00 0.00000e+00 8.34091e+01 47.871  3.33730e+01 47.871  0.9090 
1 1 1 15 18 6  o 1  9.19836e+01 2.65848e+01 3.45250e+01 201.049 -2.28912e+00 -8.80941e-01 0.00000e+00 0.00000e+00 2.89084e+01 201.049 5.61659e+00 21.049  0.7598 
1 1 1 15 18 7  o 14 1.27747e+02 2.78853e+01 6.71010e+01 220.276 -5.33630e+00 -4.52174e+00 0.00000e+00 0.00000e+00 4.05624e+01 220.276 2.65386e+01 40.276  0.9255 
1 1 1 15 18 8  o 6  1.76030e+02 2.07175e+01 3.91171e+01 194.921 -6.20086e+00 -1.65239e+00 0.00000e+00 0.00000e+00 1.08662e+02 194.921 6.95445e+01 194.921 0.9184 
1 1 1 15 18 9  o 18 6.93975e+01 2.80947e+01 2.65278e+01 27.142  1.27550e+00  6.53893e-01  0.00000e+00 0.00000e+00 1.03738e+01 27.142  1.61540e+01 207.142 0.5792 
1 1 1 15 18 10 o 19 1.39962e+02 2.53371e+01 6.13879e+01 32.442  6.25617e+00  3.97676e+00  0.00000e+00 0.00000e+00 5.86658e+01 32.442  2.72207e+00 212.442 0.9299 
1 1 1 15 18 11 o 9  7.50573e+01 2.90046e+01 3.75848e+01 87.282  1.10997e-01  2.33796e+00  0.00000e+00 0.00000e+00 1.43734e+01 87.282  2.32113e+01 267.282 0.7465 
1 1 1 15 18 12 o 11 1.29890e+02 2.80508e+01 5.41121e+01 237.483 -3.42312e+00 -5.36964e+00 0.00000e+00 0.00000e+00 5.70726e+01 237.483 2.96054e+00 237.483 0.9177 
1 1 1 15 18 13 o 7  9.46425e+01 3.30611e+01 3.22289e+01 267.228 -1.29822e-01 -2.68147e+00 0.00000e+00 0.00000e+00 3.73882e+01 267.228 5.15934e+00 267.228 0.7837 
1 1 1 15 18 14 o 1  4.34080e+01 2.14337e+01 1.95513e+01 72.818  3.43501e-01  1.11091e+00  0.00000e+00 0.00000e+00 1.00552e+00 72.818  1.85458e+01 252.818 0.5011 
1 1 1 15 18 15 o 3  5.51336e+01 2.52755e+01 3.32198e+01 67.669  8.17296e-01  1.98966e+00  0.00000e+00 0.00000e+00 4.62667e+00 67.669  2.85931e+01 247.669 0.7211 
1 1 1 15 18 16 o 3  8.48282e+01 3.14530e+01 4.28327e+00 163.203 -3.62562e-01 1.09440e-01  0.00000e+00 0.00000e+00 1.08586e+01 163.203 6.57535e+00 163.203 0.1860 
1 1 1 15 18 17 o 15 5.04125e+01 2.41217e+01 2.55052e+01 172.290 -1.83602e+00 2.48549e-01  0.00000e+00 0.00000e+00 7.27256e+00 172.290 1.82326e+01 352.290 0.6721 
1 1 1 15 18 18 o 2  5.71251e+01 2.53704e+01 9.54624e+00 134.375 -6.05052e-01 6.18400e-01  0.00000e+00 0.00000e+00 1.25659e+01 134.375 3.01967e+00 134.375 0.3966 
1 1 1 15 18 19 o 12 6.19418e+01 2.65903e+01 9.73130e+00 288.250 3.04469e-01  -9.23352e-01 0.00000e+00 0.00000e+00 1.69044e+01 288.250 7.17314e+00 288.250 0.4365 
1 1 1 15 18 20 f 0  5.52372e+01 2.57693e+01 1.64133e+01 301.969 8.55401e-01  -1.37057e+00 0.00000e+00 0.00000e+00 1.78494e+01 301.969 1.43614e+00 301.969 0.6234 
1 1 1 15 19 0  f 0  1.48467e+02 4.48271e+01 1.29499e+01 90.000  4.11968e-17  6.72795e-01  0.00000e+00 0.00000e+00 6.69758e+01 90.000  5.40259e+01 90.000  0.5868 
1 1 1 15 19 1  o 12 8.22671e+01 3.05639e+01 5.76894e+01 130.997 -2.22866e+00 2.56409e+00  0.00000e+00 0.00000e+00 5.38672e+00 130.997 5.23027e+01 310.997 0.8356 
1 1 1 15 19 2  o 11 1.40734e+02 2.94413e+01 3.27800e+01 118.847 -1.76530e+00 3.20487e+00  0.00000e+00 0.00000e+00 7.69427e+01 118.847 4.41627e+01 118.847 0.8490 
1 1 1 15 19 3  o 11 1.28258e+02 2.67694e+01 4.79340e+01 320.403 3.96730e+00  -3.28167e+00 0.00000e+00 0.00000e+00 5.78164e+01 320.403 9.88240e+00 320.403 0.8967 
1 1 1 15 19 4  o 3  7.60909e+01 2.87094e+01 2.35849e+01 130.564 -9.36079e-01 1.09354e+00  0.00000e+00 0.00000e+00 1.71226e+01 130.564 6.46237e+00 310.564 0.5808 
1 1 1 15 19 5  o 1  4.94074e+01 2.29646e+01 3.71981e+01 216.744 -1.27793e+00 -9.54071e-01 0.00000e+00 0.00000e+00 8.97729e+00 36.744  4.61754e+01 36.744  0.6187 
1 1 1 15 19 6  o 7  6.28134e+01 2.82238e+01 3.87821e+01 250.798 -6.25119e-01 -1.79489e+00 0.00000e+00 0.00000e+00 8.04226e-01 250.798 3.79779e+01 70.798  0.6808 
1 1 1 15 19 7  o 9  7.13426e+01 2.60949e+01 5.52646e+01 80.114  5.79204e-01  3.32351e+00  0.00000e+00 0.00000e+00 1.31218e-02 80.114  5.52515e+01 260.114 0.8342 
1 1 1 15 19 8  o 17 7.80130e+01 2.76791e+01 1.69419e+01 73.616  3.21191e-01  1.09247e+00  0.00000e+00 0.00000e+00 1.89432e+01 73.616  2.00127e+00 73.616  0.4934 
1 1 1 15 19 9  o 1  1.09491e+02 3.06473e+01 4.88081e+01 274.104 3.14521e-01  -4.38360e+00 0.00000e+00 0.00000e+00 4.11171e+01 274.104 7.69096e+00 94.104  0.8772 
1 1 1 15 19 10 o 18 2.05611e+02 1.97449e+01 4.47134e+01 72.909  2.95863e+00  9.62242e+00  0.00000e+00 0.00000e+00 1.38855e+02 72.909  9.41411e+01 72.909  0.9490 
1 1 1 15 19 11 o 6  5.57349e+01 2.49836e+01 9.95190e+00 164.533 -5.86375e-01 1.62248e-01  0.00000e+00 0.00000e+00 5.38525e+00 164.533 4.56666e+00 344.533 0.2909 
1 1 1 15 19 12 o 2  1.57298e+02 2.52013e+01 3.43910e+01 267.313 -3.13563e-01 -6.68189e+00 0.00000e+00 0.00000e+00 1.03561e+02 267.313 6.91698e+01 267.313 0.9219 
1 1 1 15 19 13 o 11 4.91260e+01 2.35789e+01 1.80185e+01 202.605 -1.02272e+00 -4.25813e-01 0.00000e+00 0.00000e+00 4.71073e+00 202.605 1.33078e+01 22.605  0.4833 
1 1 1 15 19 14 o 12 7.44474e+01 3.05787e+01 2.29010e+01 310.940 1.12227e+00  -1.29376e+00 0.00000e+00 0.00000e+00 2.33460e+01 310.940 4.45040e-01 310.940 0.6445 
1 1 1 15 19 15 o 16 8.94055e+01 3.11276e+01 1.31206e+01 30.093  1.17835e+00  6.82876e-01  0.00000e+00 0.00000e+00 3.55008e+01 30.093  2.23802e+01 30.093  0.5601 
1 1 1 15 19 16 o 9  6.30238e+01 2.80657e+01 2.24723e+01 83.403  2.35599e-01  2.03710e+00  0.00000e+00 0.00000e+00 2.10643e+01 83.403  1.40801e+00 263.403 0.7059 
1 1 1 15 19 17 o 9  5.57414e+01 2.58061e+01 9.47534e+00 35.268  6.71084e-01  4.74593e-01  0.00000e+00 0.00000e+00 1.14129e+01 35.268  1.93753e+00 35.268  0.3798 
1 1 1 15 19 18 o 12 5.34378e+01 2.49124e+01 1.43015e+01 165.961 -1.28148e+00 3.20438e-01  0.00000e+00 0.00000e+00 1.48852e+01 165.961 5.83673e-01 165.961 0.5487 
1 1 1 15 19 19 o 16 8.64175e+01 2.99513e+01 1.04785e+01 198.963 -1.26002e+00 -4.32959e-01 0.00000e+00 0.00000e+00 3.74428e+01 198.963 2.69643e+01 198.963 0.5519 
1 1 1 15 20 0  o 1  5.67517e+01 3.66073e+01 1.64412e+01 270.000 -2.46924e-17 -4.03258e-01 0.00000e+00 0.00000e+00 3.90392e+00 270.000 1.25373e+01 90.000  0.3827 
1 1 1 15 20 1  o 9  1.56446e+02 2.69921e+01 7.04120e+01 45.112  6.56183e+00  6.58752e+00  0.00000e+00 0.00000e+00 6.80407e+01 45.112  2.37135e+00 225.112 0.9446 
1 1 1 15 20 2  o 12 1.03218e+02 3.26612e+01 3.00037e+01 70.384  7.73260e-01  2.16970e+00  0.00000e+00 0.00000e+00 4.17869e+01 70.384  1.17831e+01 70.384  0.7418 
1 1 1 15 20 3  o 19 9.55501e+01 3.15084e+01 2.05460e+01 158.910 -1.39603e+00 5.38399e-01  0.00000e+00 0.00000e+00 3.28452e+01 158.910 1.22992e+01 158.910 0.5952 
1 1 1 15 20 4  o 14 7.25628e+01 2.79438e+01 2.64592e+01 166.313 -1.60503e+00 3.90868e-01  0.00000e+00 0.00000e+00 1.66364e+01 166.313 9.82277e+00 346.313 0.6315 
1 1 1 15 20 5  o 19 5.13257e+01 2.34066e+01 1.65848e+01 240.176 -4.00900e-01 -6.99340e-01 0.00000e+00 0.00000e+00 1.48491e+00 240.176 1.50999e+01 60.176  0.3735 
1 1 1 15 20 6  o 14 9.38423e+01 2.88612e+01 2.94597e+01 290.520 8.33562e-01  -2.22707e+00 0.00000e+00 0.00000e+00 3.71583e+01 290.520 7.69861e+00 290.520 0.7510 
1 1 1 15 20 7  o 11 1.63938e+02 2.37822e+01 6.75998e+01 110.496 -3.72844e+00 9.97406e+00  0.00000e+00 0.00000e+00 8.03742e+01 110.496 1.27744e+01 110.496 0.9518 
1 1 1 15 20 8  o 6  5.74399e+01 2.48569e+01 1.75895e+01 41.886  7.37895e-01  6.61746e-01  0.00000e+00 0.00000e+00 6.64624e+00 41.886  1.09432e+01 221.886 0.4432 
1 1 1 15 20 9  f 0  1.77113e+02 2.66641e+01 4.52454e+01 326.109 6.99059e+00  -4.69588e+00 0.00000e+00 0.00000e+00 1.13678e+02 326.109 6.84327e+01 326.109 0.9386 
1 1 1 15 20 10 o 2  1.54017e+02 2.44670e+01 5.16565e+01 159.712 -9.45191e+00 3.49413e+00  0.00000e+00 0.00000e+00 8.87461e+01 159.712 3.70896e+01 159.712 0.9490 
1 1 1 15 20 11 o 8  8.25412e+01 2.98925e+01 3.45547e+01 262.426 -3.92073e-01 -2.94877e+00 0.00000e+00 0.00000e+00 2.98581e+01 262.426 4.69663e+00 82.426  0.8081 
1 1 1 15 20 12 o 12 6.88237e+01 2.82218e+01 3.09584e+01 310.664 1.50044e+00  -1.74667e+00 0.00000e+00 0.00000e+00 1.86244e+01 310.664 1.23340e+01 130.664 0.7417 
1 1 1 15 20 13 o 5  6.57400e+01 2.87737e+01 2.44193e+01 103.183 -4.15726e-01 1.77484e+00  0.00000e+00 0.00000e+00 1.84040e+01 103.183 6.01534e+00 283.183 0.6664 
1 1 1 15 20 14 o 11 6.28703e+01 2.73282e+01 3.34350e+01 97.472  -3.54166e-01 2.70037e+00  0.00000e+00 0.00000e+00 1.52751e+01 97.472  1.81599e+01 277.472 0.7873 
1 1 1 15 20 15 o 1  4.42015e+01 2.14896e+01 1.87868e+01 181.000 -1.55935e+00 -2.72168e-02 0.00000e+00 0.00000e+00 7.96573e+00 181.000 1.08211e+01 1.000   0.6105 
1 1 1 15 20 16 o 1  6.74562e+01 2.89080e+01 1.75526e+01 276.603 1.92385e-01  -1.66191e+00 0.00000e+00 0.00000e+00 2.53178e+01 276.603 7.76515e+00 276.603 0.6361 
1 1 1 15 20 17 o 17 4.28819e+01 2.12157e+01 1.93298e+01 23.577  1.67462e+00  7.30823e-01  0.00000e+00 0.00000e+00 9.49693e+00 23.577  9.83285e+00 203.577 0.6672 
1 1 1 15 20 18 f 0  6.40376e+01 2.83249e+01 1.55863e+01 321.208 1.22519e+00  -9.84805e-01 0.00000e+00 0.00000e+00 2.43400e+01 321.208 8.75372e+00 321.208 0.6134 
1 1 1 15 21 0  o 8  5.41966e+01 3.59000e+01 1.40196e+01 270.000 -2.16818e-17 -3.54091e-01 0.00000e+00 0.00000e+00 3.62160e+00 270.000 1.03980e+01 90.000  0.3400 
1 1 1 15 21 1  o 2  7.34966e+01 3.19773e+01 1.42835e+01 91.276  -1.86383e-02 8.36728e-01  0.00000e+00 0.00000e+00 1.28587e+01 91.276  1.42480e+00 271.276 0.3856 
1 1 1 15 21 2  o 17 6.42117e+01 2.79859e+01 3.64086e+01 292.424 7.81716e-01  -1.89429e+00 0.00000e+00 0.00000e+00 7.01738e+00 292.424 2.93912e+01 112.424 0.7057 
1 1 1 15 21 3  o 9  9.51782e+01 2.97492e+01 1.91825e+01 69.735  5.54369e-01  1.50146e+00  0.00000e+00 0.00000e+00 3.74425e+01 69.735  1.82601e+01 69.735  0.6200 
1 1 1 15 21 4  f 0  7.56577e+01 2.86223e+01 2.93680e+01 100.805 -3.74710e-01 1.96334e+00  0.00000e+00 0.00000e+00 2.13631e+01 100.805 8.00493e+00 280.805 0.6976 
1 1 1 15 21 5  o 10 5.79111e+01 2.52798e+01 2.98575e+01 239.206 -8.61066e-01 -1.44482e+00 0.00000e+00 0.00000e+00 5.73836e+00 239.206 2.41191e+01 59.206  0.6380 
1 1 1 15 21 6  o 19 6.95641e+01 2.90124e+01 4.50042e+01 79.161  5.81334e-01  3.03617e+00  0.00000e+00 0.00000e+00 9.87035e+00 79.161  3.51339e+01 259.161 0.8165 
1 1 1 15 21 7  o 10 9.20202e+01 2.87827e+01 1.12379e+01 207.755 -1.01920e+00 -5.36343e-01 0.00000e+00 0.00000e+00 3.31415e+01 207.755 2.19037e+01 207.755 0.4976 
1 1 1 15 21 8  o 1  6.98247e+01 2.77875e+01 3.05889e+01 305.257 1.40982e+00  -1.99435e+00 0.00000e+00 0.00000e+00 2.09454e+01 305.257 9.64346e+00 125.257 0.7586 
1 1 1 15 21 9  o 9  8.57841e+01 2.74591e+01 1.83990e+01 89.609  1.20675e-02  1.76993e+00  0.00000e+00 0.00000e+00 3.66001e+01 89.609  1.82010e+01 89.609  0.6561 
1 1 1 15 21 10 o 18 9.15210e+01 3.01167e+01 1.53349e+01 193.504 -1.39398e+00 -3.34757e-01 0.00000e+00 0.00000e+00 3.67180e+01 193.504 2.13831e+01 193.504 0.5793 
1 1 1 15 21 11 o 4  4.59849e+01 2.19831e+01 1.10573e+01 321.017 5.56926e-01  -4.50716e-01 0.00000e+00 0.00000e+00 4.24090e+00 321.017 6.81643e+00 141.017 0.3371 
1 1 1 15 21 12 o 15 7.31525e+01 3.04421e+01 6.60203e+00 137.708 -4.22941e-01 3.84740e-01  0.00000e+00 0.00000e+00 1.33549e+01 137.708 6.75283e+00 137.708 0.2748 
1 1 1 15 21 13 o 6  4.62699e+01 2.24646e+01 8.20243e+00 40.921  5.19613e-01  4.50442e-01  0.00000e+00 0.00000e+00 6.82072e+00 40.921  1.38171e+00 220.921 0.3250 
1 1 1 15 21 14 o 10 7.02096e+01 2.87099e+01 1.35538e+01 30.027  1.14039e+00  6.59125e-01  0.00000e+00 0.00000e+00 2.51177e+01 30.027  1.15638e+01 30.027  0.5476 
1 1 1 15 21 15 o 17 6.27702e+01 2.77184e+01 1.49245e+01 173.484 -1.42483e+00 1.62740e-01  0.00000e+00 0.00000e+00 2.19276e+01 173.484 7.00304e+00 173.484 0.5794 
1 1 1 15 21 16 o 3  4.96984e+01 2.36134e+01 1.40853e+01 322.368 1.08664e+00  -8.37797e-01 0.00000e+00 0.00000e+00 1.44828e+01 322.368 3.97431e-01 322.368 0.5629 
1 1 1 15 22 0  o 2  4.25368e+01 2.93915e+01 2.36085e+01 90.000  4.37421e-17  7.14363e-01  0.00000e+00 0.00000e+00 1.95071e+00 90.000  2.16578e+01 270.000 0.6134 
1 1 1 15 22 1  o 5  7.13502e+01 2.96503e+01 1.72504e+01 82.613  1.71602e-01  1.32359e+00  0.00000e+00 0.00000e+00 2.13767e+01 82.613  4.12623e+00 82.613  0.5525 
1 1 1 15 22 2  o 7  1.05827e+02 3.00205e+01 3.18385e+01 237.789 -1.92324e+00 -3.05275e+00 0.00000e+00 0.00000e+00 5.60085e+01 237.789 2.41700e+01 237.789 0.8466 
1 1 1 15 22 3  o 8  7.55085e+01 2.91940e+01 4.81443e+01 213.738 -3.31768e+00 -2.21577e+00 0.00000e+00 0.00000e+00 1.58422e+01 213.738 3.23021e+01 33.738  0.8631 
1 1 1 15 22 4  o 8  1.23731e+02 3.40690e+01 5.56813e+01 29.478  5.63288e+00  3.18411e+00  0.00000e+00 0.00000e+00 5.61666e+01 29.478  4.85380e-01 29.478  0.9191 
1 1 1 15 22 5  o 11 1.20514e+02 2.82651e+01 5.99151e+01 7.587   7.85993e+00  1.04687e+00  0.00000e+00 0.00000e+00 5.11176e+01 7.587   8.79751e+00 187.587 0.9346 
1 1 1 15 22 6  o 15 1.30794e+02 2.78457e+01 6.59076e+01 141.904 -7.46317e+00 5.85096e+00  0.00000e+00 0.00000e+00 5.63636e+01 141.904 9.54402e+00 321.904 0.9457 
1 1 1 15 22 7  o 3  7.48002e+01 2.79588e+01 8.28045e+00 319.651 5.15579e-01  -4.37994e-01 0.00000e+00 0.00000e+00 1.54782e+01 319.651 7.19776e+00 319.651 0.3203 
1 1 1 15 22 8  o 11 1.57338e+02 2.29843e+01 5.12741e+01 263.163 -1.31884e+00 -1.09996e+01 0.00000e+00 0.00000e+00 9.81113e+01 263.163 4.68372e+01 263.163 0.9537 
1 1 1 15 22 9  o 7  9.04099e+01 2.76843e+01 3.70497e+01 164.759 -4.23958e+00 1.15510e+00  0.00000e+00 0.00000e+00 4.22349e+01 164.759 5.18522e+00 164.759 0.8771 
1 1 1 15 22 10 o 17 6.40942e+01 2.68344e+01 3.03836e+01 346.942 2.50284e+00  -5.80492e-01 0.00000e+00 0.00000e+00 1.93450e+01 346.942 1.10386e+01 166.942 0.7723 
1 1 1 15 22 11 f 0  9.03129e+01 3.00224e+01 2.84784e+01 356.644 3.41445e+00  -2.00201e-01 0.00000e+00 0.00000e+00 4.78480e+01 356.644 1.93696e+01 356.644 0.8368 
1 1 1 15 22 12 o 1  7.57319e+01 3.05502e+01 3.57576e+01 120.494 -1.76506e+00 2.99716e+00  0.00000e+00 0.00000e+00 2.88590e+01 120.494 6.89854e+00 300.494 0.8400 
1 1 1 15 22 13 o 12 4.63629e+01 2.21946e+01 9.70094e+00 1.085   8.37553e-01  1.58657e-02  0.00000e+00 0.00000e+00 8.59019e+00 1.085   1.11075e+00 181.085 0.3859 
1 1 1 15 22 14 o 13 4.81851e+01 2.29629e+01 1.07493e+01 323.904 8.47389e-01  -6.17834e-01 0.00000e+00 0.00000e+00 1.22309e+01 323.904 1.48161e+00 323.904 0.4634 
1 1 1 15 22 15 o 16 5.56112e+01 2.55790e+01 1.02309e+01 235.618 -5.72009e-01 -8.35956e-01 0.00000e+00 0.00000e+00 1.57688e+01 235.618 5.53791e+00 235.618 0.4510 
1 1 1 15 23 0  o 10 6.79560e+01 4.10591e+01 7.01648e+00 270.000 -1.54390e-17 -2.52137e-01 0.00000e+00 0.00000e+00 9.81998e+00 270.000 2.80349e+00 270.000 0.2469 
1 1 1 15 23 1  o 10 8.32529e+01 3.15640e+01 3.73641e+01 246.068 -1.23378e+00 -2.77995e+00 0.00000e+00 0.00000e+00 3.05649e+01 246.068 6.79919e+00 66.068  0.8130 
1 1 1 15 23 2  o 9  7.90442e+01 2.94412e+01 2.50557e+01 163.556 -2.12392e+00 6.26858e-01  0.00000e+00 0.00000e+00 3.29012e+01 163.556 7.84549e+00 163.556 0.7300 
1 1 1 15 23 3  o 18 5.97242e+01 2.61124e+01 2.83013e+01 40.605  1.59887e+00  1.37066e+00  0.00000e+00 0.00000e+00 1.46080e+01 40.605  1.36933e+01 220.605 0.7144 
1 1 1 15 23 4  o 5  5.16458e+01 2.36481e+01 1.69472e+01 281.705 2.39174e-01  -1.15438e+00 0.00000e+00 0.00000e+00 9.38946e+00 281.705 7.55779e+00 101.705 0.5062 
1 1 1 15 23 5  o 14 6.08213e+01 2.61706e+01 1.08842e+01 118.028 -4.31830e-01 8.11185e-01  0.00000e+00 0.00000e+00 1.47207e+01 118.028 3.83647e+00 118.028 0.4169 
1 1 1 15 23 6  o 10 5.42840e+01 2.45587e+01 6.61197e+00 258.746 -1.02833e-01 -5.16803e-01 0.00000e+00 0.00000e+00 7.38856e+00 258.746 7.76592e-01 258.746 0.2547 
1 1 1 15 23 7  o 15 8.24251e+01 3.05523e+01 1.07988e+01 279.571 1.70853e-01  -1.01331e+00 0.00000e+00 0.00000e+00 2.73895e+01 279.571 1.65907e+01 279.571 0.4561 
1 1 1 15 23 8  o 12 4.89768e+01 2.27384e+01 1.58677e+01 70.797  4.59102e-01  1.31812e+00  0.00000e+00 0.00000e+00 1.25633e+01 70.797  3.30440e+00 250.797 0.5693 
1 1 1 15 23 9  o 5  6.19664e+01 2.50630e+01 5.72643e+00 97.955  -7.96934e-02 5.70320e-01  0.00000e+00 0.00000e+00 1.18271e+01 97.955  6.10066e+00 97.955  0.2766 
1 1 1 15 23 10 o 14 4.75011e+01 2.19759e+01 9.62902e+00 10.975  8.15947e-01  1.58231e-01  0.00000e+00 0.00000e+00 9.10980e+00 10.975  5.19215e-01 190.975 0.3834 
1 1 1 15 23 11 o 13 7.65603e+01 2.75389e+01 2.35017e+01 197.052 -2.64441e+00 -8.11119e-01 0.00000e+00 0.00000e+00 3.91497e+01 197.052 1.56479e+01 197.052 0.7911 
1 1 1 15 23 12 o 10 5.04060e+01 2.39673e+01 1.34942e+01 228.583 -8.67054e-01 -9.82892e-01 0.00000e+00 0.00000e+00 1.51268e+01 228.583 1.63257e+00 228.583 0.5457 
1 1 1 15 23 13 o 11 7.07964e+01 3.05278e+01 2.34492e+01 357.515 2.34332e+00  -1.01704e-01 0.00000e+00 0.00000e+00 3.19305e+01 357.515 8.48133e+00 357.515 0.7471 
1 1 1 15 24 0  o 5  4.32495e+01 2.99668e+01 9.77321e+00 90.000  2.09009e-17  3.41337e-01  0.00000e+00 0.00000e+00 4.85122e+00 90.000  4.92199e+00 270.000 0.3287 
1 1 1 15 24 1  o 10 7.21318e+01 2.96106e+01 1.44814e+01 157.758 -1.15178e+00 4.71017e-01  0.00000e+00 0.00000e+00 2.45859e+01 157.758 1.01045e+01 157.758 0.5263 
1 1 1 15 24 2  o 8  5.79142e+01 2.55228e+01 3.09411e+00 134.343 -1.72979e-01 1.76990e-01  0.00000e+00 0.00000e+00 4.23025e+00 134.343 1.13615e+00 134.343 0.1228 
1 1 1 15 24 3  o 8  7.85424e+01 2.97351e+01 4.49673e+01 40.513  3.60108e+00  3.07700e+00  0.00000e+00 0.00000e+00 2.68615e+01 40.513  1.81058e+01 220.513 0.8869 
1 1 1 15 24 4  o 11 7.06577e+01 2.79300e+01 5.92042e+00 217.576 -4.78234e-01 -3.67975e-01 0.00000e+00 0.00000e+00 1.51556e+01 217.576 9.23514e+00 217.576 0.2888 
1 1 1 15 24 5  o 15 1.22273e+02 2.91409e+01 5.53702e+01 192.425 -9.04883e+00 -1.99369e+00 0.00000e+00 0.00000e+00 6.41823e+01 192.425 8.81205e+00 192.425 0.9444 
1 1 1 15 24 6  o 3  5.98286e+01 2.69439e+01 1.64444e+01 21.117  1.36072e+00  5.25519e-01  0.00000e+00 0.00000e+00 1.99387e+01 21.117  3.49432e+00 21.117  0.5857 
1 1 1 15 24 7  o 17 1.01116e+02 2.93121e+01 2.71673e+01 310.657 2.46771e+00  -2.87332e+00 0.00000e+00 0.00000e+00 6.28653e+01 310.657 3.56980e+01 310.657 0.8548 
1 1 1 15 24 8  o 12 5.23795e+01 2.32297e+01 1.93549e+01 161.402 -1.71274e+00 5.76336e-01  0.00000e+00 0.00000e+00 1.69774e+01 161.402 2.37755e+00 341.402 0.6634 
1 1 1 15 24 9  o 7  7.57085e+01 2.67691e+01 3.21381e+01 7.899   3.81055e+00  5.28696e-01  0.00000e+00 0.00000e+00 3.60208e+01 7.899   3.88265e+00 7.899   0.8574 
1 1 1 15 24 10 o 7  5.96454e+01 2.56881e+01 5.08534e+00 299.675 2.65172e-01  -4.65374e-01 0.00000e+00 0.00000e+00 1.11914e+01 299.675 6.10608e+00 299.675 0.2586 
1 1 1 15 24 11 o 8  5.25788e+01 2.39348e+01 1.94169e+01 122.217 -1.04361e+00 1.65612e+00  0.00000e+00 0.00000e+00 1.91018e+01 122.217 3.15132e-01 302.217 0.6907 
1 1 1 15 25 0  o 19 4.79544e+01 3.24441e+01 3.98688e+01 270.000 -1.05855e-16 -1.72874e+00 0.00000e+00 0.00000e+00 7.67936e+00 270.000 3.21894e+01 90.000  0.9389 
1 1 1 15 25 1  o 4  5.93399e+01 2.66528e+01 1.06986e+01 111.420 -3.56519e-01 9.08782e-01  0.00000e+00 0.00000e+00 1.67494e+01 111.420 6.05075e+00 111.420 0.4379 
1 1 1 15 25 2  o 9  5.63184e+01 2.52738e+01 4.36609e+01 39.439  3.09803e+00  2.54829e+00  0.00000e+00 0.00000e+00 7.77488e+00 39.439  3.58860e+01 219.439 0.8640 
1 1 1 15 25 3  o 17 5.50492e+01 2.48024e+01 5.65998e+00 121.780 -2.72914e-01 4.40511e-01  0.00000e+00 0.00000e+00 8.95185e+00 121.780 3.29187e+00 121.780 0.2508 
1 1 1 15 25 4  o 10 4.67988e+01 2.22005e+01 2.70534e+01 192.975 -2.40046e+00 -5.53080e-01 0.00000e+00 0.00000e+00 1.07061e+01 192.975 1.63472e+01 12.975  0.7610 
1 1 1 15 25 5  o 14 5.40017e+01 2.44941e+01 1.83112e+01 308.271 1.07066e+00  -1.35712e+00 0.00000e+00 0.00000e+00 1.88643e+01 308.271 5.53125e-01 308.271 0.6478 
1 1 1 15 25 6  o 19 4.48609e+01 2.18166e+01 3.61838e+00 50.624  2.19660e-01  2.67650e-01  0.00000e+00 0.00000e+00 4.53657e+00 50.624  9.18191e-01 50.624  0.1706 
1 1 1 15 25 7  o 12 4.94245e+01 2.34813e+01 9.23323e+00 280.824 1.67818e-01  -8.77775e-01 0.00000e+00 0.00000e+00 1.22979e+01 280.824 3.06463e+00 280.824 0.4074 
1 1 1 15 25 8  o 4  5.60555e+01 2.39690e+01 5.82383e+00 224.086 -4.48018e-01 -4.33941e-01 0.00000e+00 0.00000e+00 1.20809e+01 224.086 6.25702e+00 224.086 0.2976 
1 1 1 15 26 0  o 7  8.20173e+01 4.53945e+01 2.44519e+01 90.000  7.96124e-17  1.30017e+00  0.00000e+00 0.00000e+00 5.22466e+01 90.000  2.77946e+01 90.000  0.8618 
1 1 1 15 26 1  o 4  5.19044e+01 2.44521e+01 7.15917e+00 108.658 -2.21477e-01 6.55924e-01  0.00000e+00 0.00000e+00 1.12605e+01 108.658 4.10131e+00 108.658 0.3269 
1 1 1 15 26 2  o 19 6.80594e+01 2.81120e+01 1.16118e+01 25.421  1.11244e+00  5.28724e-01  0.00000e+00 0.00000e+00 2.70156e+01 25.421  1.54038e+01 25.421  0.5225 
1 1 1 15 26 3  o 19 6.36328e+01 2.70368e+01 2.35508e+01 225.159 -1.73185e+00 -1.74147e+00 0.00000e+00 0.00000e+00 2.90562e+01 225.159 5.50541e+00 225.159 0.7601 
1 1 1 16 0  1  o 4  2.61327e+02 2.74299e+01 1.09366e+02 90.000  2.03093e-16  3.31676e+00  0.00000e+00 0.00000e+00 7.24176e+01 90.000  3.69486e+01 270.000 0.9974 
1 1 1 16 0  2  o 8  1.16802e+02 4.04109e+01 5.58167e+01 180.000 -7.29156e-01 0.00000e+00  0.00000e+00 0.00000e+00 5.06306e+00 0.000   6.08798e+01 0.000   0.6225 
1 1 1 16 0  3  o 6  4.49290e+02 2.81508e+01 1.68959e+02 270.000 -5.35763e-16 -8.74968e+00 0.00000e+00 0.00000e+00 1.45032e+02 270.000 2.39275e+01 90.000  1.0000 
1 1 1 16 0  4  o 13 1.36215e+02 3.73266e+01 5.18335e+01 180.000 -7.70273e-01 0.00000e+00  0.00000e+00 0.00000e+00 9.87495e+00 180.000 4.19585e+01 0.000   0.6471 
1 1 1 16 0  5  o 2  6.18847e+02 3.27515e+01 1.89724e+02 90.000  7.89549e-16  1.28943e+01  0.00000e+00 0.00000e+00 2.44512e+02 90.000  5.47880e+01 90.000  1.0000 
1 1 1 16 0  6  o 4  2.61845e+02 2.60254e+01 7.88679e+01 0.000   2.91200e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.04289e+02 0.000   2.54210e+01 0.000   0.9941 
1 1 1 16 0  7  o 19 5.34259e+01 3.32516e+01 2.08706e+01 270.000 -9.35339e-18 -1.52752e-01 0.00000e+00 0.00000e+00 1.51538e+01 90.000  3.60245e+01 90.000  0.1516 
1 1 1 16 0  8  o 6  5.43011e+01 3.39892e+01 8.96713e+00 180.000 -6.75659e-02 0.00000e+00  0.00000e+00 0.00000e+00 6.37123e+00 0.000   1.53384e+01 0.000   0.0675 
1 1 1 16 0  9  o 10 4.95517e+01 3.24364e+01 1.36498e+01 270.000 -6.52536e-18 -1.06567e-01 0.00000e+00 0.00000e+00 9.90591e+00 90.000  2.35557e+01 90.000  0.1062 
1 1 1 16 0  10 o 12 6.64142e+01 3.98677e+01 1.66979e+01 180.000 -1.75951e-01 0.00000e+00  0.00000e+00 0.00000e+00 8.42686e+00 0.000   2.51247e+01 0.000   0.1742 
1 1 1 16 0  11 o 17 4.66281e+02 3.07795e+01 8.38627e+01 270.000 -3.48643e-16 -5.69378e+00 0.00000e+00 0.00000e+00 2.51329e+02 270.000 1.67467e+02 270.000 1.0000 
1 1 1 16 0  12 o 8  1.89178e+02 2.40631e+01 2.03226e+01 0.000   6.00597e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.31970e+01 0.000   3.28743e+01 0.000   0.5375 
1 1 1 16 0  13 o 4  6.26815e+02 2.40680e+01 1.19564e+02 90.000  9.99011e-16  1.63151e+01  0.00000e+00 0.00000e+00 3.36528e+02 90.000  2.16963e+02 90.000  1.0000 
1 1 1 16 0  14 o 18 5.82321e+01 3.44506e+01 9.36204e+00 180.000 -1.19200e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.30077e+00 0.000   1.36628e+01 0.000   0.1186 
1 1 1 16 0  15 o 2  1.47767e+02 3.37995e+01 3.71342e+01 270.000 -7.90971e-17 -1.29175e+00 0.00000e+00 0.00000e+00 5.66033e+01 270.000 1.94691e+01 270.000 0.8596 
1 1 1 16 0  16 o 18 4.80152e+01 3.22012e+01 2.62264e+01 180.000 -3.73639e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.34710e+01 0.000   3.96975e+01 0.000   0.3572 
1 1 1 16 0  17 o 18 8.92623e+01 4.58688e+01 3.65636e+01 270.000 -6.36976e-17 -1.04026e+00 0.00000e+00 0.00000e+00 1.55196e+01 270.000 2.10441e+01 90.000  0.7780 
1 1 1 16 0  18 o 14 9.00698e+01 4.30081e+01 2.87658e+01 0.000   8.88974e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.96812e+01 0.000   9.08460e+00 180.000 0.7109 
1 1 1 16 0  21 o 5  8.35379e+01 4.29730e+01 3.73130e+01 270.000 -9.77152e-17 -1.59581e+00 0.00000e+00 0.00000e+00 2.26470e+01 270.000 1.46660e+01 90.000  0.9210 
1 1 1 16 0  22 o 5  4.59913e+01 3.11442e+01 8.58521e-01 180.000 -2.31547e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.97399e-02 0.000   8.78261e-01 0.000   0.0232 
1 1 1 16 0  23 o 19 8.36854e+01 4.36154e+01 3.88979e+00 270.000 -1.16426e-17 -1.90138e-01 0.00000e+00 0.00000e+00 8.63781e+00 270.000 4.74802e+00 270.000 0.1879 
1 1 1 16 0  24 o 8  5.19293e+01 3.42066e+01 1.20675e+01 0.000   5.13645e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.72762e+00 0.000   4.33988e+00 180.000 0.4728 
1 1 1 16 0  25 o 13 6.43655e+01 3.95994e+01 7.06896e+00 90.000  2.14711e-17  3.50649e-01  0.00000e+00 0.00000e+00 1.06351e+01 90.000  3.56617e+00 90.000  0.3370 
1 1 1 16 1  1  o 13 2.91964e+02 1.85212e+01 1.52540e+02 39.502  7.99318e+00  6.58965e+00  0.00000e+00 0.00000e+00 4.11007e+01 39.502  1.11440e+02 219.502 0.9504 
1 1 1 16 1  2  o 6  4.07827e+02 2.78929e+01 5.61043e+01 57.971  2.72111e+00  4.34982e+00  0.00000e+00 0.00000e+00 1.99177e+02 57.971  1.43072e+02 57.971  0.8963 
1 1 1 16 1  4  o 1  2.97554e+02 1.80827e+01 8.68069e+01 211.935 -4.91932e+00 -3.06620e+00 0.00000e+00 0.00000e+00 1.02670e+02 211.935 1.58630e+01 211.935 0.9091 
1 1 1 16 1  5  o 19 6.94531e+01 2.58877e+01 1.24895e+01 207.489 -1.67209e-01 -8.70037e-02 0.00000e+00 0.00000e+00 7.91442e+00 27.489  2.04040e+01 27.489  0.0938 
1 1 1 16 1  6  o 13 2.95264e+02 1.82348e+01 1.18891e+02 335.747 9.02740e+00  -4.06712e+00 0.00000e+00 0.00000e+00 7.81835e+01 335.747 4.07076e+01 155.747 0.9481 
1 1 1 16 1  7  f 0  7.21109e+01 2.70312e+01 3.48546e+01 90.155  -1.87179e-03 6.92910e-01  0.00000e+00 0.00000e+00 1.81892e+01 270.155 5.30438e+01 270.155 0.3272 
1 1 1 16 1  8  o 1  4.83758e+02 2.04894e+01 1.19295e+02 200.286 -1.52522e+01 -5.63781e+00 0.00000e+00 0.00000e+00 2.12968e+02 200.286 9.36728e+01 200.286 0.9687 
1 1 1 16 1  9  o 3  2.75491e+02 1.92662e+01 6.24239e+01 201.425 -5.13155e+00 -2.01359e+00 0.00000e+00 0.00000e+00 1.14916e+02 201.425 5.24922e+01 201.425 0.9041 
1 1 1 16 1  10 o 13 3.12280e+02 2.01149e+01 1.21401e+02 52.075  7.73314e+00  9.92477e+00  0.00000e+00 0.00000e+00 9.29533e+01 52.075  2.84473e+01 232.075 0.9594 
1 1 1 16 1  11 o 5  6.90490e+01 2.92601e+01 7.56777e+01 93.228  -8.23624e-02 1.46025e+00  0.00000e+00 0.00000e+00 4.65375e+01 273.228 1.22215e+02 273.228 0.5867 
1 1 1 16 1  12 o 18 6.85667e+01 2.54967e+01 5.11539e+00 95.755  -1.05552e-02 1.04727e-01  0.00000e+00 0.00000e+00 2.50839e+00 275.755 7.62377e+00 275.755 0.0526 
1 1 1 16 1  13 o 12 2.45548e+02 1.54693e+01 1.06727e+02 308.021 7.08203e+00  -9.05778e+00 0.00000e+00 0.00000e+00 6.40772e+01 308.021 4.26499e+01 128.021 0.9555 
1 1 1 16 1  14 o 5  7.14445e+01 2.65806e+01 1.34988e+01 227.096 -2.81896e-01 -3.03318e-01 0.00000e+00 0.00000e+00 2.88219e+00 47.096  1.63810e+01 47.096  0.2027 
1 1 1 16 1  15 o 7  7.26050e+01 2.71344e+01 3.83338e+01 177.094 -1.45815e+00 7.40100e-02  0.00000e+00 0.00000e+00 6.91332e+00 357.094 4.52471e+01 357.094 0.5861 
1 1 1 16 1  16 o 13 1.53558e+02 2.35188e+01 4.82089e+01 235.963 -2.43947e+00 -3.61167e+00 0.00000e+00 0.00000e+00 5.18965e+01 235.963 3.68761e+00 235.963 0.8760 
1 1 1 16 1  17 o 19 1.10530e+02 3.18222e+01 3.34374e+01 96.263  -2.59365e-01 2.36338e+00  0.00000e+00 0.00000e+00 2.88509e+01 96.263  4.58651e+00 276.263 0.7510 
1 1 1 16 1  18 o 13 8.41847e+01 2.89982e+01 2.86329e+01 3.889   1.68657e+00  1.14650e-01  0.00000e+00 0.00000e+00 1.21432e+01 3.889   1.64897e+01 183.889 0.6398 
1 1 1 16 1  19 o 12 1.08037e+02 2.91101e+01 1.13531e+01 252.037 -2.90480e-01 -8.96000e-01 0.00000e+00 0.00000e+00 2.37684e+01 252.037 1.24153e+01 252.037 0.4254 
1 1 1 16 1  20 o 7  1.05102e+02 2.86069e+01 3.75265e+01 5.259   3.25811e+00  2.99916e-01  0.00000e+00 0.00000e+00 2.96487e+01 5.259   7.87778e+00 185.259 0.8282 
1 1 1 16 1  21 o 19 5.85276e+01 2.59054e+01 1.93359e+01 78.443  2.58060e-01  1.26197e+00  0.00000e+00 0.00000e+00 5.27121e+00 78.443  1.40647e+01 258.443 0.5392 
1 1 1 16 1  22 o 13 1.28441e+02 2.74891e+01 5.36774e+01 175.259 -7.16095e+00 5.93898e-01  0.00000e+00 0.00000e+00 4.02262e+01 175.259 1.34512e+01 355.259 0.9275 
1 1 1 16 1  23 o 13 6.37638e+01 2.76110e+01 1.41933e+01 248.982 -4.15617e-01 -1.08169e+00 0.00000e+00 0.00000e+00 1.12145e+01 248.982 2.97880e+00 68.982  0.4998 
1 1 1 16 1  24 o 18 1.28739e+02 2.91002e+01 3.17137e+01 326.895 4.73016e+00  -3.08412e+00 0.00000e+00 0.00000e+00 6.24305e+01 326.895 3.07168e+01 326.895 0.9065 
1 1 1 16 1  25 o 12 7.78974e+01 3.04899e+01 1.24917e+01 98.986  -2.14545e-01 1.35670e+00  0.00000e+00 0.00000e+00 2.33457e+01 98.986  1.08540e+01 98.986  0.5633 
1 1 1 16 2  0  o 8  4.61576e+02 2.91850e+01 1.31387e+02 0.000   6.99954e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.91145e+02 0.000   5.97586e+01 0.000   1.0000 
1 1 1 16 2  1  o 6  1.77589e+02 2.95040e+01 1.26363e+02 203.233 -4.59238e+00 -1.97141e+00 0.00000e+00 0.00000e+00 1.54798e+01 23.233  1.41843e+02 23.233  0.8933 
1 1 1 16 2  2  o 16 4.24381e+02 1.95388e+01 1.34899e+02 219.569 -1.01968e+01 -8.42622e+00 0.00000e+00 0.00000e+00 1.50492e+02 219.569 1.55926e+01 219.569 0.9614 
1 1 1 16 2  3  f 0  2.43798e+02 1.84303e+01 1.19006e+02 107.277 -1.93762e+00 6.22962e+00  0.00000e+00 0.00000e+00 3.80444e+01 107.277 8.09620e+01 287.277 0.9198 
1 1 1 16 2  4  o 13 2.64313e+02 1.80070e+01 1.03185e+02 105.774 -1.66170e+00 5.88243e+00  0.00000e+00 0.00000e+00 6.63201e+01 105.774 3.68652e+01 285.774 0.9141 
1 1 1 16 2  5  o 1  2.79735e+02 2.62370e+01 6.62854e+01 288.540 1.27748e+00  -3.80908e+00 0.00000e+00 0.00000e+00 1.03706e+02 288.540 3.74209e+01 288.540 0.8642 
1 1 1 16 2  6  o 18 1.11620e+02 2.63620e+01 2.62337e+01 8.316   7.87695e-01  1.15131e-01  0.00000e+00 0.00000e+00 2.84903e+00 8.316   2.33847e+01 188.316 0.3695 
1 1 1 16 2  7  o 14 3.75159e+02 1.89050e+01 7.36825e+01 107.415 -2.36354e+00 7.53503e+00  0.00000e+00 0.00000e+00 1.74302e+02 107.415 1.00619e+02 107.415 0.9344 
1 1 1 16 2  8  o 2  5.78301e+01 2.49409e+01 1.59610e+01 349.985 2.50702e-01  -4.42751e-02 0.00000e+00 0.00000e+00 1.07754e+01 169.985 2.67364e+01 169.985 0.1263 
1 1 1 16 2  9  o 7  7.60474e+01 2.90372e+01 2.26522e+01 21.197  4.87868e-01  1.89201e-01  0.00000e+00 0.00000e+00 8.92675e+00 201.197 3.15790e+01 201.197 0.2531 
1 1 1 16 2  10 o 1  1.65506e+02 2.49799e+01 3.35679e+01 320.831 1.39144e+00  -1.13359e+00 0.00000e+00 0.00000e+00 4.48312e+01 320.831 1.12633e+01 320.831 0.6610 
1 1 1 16 2  11 o 12 2.45614e+02 2.19202e+01 6.33258e+01 267.933 -1.63029e-01 -4.51613e+00 0.00000e+00 0.00000e+00 9.25420e+01 267.933 2.92162e+01 267.933 0.8809 
1 1 1 16 2  12 o 18 2.51997e+02 1.76965e+01 7.08178e+01 124.533 -4.01249e+00 5.83111e+00  0.00000e+00 0.00000e+00 9.83402e+01 124.533 2.75225e+01 124.533 0.9264 
1 1 1 16 2  13 o 2  1.13524e+02 2.39400e+01 4.89691e+01 39.078  1.79559e+00  1.45809e+00  0.00000e+00 0.00000e+00 1.25393e+01 39.078  3.64297e+01 219.078 0.7430 
1 1 1 16 2  14 o 13 2.63217e+02 1.92219e+01 8.10759e+01 259.375 -1.78231e+00 -9.50069e+00 0.00000e+00 0.00000e+00 1.01883e+02 259.375 2.08073e+01 259.375 0.9468 
1 1 1 16 2  15 o 13 2.84878e+02 1.60193e+01 6.94814e+01 193.473 -1.11215e+01 -2.66451e+00 0.00000e+00 0.00000e+00 1.31769e+02 193.473 6.22880e+01 193.473 0.9552 
1 1 1 16 2  16 o 19 9.02119e+01 2.98852e+01 6.33310e+00 84.885  2.78848e-02  3.11499e-01  0.00000e+00 0.00000e+00 4.05497e+00 84.885  2.27813e+00 264.885 0.1545 
1 1 1 16 2  17 o 17 1.83406e+02 2.26533e+01 5.11805e+01 70.081  2.33733e+00  6.45010e+00  0.00000e+00 0.00000e+00 7.61815e+01 70.081  2.50010e+01 70.081  0.9239 
1 1 1 16 2  18 o 10 1.39570e+02 2.70256e+01 3.41730e+01 104.745 -8.76340e-01 3.32966e+00  0.00000e+00 0.00000e+00 5.45196e+01 104.745 2.03467e+01 104.745 0.8381 
1 1 1 16 2  19 o 12 1.81284e+02 2.61157e+01 6.86561e+01 242.326 -4.66163e+00 -8.88905e+00 0.00000e+00 0.00000e+00 6.29876e+01 242.326 5.66841e+00 62.326  0.9488 
1 1 1 16 2  20 o 15 1.61381e+02 2.30854e+01 1.27169e+01 286.209 5.22658e-01  -1.79789e+00 0.00000e+00 0.00000e+00 7.15607e+01 286.209 5.88438e+01 286.209 0.6757 
1 1 1 16 2  21 o 19 1.60017e+02 2.31152e+01 4.89176e+01 36.021  7.66599e+00  5.57396e+00  0.00000e+00 0.00000e+00 6.92603e+01 36.021  2.03426e+01 36.021  0.9457 
1 1 1 16 2  22 o 6  5.46783e+01 2.48924e+01 8.72794e+00 194.749 -5.09104e-01 -1.34029e-01 0.00000e+00 0.00000e+00 2.25844e+00 194.749 6.46949e+00 14.749  0.2545 
1 1 1 16 2  23 o 1  6.62059e+01 2.78411e+01 7.13804e+00 104.838 -1.53832e-01 5.80662e-01  0.00000e+00 0.00000e+00 8.06399e+00 104.838 9.25947e-01 104.838 0.2876 
1 1 1 16 2  24 o 2  4.38081e+01 2.13396e+01 4.82506e+00 147.724 -3.16027e-01 1.99596e-01  0.00000e+00 0.00000e+00 1.67739e+00 147.724 3.14767e+00 327.724 0.1837 
1 1 1 16 2  25 o 14 6.33005e+01 2.74207e+01 1.00870e+01 181.700 -1.00290e+00 -2.97697e-02 0.00000e+00 0.00000e+00 1.30896e+01 181.700 3.00260e+00 181.700 0.4476 
1 1 1 16 3  0  o 6  3.45194e+02 2.72771e+01 1.26497e+02 0.000   5.04872e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.15336e+02 0.000   1.11613e+01 180.000 0.9999 
1 1 1 16 3  1  o 8  5.39255e+02 3.11887e+01 1.62938e+02 177.605 -1.88488e+01 7.88407e-01  0.00000e+00 0.00000e+00 2.04818e+02 177.605 4.18799e+01 177.605 0.9731 
1 1 1 16 3  2  f 0  4.28037e+02 1.95314e+01 1.32261e+02 238.441 -6.64509e+00 -1.08186e+01 0.00000e+00 0.00000e+00 1.55861e+02 238.441 2.35992e+01 238.441 0.9598 
1 1 1 16 3  3  o 1  1.54396e+02 2.22165e+01 6.04074e+01 58.515  1.07944e+00  1.76253e+00  0.00000e+00 0.00000e+00 1.64023e+01 58.515  4.40051e+01 238.515 0.7084 
1 1 1 16 3  4  o 7  3.41391e+02 1.82599e+01 9.60462e+01 18.813  6.93391e+00  2.36228e+00  0.00000e+00 0.00000e+00 1.27057e+02 18.813  3.10105e+01 18.813  0.9290 
1 1 1 16 3  5  o 9  5.02706e+02 2.05460e+01 1.24758e+02 327.812 1.48813e+01  -9.36695e+00 0.00000e+00 0.00000e+00 2.19449e+02 327.812 9.46919e+01 327.812 0.9711 
1 1 1 16 3  6  o 12 3.36494e+02 1.84100e+01 7.40505e+01 138.904 -5.27281e+00 4.59908e+00  0.00000e+00 0.00000e+00 1.46132e+02 138.904 7.20814e+01 138.904 0.9255 
1 1 1 16 3  7  o 16 3.40529e+02 1.84803e+01 9.74839e+01 200.213 -8.89318e+00 -3.27426e+00 0.00000e+00 0.00000e+00 1.30943e+02 200.213 3.34592e+01 200.213 0.9457 
1 1 1 16 3  8  o 13 2.64764e+02 2.70216e+01 7.97392e+01 39.248  5.06484e+00  4.13784e+00  0.00000e+00 0.00000e+00 9.37005e+01 39.248  1.39613e+01 39.248  0.9200 
1 1 1 16 3  9  o 7  2.40402e+02 2.01519e+01 1.34492e+02 85.059  9.30812e-01  1.07659e+01  0.00000e+00 0.00000e+00 2.92581e+01 85.059  1.05234e+02 265.059 0.9525 
1 1 1 16 3  10 o 8  4.18909e+02 2.03832e+01 9.84667e+01 240.414 -6.01368e+00 -1.05919e+01 0.00000e+00 0.00000e+00 1.89895e+02 240.414 9.14284e+01 240.414 0.9580 
1 1 1 16 3  11 o 14 2.77589e+02 1.69762e+01 1.20177e+02 257.318 -2.30867e+00 -1.02590e+01 0.00000e+00 0.00000e+00 7.05498e+01 257.318 4.96271e+01 77.318  0.9512 
1 1 1 16 3  12 o 11 2.48170e+02 1.77088e+01 5.42212e+01 339.282 4.98245e+00  -1.88450e+00 0.00000e+00 0.00000e+00 1.08134e+02 339.282 5.39131e+01 339.282 0.9005 
1 1 1 16 3  13 o 18 2.13220e+02 1.63547e+01 6.48166e+01 133.750 -4.16246e+00 4.34819e+00  0.00000e+00 0.00000e+00 7.74598e+01 133.750 1.26432e+01 133.750 0.9127 
1 1 1 16 3  14 o 19 2.04732e+02 3.03876e+01 4.74527e+01 149.788 -3.76137e+00 2.19024e+00  0.00000e+00 0.00000e+00 8.45431e+01 149.788 3.70905e+01 149.788 0.8758 
1 1 1 16 3  15 o 11 3.15128e+02 2.01044e+01 6.54135e+01 4.253   1.14962e+01  8.54911e-01  0.00000e+00 0.00000e+00 1.57887e+02 4.253   9.24732e+01 4.253   0.9556 
1 1 1 16 3  16 o 7  2.01313e+02 2.00698e+01 4.86763e+01 54.824  3.67280e+00  5.21114e+00  0.00000e+00 0.00000e+00 8.94114e+01 54.824  4.07351e+01 54.824  0.9178 
1 1 1 16 3  17 o 7  1.75586e+02 2.28246e+01 3.93648e+01 174.331 -5.00913e+00 4.97267e-01  0.00000e+00 0.00000e+00 7.89511e+01 174.331 3.95863e+01 174.331 0.8942 
1 1 1 16 3  18 o 18 1.66623e+02 2.42239e+01 3.30557e+01 243.297 -1.85731e+00 -3.69229e+00 0.00000e+00 0.00000e+00 7.69596e+01 243.297 4.39039e+01 243.297 0.8685 
1 1 1 16 3  19 o 7  1.02167e+02 2.96078e+01 3.79981e+01 31.693  2.50945e+00  1.54947e+00  0.00000e+00 0.00000e+00 2.52079e+01 31.693  1.27902e+01 211.693 0.8062 
1 1 1 16 3  20 o 15 1.03398e+02 2.91274e+01 7.08401e+00 187.885 -5.94888e-01 -8.23850e-02 0.00000e+00 0.00000e+00 1.59550e+01 187.885 8.87097e+00 187.885 0.2875 
1 1 1 16 3  21 o 12 7.84124e+01 2.94194e+01 3.06096e+01 214.375 -2.07105e+00 -1.41677e+00 0.00000e+00 0.00000e+00 1.64231e+01 214.375 1.41865e+01 34.375  0.7660 
1 1 1 16 3  22 o 14 1.30046e+02 2.73952e+01 4.33036e+01 301.356 3.05454e+00  -5.01278e+00 0.00000e+00 0.00000e+00 5.04033e+01 301.356 7.09978e+00 301.356 0.9103 
1 1 1 16 3  23 o 2  4.46994e+01 2.16920e+01 9.27092e+00 84.813  5.47297e-02  6.02845e-01  0.00000e+00 0.00000e+00 1.09285e+00 84.813  8.17807e+00 264.813 0.2896 
1 1 1 16 3  24 o 2  6.16333e+01 2.69299e+01 2.58350e+01 123.334 -1.29544e+00 1.96956e+00  0.00000e+00 0.00000e+00 1.15425e+01 123.334 1.42925e+01 303.334 0.7486 
1 1 1 16 3  25 o 9  5.34056e+01 2.47563e+01 3.56804e+00 161.985 -3.41852e-01 1.11176e-01  0.00000e+00 0.00000e+00 4.18088e+00 161.985 6.12835e-01 161.985 0.1769 
1 1 1 16 4  0  o 13 7.24056e+02 3.70624e+01 2.97397e+02 180.000 -2.35553e+01 0.00000e+00  0.00000e+00 0.00000e+00 2.11795e+02 180.000 8.56018e+01 0.000   1.0000 
1 1 1 16 4  1  o 1  4.15571e+02 1.96259e+01 1.28987e+02 188.491 -1.18668e+01 -1.77169e+00 0.00000e+00 0.00000e+00 1.50876e+02 188.491 2.18892e+01 188.491 0.9574 
1 1 1 16 4  2  o 13 4.57732e+02 2.02308e+01 1.64392e+02 19.112  1.58544e+01  5.49367e+00  0.00000e+00 0.00000e+00 1.48078e+02 19.112  1.63144e+01 199.112 0.9697 
1 1 1 16 4  3  o 7  1.57864e+02 2.16072e+01 3.11699e+01 79.345  2.01334e-01  1.07009e+00  0.00000e+00 0.00000e+00 2.19049e+01 79.345  9.26505e+00 259.345 0.4770 
1 1 1 16 4  5  o 17 1.15024e+02 2.61080e+01 4.94812e+01 26.039  1.39318e+00  6.80684e-01  0.00000e+00 0.00000e+00 4.27365e-02 26.039  4.94385e+01 206.039 0.6084 
1 1 1 16 4  6  o 12 1.32770e+02 2.44115e+01 5.43752e+01 83.343  2.33961e-01  2.00450e+00  0.00000e+00 0.00000e+00 1.16484e+01 83.343  4.27268e+01 263.343 0.7007 
1 1 1 16 4  7  o 11 1.43969e+02 2.41424e+01 2.54258e+01 328.330 8.65393e-01  -5.33854e-01 0.00000e+00 0.00000e+00 2.09387e+01 328.330 4.48712e+00 148.330 0.4523 
1 1 1 16 4  8  o 19 1.70917e+02 2.21608e+01 3.57559e+01 145.735 -1.60203e+00 1.09138e+00  0.00000e+00 0.00000e+00 4.82126e+01 145.735 1.24567e+01 145.735 0.6874 
1 1 1 16 4  9  o 5  2.14680e+02 2.06204e+01 7.03305e+01 239.166 -2.57291e+00 -4.31029e+00 0.00000e+00 0.00000e+00 6.74002e+01 239.166 2.93039e+00 59.166  0.8938 
1 1 1 16 4  10 o 10 6.28852e+01 2.71419e+01 3.55770e+01 210.227 -5.50421e-01 -3.20696e-01 0.00000e+00 0.00000e+00 2.18177e+01 30.227  5.73947e+01 30.227  0.3034 
1 1 1 16 4  11 o 15 1.66293e+02 2.56384e+01 5.77165e+01 104.091 -7.04921e-01 2.80837e+00  0.00000e+00 0.00000e+00 3.89741e+01 104.091 1.87423e+01 284.091 0.8020 
1 1 1 16 4  12 o 18 3.34467e+02 1.68855e+01 8.79451e+01 75.896  2.84194e+00  1.13112e+01  0.00000e+00 0.00000e+00 1.45264e+02 75.896  5.73185e+01 75.896  0.9561 
1 1 1 16 4  13 o 10 4.01161e+02 1.49850e+01 1.43745e+02 225.784 -1.88346e+01 -1.93573e+01 0.00000e+00 0.00000e+00 1.45151e+02 225.784 1.40552e+00 225.784 0.9813 
1 1 1 16 4  14 o 7  2.09077e+02 1.71972e+01 8.63376e+01 277.222 1.13158e+00  -8.92935e+00 0.00000e+00 0.00000e+00 5.92927e+01 277.222 2.70449e+01 97.222  0.9427 
1 1 1 16 4  15 o 6  2.98307e+02 1.76061e+01 9.97348e+01 25.869  1.52370e+01  7.38842e+00  0.00000e+00 0.00000e+00 1.15637e+02 25.869  1.59027e+01 25.869  0.9700 
1 1 1 16 4  16 o 17 1.41229e+02 2.59838e+01 4.52547e+01 89.723  1.88085e-02  3.89165e+00  0.00000e+00 0.00000e+00 4.57739e+01 89.723  5.19198e-01 89.723  0.8592 
1 1 1 16 4  17 o 3  6.28265e+01 2.84769e+01 7.87051e+00 98.866  -5.62143e-02 3.60385e-01  0.00000e+00 0.00000e+00 6.55305e-01 98.866  7.21521e+00 278.866 0.1794 
1 1 1 16 4  18 o 16 1.78865e+02 2.29171e+01 4.90319e+01 258.040 -1.47440e+00 -6.96023e+00 0.00000e+00 0.00000e+00 7.74712e+01 258.040 2.84393e+01 258.040 0.9268 
1 1 1 16 4  19 o 15 6.58407e+01 2.75022e+01 7.83850e+00 104.093 -9.87499e-02 3.93354e-01  0.00000e+00 0.00000e+00 2.23977e+00 104.093 5.59873e+00 284.093 0.1987 
1 1 1 16 4  20 o 5  1.22233e+02 2.77534e+01 1.52681e+01 63.520  6.98394e-01  1.40200e+00  0.00000e+00 0.00000e+00 4.29328e+01 63.520  2.76647e+01 63.520  0.6121 
1 1 1 16 4  21 o 7  1.17643e+02 2.94532e+01 6.44531e+01 180.070 -7.90525e+00 -9.61054e-03 0.00000e+00 0.00000e+00 2.19476e+01 180.070 4.25055e+01 0.070   0.9344 
1 1 1 16 4  22 o 14 6.55602e+01 2.76547e+01 1.41676e+01 191.686 -1.02747e+00 -2.12524e-01 0.00000e+00 0.00000e+00 9.97920e+00 191.686 4.18841e+00 11.686  0.4636 
1 1 1 16 4  23 o 15 1.04771e+02 3.10504e+01 4.80015e+01 331.090 4.98041e+00  -2.75051e+00 0.00000e+00 0.00000e+00 2.83836e+01 331.090 1.96179e+01 151.090 0.9072 
1 1 1 16 4  24 o 16 9.58733e+01 3.13629e+01 7.44976e+00 55.298  5.20106e-01  7.51084e-01  0.00000e+00 0.00000e+00 2.48998e+01 55.298  1.74500e+01 55.298  0.4149 
1 1 1 16 4  25 o 7  6.44978e+01 2.77560e+01 1.58682e+01 75.325  4.35075e-01  1.66133e+00  0.00000e+00 0.00000e+00 1.84062e+01 75.325  2.53794e+00 75.325  0.6455 
1 1 1 16 5  0  o 2  5.13063e+02 3.05043e+01 1.81667e+02 180.000 -1.03261e+01 0.00000e+00  0.00000e+00 0.00000e+00 1.80879e+02 180.000 7.87803e-01 0.000   1.0000 
1 1 1 16 5  1  o 19 2.41696e+02 1.91997e+01 1.05201e+02 29.807  4.92272e+00  2.82005e+00  0.00000e+00 0.00000e+00 4.97387e+01 29.807  5.54622e+01 209.807 0.9070 
1 1 1 16 5  2  o 1  6.46746e+02 3.45637e+01 1.80051e+02 33.987  2.52651e+01  1.70333e+01  0.00000e+00 0.00000e+00 2.69850e+02 33.987  8.97990e+01 33.987  0.9835 
1 1 1 16 5  3  o 9  2.62696e+02 1.85920e+01 1.16131e+02 203.927 -7.89445e+00 -3.50277e+00 0.00000e+00 0.00000e+00 5.87923e+01 203.927 5.73384e+01 23.927  0.9402 
1 1 1 16 5  4  o 17 3.30019e+02 1.85338e+01 5.89436e+01 275.555 5.30903e-01  -5.45893e+00 0.00000e+00 0.00000e+00 1.52613e+02 275.555 9.36690e+01 275.555 0.9035 
1 1 1 16 5  5  o 6  2.07340e+02 1.92034e+01 4.99899e+01 186.314 -2.95328e+00 -3.26798e-01 0.00000e+00 0.00000e+00 6.91178e+01 186.314 1.91279e+01 186.314 0.8078 
1 1 1 16 5  6  o 15 1.43257e+02 2.40418e+01 5.26600e+01 196.435 -2.01785e+00 -5.95243e-01 0.00000e+00 0.00000e+00 2.02883e+01 196.435 3.23717e+01 16.435  0.7141 
1 1 1 16 5  7  o 8  3.84097e+02 1.91277e+01 1.12039e+02 40.787  1.05327e+01  9.08749e+00  0.00000e+00 0.00000e+00 1.52682e+02 40.787  4.06437e+01 40.787  0.9634 
1 1 1 16 5  8  o 13 7.11578e+01 2.79848e+01 4.26172e+01 141.066 -7.56222e-01 6.10936e-01  0.00000e+00 0.00000e+00 2.03149e+01 321.066 6.29321e+01 321.066 0.4364 
1 1 1 16 5  9  o 6  3.19838e+02 1.92409e+01 8.37298e+01 218.540 -6.23919e+00 -4.97006e+00 0.00000e+00 0.00000e+00 1.31957e+02 218.540 4.82272e+01 218.540 0.9350 
1 1 1 16 5  10 o 12 6.59760e+01 2.61768e+01 4.48552e+01 324.481 7.29802e-01  -5.20936e-01 0.00000e+00 0.00000e+00 2.53207e+01 144.481 7.01759e+01 144.481 0.4086 
1 1 1 16 5  11 o 1  2.34752e+02 1.77189e+01 6.22399e+01 51.113  3.65236e+00  4.52859e+00  0.00000e+00 0.00000e+00 9.32939e+01 51.113  3.10539e+01 51.113  0.9094 
1 1 1 16 5  12 o 9  9.11314e+01 2.97334e+01 3.11850e+01 73.071  3.30179e-01  1.08478e+00  0.00000e+00 0.00000e+00 1.65844e+00 73.071  2.95266e+01 253.071 0.4918 
1 1 1 16 5  13 o 14 9.18274e+01 2.77461e+01 2.95649e+01 9.901   1.14168e+00  1.99269e-01  0.00000e+00 0.00000e+00 4.28342e+00 9.901   2.52815e+01 189.901 0.4999 
1 1 1 16 5  14 o 19 1.26930e+02 2.58604e+01 5.28167e+01 109.943 -1.06371e+00 2.93161e+00  0.00000e+00 0.00000e+00 2.43060e+01 109.943 2.85107e+01 289.943 0.8184 
1 1 1 16 5  16 o 18 2.03448e+02 1.89513e+01 5.84781e+01 256.305 -2.16602e+00 -8.88880e+00 0.00000e+00 0.00000e+00 8.62308e+01 256.305 2.77526e+01 256.305 0.9437 
1 1 1 16 5  17 o 4  1.56676e+02 2.27561e+01 4.14287e+01 345.423 5.03380e+00  -1.30904e+00 0.00000e+00 0.00000e+00 6.54888e+01 345.423 2.40601e+01 345.423 0.8978 
1 1 1 16 5  18 o 17 1.51596e+02 2.59789e+01 3.57714e+01 39.627  3.23036e+00  2.67494e+00  0.00000e+00 0.00000e+00 6.54281e+01 39.627  2.96567e+01 39.627  0.8706 
1 1 1 16 5  19 o 1  7.01697e+01 2.89703e+01 3.91989e+01 142.439 -1.71928e+00 1.32215e+00  0.00000e+00 0.00000e+00 1.02108e-01 142.439 3.90968e+01 322.439 0.7236 
1 1 1 16 5  20 o 5  1.07307e+02 3.31095e+01 3.84693e+01 228.889 -2.30548e+00 -2.64183e+00 0.00000e+00 0.00000e+00 3.21057e+01 228.889 6.36358e+00 48.889  0.8414 
1 1 1 16 5  21 o 4  9.85481e+01 3.05426e+01 1.65589e+01 168.847 -1.57871e+00 3.11255e-01  0.00000e+00 0.00000e+00 3.18479e+01 168.847 1.52890e+01 168.847 0.6220 
1 1 1 16 5  22 o 4  8.29646e+01 3.00573e+01 3.18827e+01 45.224  1.97641e+00  1.99195e+00  0.00000e+00 0.00000e+00 2.07455e+01 45.224  1.11372e+01 225.224 0.7946 
1 1 1 16 5  23 o 5  8.40797e+01 3.04670e+01 1.67727e+01 12.242  1.85046e+00  4.01494e-01  0.00000e+00 0.00000e+00 2.93592e+01 12.242  1.25865e+01 12.242  0.6795 
1 1 1 16 5  24 o 3  9.92588e+01 3.15142e+01 3.14909e+01 274.384 3.13951e-01  -4.09471e+00 0.00000e+00 0.00000e+00 3.88675e+01 274.384 7.37657e+00 274.384 0.8675 
1 1 1 16 5  25 o 9  7.64852e+01 2.99068e+01 8.16188e+00 304.837 5.49574e-01  -7.89641e-01 0.00000e+00 0.00000e+00 1.92218e+01 304.837 1.10600e+01 304.837 0.4328 
1 1 1 16 6  0  o 4  1.19870e+02 4.17323e+01 4.63285e+01 0.000   7.46804e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.62450e+00 0.000   3.87040e+01 180.000 0.6332 
1 1 1 16 6  2  o 18 1.21148e+02 3.34241e+01 3.42647e+01 277.047 1.33503e-01  -1.08000e+00 0.00000e+00 0.00000e+00 6.83210e+00 277.047 2.74326e+01 97.047  0.4768 
1 1 1 16 6  3  o 12 6.36681e+02 2.38440e+01 1.49200e+02 211.179 -2.29327e+01 -1.38768e+01 0.00000e+00 0.00000e+00 2.95830e+02 211.179 1.46630e+02 211.179 0.9812 
1 1 1 16 6  4  o 12 2.64741e+02 1.86760e+01 1.18612e+02 85.459  7.14295e-01  8.99442e+00  0.00000e+00 0.00000e+00 5.95235e+01 85.459  5.90885e+01 265.459 0.9428 
1 1 1 16 6  5  o 15 4.63981e+02 2.00931e+01 1.21302e+02 40.937  1.20837e+01  1.04809e+01  0.00000e+00 0.00000e+00 2.00028e+02 40.937  7.87266e+01 40.937  0.9682 
1 1 1 16 6  6  o 11 1.09946e+02 2.73187e+01 5.21315e+01 228.403 -1.18106e+00 -1.33043e+00 0.00000e+00 0.00000e+00 2.45830e-01 48.403  5.23773e+01 48.403  0.6579 
1 1 1 16 6  7  o 3  1.98258e+02 2.03446e+01 4.41606e+01 190.388 -2.89398e+00 -5.30527e-01 0.00000e+00 0.00000e+00 7.07785e+01 190.388 2.66179e+01 190.388 0.8056 
1 1 1 16 6  8  o 13 6.39358e+01 2.66946e+01 3.63647e+01 342.874 7.14785e-01  -2.20255e-01 0.00000e+00 0.00000e+00 2.01980e+01 162.874 5.65627e+01 162.874 0.3500 
1 1 1 16 6  9  o 11 1.12831e+02 3.01463e+01 3.32243e+01 171.213 -1.03846e+00 1.60514e-01  0.00000e+00 0.00000e+00 4.76395e+00 171.213 2.84603e+01 351.213 0.4641 
1 1 1 16 6  10 o 19 7.20002e+01 2.77961e+01 2.32821e+01 32.776  4.21164e-01  2.71174e-01  0.00000e+00 0.00000e+00 1.05329e+01 212.776 3.38150e+01 212.776 0.2429 
1 1 1 16 6  11 o 13 1.78063e+02 2.10778e+01 7.20916e+01 238.827 -2.58622e+00 -4.27484e+00 0.00000e+00 0.00000e+00 4.44713e+01 238.827 2.76203e+01 58.827  0.8933 
1 1 1 16 6  12 o 17 3.70441e+02 1.72267e+01 1.02016e+02 261.109 -2.53962e+00 -1.62343e+01 0.00000e+00 0.00000e+00 1.62583e+02 261.109 6.05667e+01 261.109 0.9691 
1 1 1 16 6  13 o 3  7.05796e+01 2.86332e+01 6.81712e+01 13.121  2.14205e+00  4.99315e-01  0.00000e+00 0.00000e+00 3.00617e+01 193.121 9.82329e+01 193.121 0.7280 
1 1 1 16 6  14 o 4  3.68320e+02 1.72054e+01 9.49113e+01 66.809  7.91290e+00  1.84704e+01  0.00000e+00 0.00000e+00 1.73217e+02 66.809  7.83053e+01 66.809  0.9748 
1 1 1 16 6  15 o 11 1.54558e+02 2.35507e+01 5.17093e+01 129.661 -3.21589e+00 3.87895e+00  0.00000e+00 0.00000e+00 5.22688e+01 129.661 5.59527e-01 129.661 0.8943 
1 1 1 16 6  16 o 3  2.12038e+02 1.87813e+01 4.35991e+01 238.302 -3.73100e+00 -6.04159e+00 0.00000e+00 0.00000e+00 1.05372e+02 238.302 6.17725e+01 238.302 0.9266 
1 1 1 16 6  17 o 2  1.03349e+02 3.06947e+01 1.60012e+01 253.682 -3.18091e-01 -1.08649e+00 0.00000e+00 0.00000e+00 2.28132e+01 253.682 6.81200e+00 253.682 0.4912 
1 1 1 16 6  18 o 14 1.30095e+02 2.91354e+01 3.75526e+01 130.236 -2.42979e+00 2.87156e+00  0.00000e+00 0.00000e+00 4.81087e+01 130.236 1.05561e+01 130.236 0.8537 
1 1 1 16 6  19 o 2  1.39283e+02 2.85003e+01 2.73806e+01 214.554 -2.62008e+00 -1.80439e+00 0.00000e+00 0.00000e+00 6.18129e+01 214.554 3.44323e+01 214.554 0.8225 
1 1 1 16 6  20 o 7  1.13780e+02 2.92962e+01 2.99544e+01 206.000 -3.22795e+00 -1.57435e+00 0.00000e+00 0.00000e+00 4.57029e+01 206.000 1.57485e+01 206.000 0.8457 
1 1 1 16 6  21 o 11 8.20545e+01 2.99319e+01 2.78760e+01 12.131  2.21112e+00  4.75259e-01  0.00000e+00 0.00000e+00 2.01242e+01 12.131  7.75175e+00 192.131 0.7364 
1 1 1 16 6  22 o 17 1.77114e+02 2.25566e+01 6.85011e+01 347.219 1.74838e+01  -3.96603e+00 0.00000e+00 0.00000e+00 6.97059e+01 347.219 1.20480e+00 347.219 0.9717 
1 1 1 16 6  23 o 9  6.47426e+01 2.89630e+01 3.29824e+01 163.114 -2.87383e+00 8.72347e-01  0.00000e+00 0.00000e+00 9.62387e+00 163.114 2.33585e+01 343.114 0.8102 
1 1 1 16 6  24 o 9  5.32464e+01 2.47770e+01 3.46876e+01 150.779 -2.79089e+00 1.56112e+00  0.00000e+00 0.00000e+00 1.35658e+00 150.779 3.33310e+01 330.779 0.8236 
1 1 1 16 6  25 o 16 9.20230e+01 3.08559e+01 2.32638e+01 277.068 3.91314e-01  -3.15605e+00 0.00000e+00 0.00000e+00 3.97168e+01 277.068 1.64531e+01 277.068 0.8225 
1 1 1 16 7  0  o 19 4.39738e+02 2.87415e+01 1.86749e+02 0.000   1.17619e+01  0.00000e+00  0.00000e+00 0.00000e+00 1.27986e+02 0.000   5.87627e+01 180.000 1.0000 
1 1 1 16 7  1  f 0  1.43400e+02 2.54963e+01 5.64756e+01 21.983  2.09896e+00  8.47299e-01  0.00000e+00 0.00000e+00 1.91485e+01 21.983  3.73271e+01 201.983 0.7366 
1 1 1 16 7  3  o 16 8.29940e+01 2.79201e+01 3.58398e+01 359.396 8.16888e-01  -8.60890e-03 0.00000e+00 0.00000e+00 1.33475e+01 179.396 4.91872e+01 179.396 0.3778 
1 1 1 16 7  4  o 11 3.27198e+02 1.86023e+01 5.04369e+01 330.514 4.69393e+00  -2.65416e+00 0.00000e+00 0.00000e+00 1.61594e+02 330.514 1.11157e+02 330.514 0.9018 
1 1 1 16 7  5  o 8  1.19302e+02 2.64496e+01 7.83771e+01 202.006 -2.70605e+00 -1.09366e+00 0.00000e+00 0.00000e+00 9.30881e+00 22.006  8.76859e+01 22.006  0.8038 
1 1 1 16 7  6  o 3  1.24731e+02 2.57878e+01 5.26777e+01 49.398  1.39684e+00  1.62962e+00  0.00000e+00 0.00000e+00 1.22218e+01 49.398  4.04559e+01 229.398 0.7204 
1 1 1 16 7  7  o 13 6.20094e+01 2.62089e+01 5.73645e+01 58.915  5.94178e-01  9.85554e-01  0.00000e+00 0.00000e+00 3.50198e+01 238.915 9.23844e+01 238.915 0.4973 
1 1 1 16 7  8  o 8  3.40718e+02 1.94814e+01 1.07180e+02 182.189 -1.08538e+01 -4.14958e-01 0.00000e+00 0.00000e+00 1.28951e+02 182.189 2.17714e+01 182.189 0.9528 
1 1 1 16 7  9  o 15 1.02466e+02 3.15642e+01 5.01749e+00 45.492  1.05610e-01  1.07439e-01  0.00000e+00 0.00000e+00 6.04906e-01 45.492  4.41258e+00 225.492 0.0751 
1 1 1 16 7  10 o 8  1.71514e+02 2.12238e+01 4.62556e+01 58.260  1.63237e+00  2.63890e+00  0.00000e+00 0.00000e+00 5.66391e+01 58.260  1.03835e+01 58.260  0.8173 
1 1 1 16 7  11 o 7  1.95119e+02 2.05761e+01 5.34673e+01 200.687 -4.18691e+00 -1.58103e+00 0.00000e+00 0.00000e+00 7.31783e+01 200.687 1.97110e+01 200.687 0.8796 
1 1 1 16 7  12 o 15 1.19652e+02 3.02625e+01 1.60599e+01 96.664  -9.33380e-02 7.98829e-01  0.00000e+00 0.00000e+00 1.70444e+01 96.664  9.84529e-01 96.664  0.3728 
1 1 1 16 7  13 o 4  1.18835e+02 3.09622e+01 5.62014e+01 167.575 -3.30577e+00 7.28310e-01  0.00000e+00 0.00000e+00 1.78991e+01 167.575 3.83023e+01 347.575 0.8349 
1 1 1 16 7  14 o 5  1.56900e+02 2.43394e+01 3.68968e+01 296.180 1.50678e+00  -3.06487e+00 0.00000e+00 0.00000e+00 6.18066e+01 296.180 2.49098e+01 296.180 0.8366 
1 1 1 16 7  15 o 18 2.73525e+02 1.83449e+01 6.76859e+01 335.122 1.11258e+01  -5.15922e+00 0.00000e+00 0.00000e+00 1.30878e+02 335.122 6.31917e+01 335.122 0.9583 
1 1 1 16 7  16 o 19 1.00787e+02 2.84481e+01 3.12212e+01 68.138  8.66856e-01  2.16052e+00  0.00000e+00 0.00000e+00 2.60972e+01 68.138  5.12406e+00 248.138 0.7449 
1 1 1 16 7  17 o 6  1.59118e+02 3.79363e+01 5.99425e+01 114.619 -2.51604e+00 5.49058e+00  0.00000e+00 0.00000e+00 5.18921e+01 114.619 8.05040e+00 294.619 0.9130 
1 1 1 16 7  18 o 19 8.14688e+01 3.05035e+01 3.74073e+01 208.579 -2.00449e+00 -1.09194e+00 0.00000e+00 0.00000e+00 9.36060e+00 208.579 2.80467e+01 28.579  0.7391 
1 1 1 16 7  19 o 7  8.46239e+01 3.14220e+01 2.47366e+01 295.621 7.11904e-01  -1.48445e+00 0.00000e+00 0.00000e+00 1.70765e+01 295.621 7.66007e+00 115.621 0.6303 
1 1 1 16 7  20 o 1  7.13508e+01 2.91162e+01 3.81802e+01 26.052  2.58082e+00  1.26166e+00  0.00000e+00 0.00000e+00 7.01671e+00 26.052  3.11635e+01 206.052 0.8001 
1 1 1 16 7  21 o 19 5.66515e+01 2.54486e+01 1.36349e+01 121.778 -4.44307e-01 7.17202e-01  0.00000e+00 0.00000e+00 3.96038e+00 121.778 9.67447e+00 301.778 0.3883 
1 1 1 16 7  22 o 3  8.39782e+01 3.01000e+01 2.81282e+01 231.154 -1.72699e+00 -2.14440e+00 0.00000e+00 0.00000e+00 2.55166e+01 231.154 2.61159e+00 51.154  0.7900 
1 1 1 16 7  23 o 6  7.41411e+01 2.91542e+01 3.22723e+01 229.273 -2.15187e+00 -2.49941e+00 0.00000e+00 0.00000e+00 1.80463e+01 229.273 1.42260e+01 49.273  0.8298 
1 1 1 16 7  24 o 15 4.20912e+01 2.06485e+01 1.70397e+01 50.217  9.14327e-01  1.09808e+00  0.00000e+00 0.00000e+00 3.09743e+00 50.217  1.39423e+01 230.217 0.5781 
1 1 1 16 8  0  o 6  1.86698e+02 3.37102e+01 5.64700e+01 0.000   1.68276e+00  0.00000e+00  0.00000e+00 0.00000e+00 6.92331e+01 0.000   1.27631e+01 0.000   0.9332 
1 1 1 16 8  2  o 2  5.98815e+01 2.55110e+01 6.90229e+00 113.808 -5.26396e-02 1.19305e-01  0.00000e+00 0.00000e+00 4.08853e+00 293.808 1.09908e+01 293.808 0.0651 
1 1 1 16 8  3  o 13 3.77026e+02 2.73624e+01 1.36231e+02 38.566  1.24957e+01  9.96294e+00  0.00000e+00 0.00000e+00 1.27731e+02 38.566  8.49987e+00 218.566 0.9682 
1 1 1 16 8  4  o 19 7.06920e+01 2.71739e+01 3.39130e+01 89.715  3.88266e-03  7.79905e-01  0.00000e+00 0.00000e+00 1.53227e+01 269.715 4.92357e+01 269.715 0.3630 
1 1 1 16 8  5  o 13 5.33012e+02 2.16792e+01 1.61971e+02 180.643 -2.88564e+01 -3.23628e-01 0.00000e+00 0.00000e+00 2.18252e+02 180.643 5.62803e+01 180.643 0.9825 
1 1 1 16 8  6  o 13 8.80517e+01 2.89416e+01 2.35835e+01 257.077 -1.32761e-01 -5.78580e-01 0.00000e+00 0.00000e+00 5.34782e+00 77.077  2.89313e+01 77.077  0.2845 
1 1 1 16 8  7  o 8  4.06501e+02 1.98324e+01 1.01219e+02 333.791 1.09866e+01  -5.40812e+00 0.00000e+00 0.00000e+00 1.83314e+02 333.791 8.20958e+01 333.791 0.9583 
1 1 1 16 8  8  o 6  2.35411e+02 2.14652e+01 7.79271e+01 357.892 5.71643e+00  -2.10422e-01 0.00000e+00 0.00000e+00 7.87626e+01 357.892 8.35466e-01 357.892 0.9078 
1 1 1 16 8  9  o 2  1.56051e+02 2.79039e+01 4.75060e+01 100.677 -5.14927e-01 2.73126e+00  0.00000e+00 0.00000e+00 4.35323e+01 100.677 3.97365e+00 280.677 0.7923 
1 1 1 16 8  10 o 13 2.42365e+02 1.84851e+01 9.10865e+01 211.807 -8.19521e+00 -5.08258e+00 0.00000e+00 0.00000e+00 7.86708e+01 211.807 1.24157e+01 31.807  0.9466 
1 1 1 16 8  11 o 7  1.59885e+02 2.35083e+01 2.54218e+01 313.247 1.24223e+00  -1.32066e+00 0.00000e+00 0.00000e+00 5.36129e+01 313.247 2.81911e+01 313.247 0.6646 
1 1 1 16 8  12 o 10 3.58668e+02 1.79362e+01 1.24643e+02 62.469  1.03447e+01  1.98454e+01  0.00000e+00 0.00000e+00 1.37632e+02 62.469  1.29885e+01 62.469  0.9774 
1 1 1 16 8  13 o 8  8.52810e+01 3.18863e+01 5.11741e+01 76.298  5.15643e-01  2.11493e+00  0.00000e+00 0.00000e+00 4.63774e+00 256.298 5.58119e+01 256.298 0.7248 
1 1 1 16 8  14 o 15 1.07282e+02 3.05766e+01 3.43193e+01 296.163 9.41380e-01  -1.91627e+00 0.00000e+00 0.00000e+00 2.41316e+01 296.163 1.01878e+01 116.163 0.7187 
1 1 1 16 8  15 o 18 1.26555e+02 2.75180e+01 5.42843e+01 215.265 -3.86838e+00 -2.73546e+00 0.00000e+00 0.00000e+00 3.14255e+01 215.265 2.28588e+01 35.265  0.8869 
1 1 1 16 8  16 o 1  6.84165e+01 2.76401e+01 4.63739e+01 187.788 -2.26672e+00 -3.10032e-01 0.00000e+00 0.00000e+00 7.42096e+00 7.788   5.37948e+01 7.788   0.7398 
1 1 1 16 8  17 o 15 1.69624e+02 2.18558e+01 4.02617e+01 265.282 -4.88803e-01 -5.92281e+00 0.00000e+00 0.00000e+00 7.97157e+01 265.282 3.94540e+01 265.282 0.9115 
1 1 1 16 8  18 o 14 6.12694e+01 2.64813e+01 1.75085e+01 303.003 4.82206e-01  -7.42444e-01 0.00000e+00 0.00000e+00 1.88365e+00 303.003 1.56249e+01 123.003 0.4043 
1 1 1 16 8  19 o 4  1.18815e+02 3.11067e+01 4.31628e+01 89.355  5.12596e-02  4.55562e+00  0.00000e+00 0.00000e+00 3.96461e+01 89.355  3.51665e+00 269.355 0.8820 
1 1 1 16 8  20 o 17 1.46689e+02 2.87490e+01 3.97074e+01 32.162  5.08172e+00  3.19541e+00  0.00000e+00 0.00000e+00 6.71034e+01 32.162  2.73961e+01 32.162  0.9124 
1 1 1 16 8  21 o 3  1.41527e+02 2.51678e+01 4.88379e+01 305.298 4.79898e+00  -6.77831e+00 0.00000e+00 0.00000e+00 5.81733e+01 305.298 9.33542e+00 305.298 0.9377 
1 1 1 16 8  22 o 9  1.16884e+02 2.90961e+01 4.63298e+01 172.414 -7.54377e+00 1.00463e+00  0.00000e+00 0.00000e+00 4.24464e+01 172.414 3.88341e+00 352.414 0.9318 
1 1 1 16 8  23 o 2  1.03037e+02 3.30767e+01 4.87435e+01 151.770 -5.51176e+00 2.95904e+00  0.00000e+00 0.00000e+00 2.90824e+01 151.770 1.96612e+01 331.770 0.9162 
1 1 1 16 8  24 o 11 7.42048e+01 2.96930e+01 2.52672e+01 310.313 1.88415e+00  -2.22073e+00 0.00000e+00 0.00000e+00 2.44617e+01 310.313 8.05504e-01 130.313 0.8033 
1 1 1 16 9  0  o 10 1.53977e+02 3.89914e+01 2.94681e+00 0.000   7.37216e-02  0.00000e+00  0.00000e+00 0.00000e+00 5.30262e+00 0.000   2.35581e+00 0.000   0.0736 
1 1 1 16 9  1  o 3  7.03057e+01 2.73370e+01 4.34063e+01 271.398 2.42215e-02  -9.92324e-01 0.00000e+00 0.00000e+00 2.06859e+01 91.398  6.40923e+01 91.398  0.4438 
1 1 1 16 9  2  o 7  8.37064e+01 2.84486e+01 4.37604e+01 258.023 -2.45044e-01 -1.15514e+00 0.00000e+00 0.00000e+00 1.28431e+01 78.023  5.66035e+01 78.023  0.5068 
1 1 1 16 9  3  o 7  5.35740e+01 2.39795e+01 2.94159e+01 131.802 -3.47262e-01 3.88370e-01  0.00000e+00 0.00000e+00 1.95631e+01 311.802 4.89790e+01 311.802 0.2520 
1 1 1 16 9  4  o 5  9.95109e+01 2.94019e+01 1.38857e+01 217.364 -3.14201e-01 -2.39912e-01 0.00000e+00 0.00000e+00 2.18739e-01 217.364 1.36670e+01 37.364  0.1939 
1 1 1 16 9  5  o 6  1.69177e+02 2.30062e+01 5.98933e+01 21.210  2.78711e+00  1.08162e+00  0.00000e+00 0.00000e+00 4.04071e+01 21.210  1.94862e+01 201.210 0.8092 
1 1 1 16 9  6  o 11 1.08322e+02 2.72109e+01 5.91959e+01 146.662 -1.63134e+00 1.07315e+00  0.00000e+00 0.00000e+00 4.29606e+00 326.662 6.34919e+01 326.662 0.6898 
1 1 1 16 9  7  o 15 3.05976e+02 1.98946e+01 1.29978e+02 166.624 -1.21714e+01 2.89435e+00  0.00000e+00 0.00000e+00 8.63465e+01 166.624 4.36314e+01 346.623 0.9592 
1 1 1 16 9  8  o 2  8.98002e+01 3.13274e+01 3.17811e+01 256.460 -2.44121e-01 -1.01373e+00 0.00000e+00 0.00000e+00 1.13003e+00 76.460  3.29112e+01 76.460  0.4613 
1 1 1 16 9  9  o 11 7.90844e+01 2.90916e+01 2.37739e+01 304.450 4.30771e-01  -6.27939e-01 0.00000e+00 0.00000e+00 2.87854e+00 124.450 2.66525e+01 124.450 0.3556 
1 1 1 16 9  10 o 19 1.30806e+02 2.73854e+01 3.17769e+01 18.119  1.71281e+00  5.60467e-01  0.00000e+00 0.00000e+00 3.29223e+01 18.119  1.14537e+00 18.119  0.6625 
1 1 1 16 9  11 o 9  2.09884e+02 2.08943e+01 7.01627e+01 309.654 4.62856e+00  -5.58418e+00 0.00000e+00 0.00000e+00 7.60747e+01 309.654 5.91202e+00 309.654 0.9283 
1 1 1 16 9  12 o 19 1.09651e+02 3.12926e+01 4.50441e+01 27.090  2.21971e+00  1.13541e+00  0.00000e+00 0.00000e+00 1.82238e+01 27.090  2.68203e+01 207.090 0.7643 
1 1 1 16 9  13 f 0  8.92737e+01 3.42071e+01 2.90020e+01 133.555 -9.33109e-01 9.81420e-01  0.00000e+00 0.00000e+00 8.84265e+00 133.555 2.01593e+01 313.555 0.5580 
1 1 1 16 9  14 o 6  8.02982e+01 3.07707e+01 1.70428e+01 294.053 3.68499e-01  -8.25594e-01 0.00000e+00 0.00000e+00 8.22533e+00 294.053 8.81750e+00 114.053 0.4114 
1 1 1 16 9  15 o 18 1.33450e+02 2.61107e+01 3.36473e+01 109.380 -1.14630e+00 3.25867e+00  0.00000e+00 0.00000e+00 5.25949e+01 109.380 1.89476e+01 109.380 0.8387 
1 1 1 16 9  16 o 10 1.33126e+02 2.68327e+01 6.85275e+01 142.817 -5.59768e+00 4.24623e+00  0.00000e+00 0.00000e+00 2.71891e+01 142.817 4.13384e+01 322.817 0.9258 
1 1 1 16 9  17 o 16 1.97982e+02 2.51884e+01 4.15236e+01 234.746 -4.03314e+00 -5.70588e+00 0.00000e+00 0.00000e+00 1.01947e+02 234.746 6.04231e+01 234.746 0.9254 
1 1 1 16 9  18 o 19 8.70557e+01 2.96617e+01 3.03904e+01 336.455 1.97967e+00  -8.62652e-01 0.00000e+00 0.00000e+00 1.92867e+01 336.455 1.11037e+01 156.455 0.7223 
1 1 1 16 9  19 o 19 8.45707e+01 3.12571e+01 2.93992e+01 31.327  2.13000e+00  1.29646e+00  0.00000e+00 0.00000e+00 2.21443e+01 31.327  7.25491e+00 211.327 0.7643 
1 1 1 16 9  20 o 1  1.27317e+02 3.17447e+01 4.45922e+01 193.063 -5.23526e+00 -1.21468e+00 0.00000e+00 0.00000e+00 4.78286e+01 193.063 3.23639e+00 193.063 0.9014 
1 1 1 16 9  21 o 19 6.52359e+01 2.74624e+01 1.93484e+01 213.247 -1.36145e+00 -8.92488e-01 0.00000e+00 0.00000e+00 1.38912e+01 213.247 5.45725e+00 33.247  0.6262 
1 1 1 16 9  22 o 18 5.79765e+01 2.59821e+01 2.45104e+01 2.352   2.17839e+00  8.94669e-02  0.00000e+00 0.00000e+00 1.00765e+01 2.352   1.44339e+01 182.352 0.7253 
1 1 1 16 9  23 o 11 5.58362e+01 2.54593e+01 1.53615e+01 90.148  -3.73636e-03 1.44939e+00  0.00000e+00 0.00000e+00 1.17377e+01 90.148  3.62381e+00 270.148 0.5834 
1 1 1 16 9  24 o 3  6.71310e+01 2.78969e+01 1.18288e+01 350.948 1.30309e+00  -2.07600e-01 0.00000e+00 0.00000e+00 1.91556e+01 350.948 7.32676e+00 350.948 0.5482 
1 1 1 16 10 0  o 12 4.74595e+01 3.12040e+01 4.80543e+01 180.000 -3.39967e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.66248e+01 0.000   8.46791e+01 0.000   0.3274 
1 1 1 16 10 1  o 13 1.05399e+02 2.81709e+01 2.71034e+01 253.022 -2.40472e-01 -7.87629e-01 0.00000e+00 0.00000e+00 2.39040e+00 253.022 2.47130e+01 73.022  0.3804 
1 1 1 16 10 2  o 1  1.01945e+02 2.87631e+01 3.10952e+01 38.950  7.07042e-01  5.71528e-01  0.00000e+00 0.00000e+00 7.82834e-02 218.950 3.11735e+01 218.950 0.4133 
1 1 1 16 10 4  o 10 1.91765e+02 2.21065e+01 4.50114e+01 139.044 -2.04895e+00 1.77836e+00  0.00000e+00 0.00000e+00 6.63349e+01 139.044 2.13235e+01 139.044 0.7863 
1 1 1 16 10 5  o 12 1.65120e+02 2.50533e+01 5.93665e+01 352.786 2.99424e+00  -3.78979e-01 0.00000e+00 0.00000e+00 3.97821e+01 352.786 1.95844e+01 172.786 0.8113 
1 1 1 16 10 6  o 19 3.92796e+02 2.05270e+01 1.31940e+02 14.071  2.00131e+01  5.01631e+00  0.00000e+00 0.00000e+00 1.52425e+02 14.071  2.04845e+01 14.071  0.9755 
1 1 1 16 10 7  o 8  2.24575e+02 2.21046e+01 4.07948e+01 84.923  3.17482e-01  3.57383e+00  0.00000e+00 0.00000e+00 1.00600e+02 84.923  5.98052e+01 84.923  0.8456 
1 1 1 16 10 8  o 13 1.25713e+02 3.17169e+01 5.67149e+01 198.111 -2.68280e+00 -8.77425e-01 0.00000e+00 0.00000e+00 1.80749e+01 198.111 3.86401e+01 18.111  0.7960 
1 1 1 16 10 9  o 19 1.86710e+02 2.16132e+01 5.38333e+01 228.717 -3.02078e+00 -3.44052e+00 0.00000e+00 0.00000e+00 6.98630e+01 228.717 1.60297e+01 228.717 0.8826 
1 1 1 16 10 10 o 8  8.70430e+01 3.04288e+01 3.44878e+01 73.564  3.84710e-01  1.30409e+00  0.00000e+00 0.00000e+00 2.24257e+00 73.564  3.22452e+01 253.564 0.5595 
1 1 1 16 10 11 o 8  6.31932e+01 2.73562e+01 2.27780e+01 347.696 7.45347e-01  -1.62560e-01 0.00000e+00 0.00000e+00 5.71356e+00 167.696 2.84916e+01 167.696 0.3561 
1 1 1 16 10 12 f 0  9.50764e+01 3.18286e+01 3.37550e+01 198.233 -1.65217e+00 -5.44276e-01 0.00000e+00 0.00000e+00 1.33779e+01 198.233 2.03771e+01 18.233  0.6500 
1 1 1 16 10 13 o 16 9.69233e+01 3.46601e+01 5.61755e+01 314.563 2.38078e+00  -2.41736e+00 0.00000e+00 0.00000e+00 5.96036e+00 314.563 5.02151e+01 134.563 0.8353 
1 1 1 16 10 14 o 13 5.73737e+01 2.68601e+01 1.49384e+01 274.428 5.05832e-02  -6.53215e-01 0.00000e+00 0.00000e+00 1.14257e+00 94.428  1.60810e+01 94.428  0.3112 
1 1 1 16 10 15 o 18 1.36246e+02 2.58424e+01 4.94514e+01 134.799 -3.52251e+00 3.54732e+00  0.00000e+00 0.00000e+00 4.52931e+01 134.799 4.15833e+00 314.799 0.8934 
1 1 1 16 10 16 o 11 8.22686e+01 2.94755e+01 1.71746e+01 73.156  3.15110e-01  1.04081e+00  0.00000e+00 0.00000e+00 1.35804e+01 73.156  3.59413e+00 253.156 0.4765 
1 1 1 16 10 17 o 7  6.47379e+01 2.73310e+01 1.05407e+01 79.892  1.02796e-01  5.76656e-01  0.00000e+00 0.00000e+00 3.84930e+00 79.892  6.69141e+00 259.892 0.2810 
1 1 1 16 10 18 o 9  7.69513e+01 2.94482e+01 3.39989e+01 110.925 -8.61950e-01 2.25429e+00  0.00000e+00 0.00000e+00 1.23828e+01 110.925 2.16161e+01 290.925 0.7552 
1 1 1 16 10 19 o 18 9.30572e+01 3.24082e+01 9.60295e+00 348.340 8.26833e-01  -1.70624e-01 0.00000e+00 0.00000e+00 1.95199e+01 348.340 9.91692e+00 348.340 0.3885 
1 1 1 16 10 20 o 12 1.31561e+02 3.04112e+01 4.93452e+01 283.767 1.62940e+00  -6.65047e+00 0.00000e+00 0.00000e+00 4.95249e+01 283.767 1.79673e-01 283.767 0.9238 
1 1 1 16 10 21 o 2  4.79989e+01 2.28187e+01 3.02292e+01 185.862 -2.05683e+00 -2.11184e-01 0.00000e+00 0.00000e+00 2.27329e+00 5.862   3.25025e+01 5.862   0.7086 
1 1 1 16 10 22 o 9  7.72872e+01 2.99986e+01 4.87122e+01 116.178 -2.29935e+00 4.67738e+00  0.00000e+00 0.00000e+00 8.96270e+00 116.178 3.97495e+01 296.178 0.8981 
1 1 1 16 10 23 o 5  5.93245e+01 2.62930e+01 3.14279e+01 343.319 3.16805e+00  -9.49340e-01 0.00000e+00 0.00000e+00 9.97169e+00 343.319 2.14562e+01 163.319 0.8304 
1 1 1 16 11 0  o 17 4.52335e+01 3.02302e+01 1.35856e+01 180.000 -9.69611e-02 0.00000e+00  0.00000e+00 0.00000e+00 1.03339e+01 0.000   2.39195e+01 0.000   0.0967 
1 1 1 16 11 1  o 5  4.48099e+01 2.12975e+01 4.01217e+00 260.633 -9.23279e-03 -5.59698e-02 0.00000e+00 0.00000e+00 3.06706e+00 80.633  7.07922e+00 80.633  0.0284 
1 1 1 16 11 2  o 12 1.06947e+02 2.95662e+01 4.31010e+00 239.657 -6.99111e-02 -1.19433e-01 0.00000e+00 0.00000e+00 1.18612e+00 239.657 3.12398e+00 59.657  0.0690 
1 1 1 16 11 3  o 14 8.81228e+01 3.01946e+01 5.18871e+01 341.768 1.62054e+00  -5.33800e-01 0.00000e+00 0.00000e+00 9.64038e+00 161.768 6.15275e+01 161.768 0.6431 
1 1 1 16 11 4  o 15 1.59681e+02 2.65639e+01 6.35155e+01 48.655  2.56484e+00  2.91491e+00  0.00000e+00 0.00000e+00 3.88957e+01 48.655  2.46198e+01 228.655 0.8589 
1 1 1 16 11 5  o 1  3.24156e+02 2.01161e+01 9.56689e+01 154.172 -1.11160e+01 5.38044e+00  0.00000e+00 0.00000e+00 1.36904e+02 154.172 4.12348e+01 154.172 0.9586 
1 1 1 16 11 6  o 13 1.00966e+02 3.21466e+01 2.37137e+01 191.322 -9.30606e-01 -1.86320e-01 0.00000e+00 0.00000e+00 8.72306e+00 191.322 1.49906e+01 11.322  0.4281 
1 1 1 16 11 7  o 7  2.93860e+02 2.10911e+01 1.12524e+02 284.918 3.92369e+00  -1.47279e+01 0.00000e+00 0.00000e+00 1.01362e+02 284.918 1.11626e+01 104.918 0.9666 
1 1 1 16 11 8  o 7  8.02599e+01 2.94085e+01 1.69882e+01 209.763 -5.05031e-01 -2.88796e-01 0.00000e+00 0.00000e+00 4.87261e-02 29.763  1.70369e+01 29.763  0.2792 
1 1 1 16 11 9  o 9  1.18133e+02 2.87444e+01 6.05629e+01 63.651  1.46511e+00  2.95802e+00  0.00000e+00 0.00000e+00 1.38654e+01 63.651  4.66975e+01 243.651 0.8300 
1 1 1 16 11 10 o 8  1.97818e+02 2.16670e+01 6.05592e+01 339.410 6.31318e+00  -2.37168e+00 0.00000e+00 0.00000e+00 7.86384e+01 339.410 1.80792e+01 339.410 0.9226 
1 1 1 16 11 11 o 12 1.20503e+02 3.00543e+01 4.94347e+01 136.302 -2.39496e+00 2.28854e+00  0.00000e+00 0.00000e+00 2.73201e+01 136.302 2.21146e+01 316.302 0.8307 
1 1 1 16 11 12 o 10 2.44662e+02 2.07647e+01 9.22130e+01 179.618 -1.47877e+01 9.86803e-02  0.00000e+00 0.00000e+00 8.99852e+01 179.618 2.22786e+00 359.618 0.9656 
1 1 1 16 11 13 o 12 1.41396e+02 3.28381e+01 4.78157e+01 245.184 -1.96856e+00 -4.25721e+00 0.00000e+00 0.00000e+00 4.93778e+01 245.184 1.56208e+00 245.184 0.8857 
1 1 1 16 11 14 o 2  2.26084e+02 2.20123e+01 7.03349e+01 38.956  9.74007e+00  7.87485e+00  0.00000e+00 0.00000e+00 9.91261e+01 38.956  2.87913e+01 38.956  0.9592 
1 1 1 16 11 15 o 17 1.18856e+02 2.84775e+01 3.55023e+01 102.772 -7.34318e-01 3.23946e+00  0.00000e+00 0.00000e+00 4.22651e+01 102.772 6.76278e+00 102.772 0.8312 
1 1 1 16 11 16 o 1  1.74539e+02 2.17425e+01 4.98938e+01 238.920 -4.04613e+00 -6.71260e+00 0.00000e+00 0.00000e+00 7.94133e+01 238.920 2.95195e+01 238.920 0.9338 
1 1 1 16 11 17 o 10 1.07538e+02 2.93226e+01 4.41170e+01 345.893 4.27838e+00  -1.07524e+00 0.00000e+00 0.00000e+00 3.13859e+01 345.893 1.27311e+01 165.893 0.8777 
1 1 1 16 11 18 o 9  6.62467e+01 2.77337e+01 2.48024e+01 59.313  8.92097e-01  1.50321e+00  0.00000e+00 0.00000e+00 1.00427e+01 59.313  1.47597e+01 239.312 0.6517 
1 1 1 16 11 19 o 4  8.82807e+01 3.02138e+01 3.72775e+01 179.882 -3.50734e+00 7.21660e-03  0.00000e+00 0.00000e+00 2.32385e+01 179.882 1.40390e+01 359.882 0.8415 
1 1 1 16 11 20 o 4  7.66944e+01 3.09525e+01 4.76090e+00 40.210  3.17946e-01  2.68783e-01  0.00000e+00 0.00000e+00 8.09673e+00 40.210  3.33582e+00 40.210  0.2038 
1 1 1 16 11 21 o 5  6.33482e+01 2.75873e+01 1.06238e+01 24.049  8.94402e-01  3.99128e-01  0.00000e+00 0.00000e+00 1.24950e+01 24.049  1.87120e+00 24.049  0.4390 
1 1 1 16 11 22 o 10 5.05162e+01 2.38439e+01 1.50165e+01 201.559 -1.26435e+00 -4.99537e-01 0.00000e+00 0.00000e+00 8.72987e+00 201.559 6.28663e+00 21.559  0.5594 
1 1 1 16 11 23 o 6  1.16499e+02 2.91506e+01 3.21930e+01 302.085 3.14921e+00  -5.02308e+00 0.00000e+00 0.00000e+00 5.80285e+01 302.085 2.58355e+01 302.085 0.9112 
1 1 1 16 12 0  o 8  6.65261e+01 3.81926e+01 3.75378e+01 0.000   4.76038e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.53452e+01 180.000 5.28830e+01 180.000 0.4431 
1 1 1 16 12 1  o 18 2.26712e+02 2.03170e+01 7.09913e+01 99.323  -1.14891e+00 6.99857e+00  0.00000e+00 0.00000e+00 8.72056e+01 99.323  1.62143e+01 99.323  0.9265 
1 1 1 16 12 2  o 18 1.56533e+02 2.53857e+01 7.87531e+01 125.956 -3.06708e+00 4.22827e+00  0.00000e+00 0.00000e+00 2.72262e+01 125.956 5.15269e+01 305.956 0.8983 
1 1 1 16 12 4  o 18 7.99089e+01 3.07363e+01 4.62401e+01 0.918   1.48546e+00  2.37980e-02  0.00000e+00 0.00000e+00 1.04443e+01 180.918 5.66844e+01 180.918 0.5926 
1 1 1 16 12 5  o 9  3.48739e+02 2.03995e+01 1.07851e+02 10.888  1.71711e+01  3.30298e+00  0.00000e+00 0.00000e+00 1.48711e+02 10.888  4.08597e+01 10.888  0.9710 
1 1 1 16 12 6  o 17 1.71626e+02 2.59670e+01 5.16389e+01 202.195 -3.63050e+00 -1.48120e+00 0.00000e+00 0.00000e+00 6.05582e+01 202.195 8.91935e+00 202.195 0.8604 
1 1 1 16 12 7  o 15 2.56466e+02 2.17828e+01 9.76780e+01 187.297 -1.23040e+01 -1.57558e+00 0.00000e+00 0.00000e+00 8.97667e+01 187.297 7.91125e+00 7.297   0.9588 
1 1 1 16 12 8  o 10 1.05077e+02 2.91786e+01 2.13611e+01 317.138 8.62660e-01  -8.00562e-01 0.00000e+00 0.00000e+00 1.92873e+01 317.138 2.07384e+00 137.138 0.5056 
1 1 1 16 12 9  o 19 1.79502e+02 2.26546e+01 3.58125e+01 321.488 3.08143e+00  -2.45217e+00 0.00000e+00 0.00000e+00 8.29665e+01 321.488 4.71540e+01 321.488 0.8611 
1 1 1 16 12 10 f 0  1.46416e+02 2.60038e+01 4.99151e+01 88.446  1.23649e-01  4.55862e+00  0.00000e+00 0.00000e+00 4.98076e+01 88.446  1.07460e-01 268.446 0.8821 
1 1 1 16 12 11 o 10 8.42452e+01 3.06238e+01 4.37057e+01 71.462  7.82044e-01  2.33214e+00  0.00000e+00 0.00000e+00 6.03028e+00 71.462  3.76754e+01 251.462 0.7605 
1 1 1 16 12 12 o 1  8.32905e+01 3.17889e+01 2.32134e+01 23.166  1.25851e+00  5.38524e-01  0.00000e+00 0.00000e+00 1.33340e+01 23.166  9.87939e+00 203.166 0.5620 
1 1 1 16 12 13 o 17 7.17065e+01 3.09712e+01 8.91038e+00 302.867 2.38994e-01  -3.69895e-01 0.00000e+00 0.00000e+00 3.20390e+00 302.867 5.70648e+00 122.867 0.2150 
1 1 1 16 12 14 o 6  6.10854e+01 2.77326e+01 3.19694e+01 117.799 -7.29095e-01 1.38289e+00  0.00000e+00 0.00000e+00 2.42505e+00 297.799 3.43945e+01 297.799 0.6114 
1 1 1 16 12 15 o 8  1.42730e+02 2.48133e+01 4.15107e+01 183.306 -5.08925e+00 -2.93937e-01 0.00000e+00 0.00000e+00 6.03527e+01 183.306 1.88420e+01 183.306 0.8956 
1 1 1 16 12 16 o 1  6.05907e+01 2.63626e+01 2.06514e+01 304.195 6.99793e-01  -1.02993e+00 0.00000e+00 0.00000e+00 4.97160e+00 304.195 1.56798e+01 124.195 0.5266 
1 1 1 16 12 17 o 19 6.89609e+01 2.82957e+01 2.84880e+01 357.597 2.12739e+00  -8.92679e-02 0.00000e+00 0.00000e+00 1.16046e+01 357.597 1.68834e+01 177.597 0.7179 
1 1 1 16 12 18 o 19 5.15381e+01 2.39591e+01 1.98754e+01 243.369 -5.25004e-01 -1.04701e+00 0.00000e+00 0.00000e+00 1.33794e+00 243.369 1.85375e+01 63.369  0.5038 
1 1 1 16 12 19 o 13 5.55676e+01 2.51233e+01 3.11705e+01 297.158 1.09701e+00  -2.13846e+00 0.00000e+00 0.00000e+00 3.38489e+00 297.158 2.77856e+01 117.158 0.7541 
1 1 1 16 12 20 f 0  5.04716e+01 2.40359e+01 2.64122e+01 116.159 -9.78068e-01 1.99133e+00  0.00000e+00 0.00000e+00 4.29756e+00 116.159 2.21146e+01 296.159 0.7306 
1 1 1 16 12 21 o 13 1.07371e+02 3.30755e+01 3.90153e+01 125.290 -3.00361e+00 4.24367e+00  0.00000e+00 0.00000e+00 4.21017e+01 125.290 3.08646e+00 125.290 0.8978 
1 1 1 16 12 22 o 7  6.19513e+01 2.72170e+01 2.39179e+01 252.976 -7.40572e-01 -2.41862e+00 0.00000e+00 0.00000e+00 1.65638e+01 252.976 7.35406e+00 72.976  0.7682 
1 1 1 16 13 0  o 4  8.75470e+01 4.24853e+01 3.50832e+01 180.000 -6.59302e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.52042e+00 180.000 3.15628e+01 0.000   0.5779 
1 1 1 16 13 1  o 12 4.77736e+01 2.23145e+01 2.91882e+01 207.142 -5.70257e-01 -2.92344e-01 0.00000e+00 0.00000e+00 1.80669e+01 27.142  4.72551e+01 27.142  0.3050 
1 1 1 16 13 2  o 2  2.64844e+02 2.00993e+01 1.04682e+02 32.639  1.08933e+01  6.97706e+00  0.00000e+00 0.00000e+00 8.96204e+01 32.639  1.50613e+01 212.639 0.9605 
1 1 1 16 13 3  o 18 1.01283e+02 3.10078e+01 1.72770e+01 63.897  3.26050e-01  6.65453e-01  0.00000e+00 0.00000e+00 9.61691e+00 63.897  7.66010e+00 243.897 0.3472 
1 1 1 16 13 4  o 10 1.66857e+02 2.68948e+01 5.90970e+01 201.054 -4.38013e+00 -1.68615e+00 0.00000e+00 0.00000e+00 5.41289e+01 201.054 4.96813e+00 21.054  0.8858 
1 1 1 16 13 5  o 14 6.55755e+01 2.69135e+01 6.74005e+00 213.966 -1.73744e-01 -1.17042e-01 0.00000e+00 0.00000e+00 1.49470e+00 33.966  8.23475e+00 33.966  0.1042 
1 1 1 16 13 6  o 3  2.61220e+02 2.17876e+01 4.89122e+01 339.927 6.83704e+00  -2.49840e+00 0.00000e+00 0.00000e+00 1.37845e+02 339.927 8.89327e+01 339.927 0.9285 
1 1 1 16 13 7  o 4  1.18801e+02 3.10975e+01 2.83100e+01 149.722 -1.48531e+00 8.67187e-01  0.00000e+00 0.00000e+00 3.09754e+01 149.722 2.66546e+00 149.722 0.6460 
1 1 1 16 13 8  o 8  1.35666e+02 2.77485e+01 2.21065e+01 127.755 -1.05984e+00 1.36855e+00  0.00000e+00 0.00000e+00 4.60909e+01 127.755 2.39844e+01 127.755 0.6483 
1 1 1 16 13 9  f 0  1.71252e+02 2.38137e+01 3.39380e+01 333.082 3.32201e+00  -1.68664e+00 0.00000e+00 0.00000e+00 7.96992e+01 333.082 4.57612e+01 333.082 0.8521 
1 1 1 16 13 10 o 16 7.75932e+01 2.96678e+01 1.52005e+01 179.245 -8.00022e-01 1.05412e-02  0.00000e+00 0.00000e+00 7.33233e+00 179.245 7.86814e+00 359.245 0.3711 
1 1 1 16 13 11 o 12 6.64551e+01 2.78216e+01 2.26190e+01 89.232  1.52824e-02  1.13982e+00  0.00000e+00 0.00000e+00 3.19435e+00 89.232  1.94246e+01 269.232 0.4938 
1 1 1 16 13 12 o 17 7.89677e+01 3.11507e+01 1.24931e+01 26.634  6.06918e-01  3.04378e-01  0.00000e+00 0.00000e+00 7.58321e+00 26.634  4.90989e+00 206.634 0.3213 
1 1 1 16 13 13 o 2  1.20001e+02 3.50651e+01 2.38181e+01 10.878  1.96363e+00  3.77364e-01  0.00000e+00 0.00000e+00 4.28472e+01 10.878  1.90291e+01 10.878  0.6977 
1 1 1 16 13 14 o 1  7.64535e+01 3.10228e+01 1.59641e+01 68.210  3.49285e-01  8.73730e-01  0.00000e+00 0.00000e+00 1.00895e+01 68.210  5.87455e+00 248.210 0.4251 
1 1 1 16 13 15 o 4  1.25995e+02 3.15791e+01 3.73053e+01 247.700 -1.41278e+00 -3.44469e+00 0.00000e+00 0.00000e+00 4.93812e+01 247.700 1.20759e+01 247.700 0.8520 
1 1 1 16 13 16 o 11 5.83741e+01 2.59177e+01 1.50912e+01 245.066 -4.28174e-01 -9.20979e-01 0.00000e+00 0.00000e+00 6.37926e+00 245.066 8.71191e+00 65.066  0.4519 
1 1 1 16 13 17 o 12 5.36156e+01 2.46390e+01 1.68119e+01 117.173 -4.65630e-01 9.07056e-01  0.00000e+00 0.00000e+00 3.13389e+00 117.173 1.36780e+01 297.173 0.4533 
1 1 1 16 13 18 o 16 1.38012e+02 2.62421e+01 4.12881e+01 166.691 -7.47741e+00 1.76876e+00  0.00000e+00 0.00000e+00 6.52645e+01 166.691 2.39763e+01 166.691 0.9325 
1 1 1 16 13 19 o 1  8.42267e+01 3.01915e+01 1.17146e+01 277.697 1.53575e-01  -1.13633e+00 0.00000e+00 0.00000e+00 2.31960e+01 277.697 1.14813e+01 277.697 0.4959 
1 1 1 16 13 20 o 16 8.37097e+01 3.22123e+01 2.65395e+01 323.506 2.21632e+00  -1.63961e+00 0.00000e+00 0.00000e+00 2.92941e+01 323.506 2.75462e+00 323.506 0.7903 
1 1 1 16 13 21 o 16 6.44489e+01 2.86423e+01 2.12626e+01 147.414 -1.86850e+00 1.19433e+00  0.00000e+00 0.00000e+00 1.88836e+01 147.414 2.37896e+00 327.414 0.7305 
1 1 1 16 14 0  o 18 1.56705e+02 4.18229e+01 8.35315e+01 180.000 -3.44985e+00 0.00000e+00  0.00000e+00 0.00000e+00 3.75268e+01 180.000 4.60047e+01 0.000   0.9980 
1 1 1 16 14 1  o 5  8.22563e+01 2.93091e+01 3.66470e+01 67.690  6.04842e-01  1.47404e+00  0.00000e+00 0.00000e+00 2.73618e+00 67.690  3.39109e+01 247.690 0.6184 
1 1 1 16 14 2  o 13 8.02690e+01 2.95355e+01 2.17904e+01 309.747 5.88755e-01  -7.07977e-01 0.00000e+00 0.00000e+00 4.18466e+00 309.747 1.76057e+01 129.747 0.4176 
1 1 1 16 14 3  o 19 1.54599e+02 2.68619e+01 4.77411e+01 14.509  3.87257e+00  1.00220e+00  0.00000e+00 0.00000e+00 5.58339e+01 14.509  8.09284e+00 14.509  0.8635 
1 1 1 16 14 4  o 7  1.94460e+02 2.56049e+01 6.11734e+01 23.130  5.99425e+00  2.56041e+00  0.00000e+00 0.00000e+00 7.78309e+01 23.130  1.66575e+01 23.130  0.9197 
1 1 1 16 14 6  o 4  2.88561e+02 2.21445e+01 8.07019e+01 138.783 -1.08249e+01 9.48230e+00  0.00000e+00 0.00000e+00 1.36727e+02 138.783 5.60247e+01 138.783 0.9646 
1 1 1 16 14 7  o 5  2.26568e+02 2.04410e+01 8.55469e+01 15.949  1.24771e+01  3.56572e+00  0.00000e+00 0.00000e+00 8.50308e+01 15.949  5.16073e-01 195.949 0.9607 
1 1 1 16 14 8  o 15 6.73416e+01 2.79784e+01 3.28709e+01 3.329   1.54753e+00  9.00092e-02  0.00000e+00 0.00000e+00 6.46199e-01 183.329 3.35171e+01 183.329 0.6083 
1 1 1 16 14 9  o 6  2.55965e+02 1.88042e+01 5.73571e+01 117.955 -6.01823e+00 1.13402e+01  0.00000e+00 0.00000e+00 1.36827e+02 117.955 7.94698e+01 117.955 0.9602 
1 1 1 16 14 10 o 13 6.59680e+01 2.80266e+01 4.13845e+01 299.808 9.91668e-01  -1.73102e+00 0.00000e+00 0.00000e+00 4.88646e+00 119.808 4.62710e+01 119.808 0.6969 
1 1 1 16 14 11 o 2  2.45403e+02 2.28268e+01 4.99980e+01 300.071 5.13291e+00  -8.86489e+00 0.00000e+00 0.00000e+00 1.36030e+02 300.071 8.60317e+01 300.071 0.9499 
1 1 1 16 14 12 o 6  9.39993e+01 3.27073e+01 2.26560e+01 43.051  1.13986e+00  1.06485e+00  0.00000e+00 0.00000e+00 2.34152e+01 43.051  7.59145e-01 43.051  0.6106 
1 1 1 16 14 13 o 1  7.04590e+01 2.94533e+01 2.10500e+01 115.748 -5.12531e-01 1.06270e+00  0.00000e+00 0.00000e+00 7.77735e+00 115.748 1.32726e+01 295.748 0.5065 
1 1 1 16 14 14 o 1  1.53854e+02 2.79124e+01 5.21358e+01 173.832 -7.71617e+00 8.33884e-01  0.00000e+00 0.00000e+00 6.46298e+01 173.832 1.24940e+01 173.832 0.9332 
1 1 1 16 14 15 o 8  5.57311e+01 2.56398e+01 2.14748e+01 332.272 1.23264e+00  -6.47928e-01 0.00000e+00 0.00000e+00 4.47901e+00 332.272 1.69958e+01 152.272 0.5684 
1 1 1 16 14 16 o 7  7.87831e+01 3.10190e+01 1.22811e+01 289.880 3.20167e-01  -8.85391e-01 0.00000e+00 0.00000e+00 1.53838e+01 289.880 3.10273e+00 289.880 0.4253 
1 1 1 16 14 17 o 5  5.76704e+01 2.56548e+01 2.62145e+01 132.488 -1.22630e+00 1.33882e+00  0.00000e+00 0.00000e+00 5.71830e+00 132.488 2.04962e+01 312.488 0.6650 
1 1 1 16 14 18 o 15 6.64968e+01 2.89150e+01 1.54485e+01 359.833 1.24247e+00  -3.61890e-03 0.00000e+00 0.00000e+00 1.39174e+01 359.833 1.53112e+00 179.833 0.5257 
1 1 1 16 14 19 o 9  6.92486e+01 2.83911e+01 1.07466e+01 112.488 -4.02889e-01 9.73257e-01  0.00000e+00 0.00000e+00 1.65535e+01 112.488 5.80695e+00 112.488 0.4650 
1 1 1 16 14 20 o 9  1.01966e+02 3.31483e+01 3.57995e+01 132.169 -3.12569e+00 3.45096e+00  0.00000e+00 0.00000e+00 4.14448e+01 132.169 5.64528e+00 132.169 0.8847 
1 1 1 16 14 21 o 19 6.84680e+01 2.92821e+01 2.47115e+01 280.979 5.05547e-01  -2.60584e+00 0.00000e+00 0.00000e+00 2.15385e+01 280.979 3.17303e+00 100.979 0.7808 
1 1 1 16 15 0  o 2  2.15801e+02 3.25545e+01 6.49216e+01 0.000   4.31519e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.04668e+02 0.000   3.97465e+01 0.000   0.9996 
1 1 1 16 15 1  o 7  1.78935e+02 2.35165e+01 8.06232e+01 343.426 8.46656e+00  -2.51978e+00 0.00000e+00 0.00000e+00 5.18597e+01 343.426 2.87635e+01 163.426 0.9416 
1 1 1 16 15 2  o 13 6.41719e+01 2.70026e+01 2.27312e+01 356.651 8.54349e-01  -4.99963e-02 0.00000e+00 0.00000e+00 2.88608e+00 176.651 2.56172e+01 176.651 0.3930 
1 1 1 16 15 3  o 11 7.43671e+01 2.95010e+01 4.27690e+01 135.549 -1.36803e+00 1.34209e+00  0.00000e+00 0.00000e+00 2.71496e+00 315.548 4.54840e+01 315.548 0.6836 
1 1 1 16 15 4  o 6  1.77939e+02 2.63735e+01 4.62663e+01 85.882  3.70608e-01  5.14713e+00  0.00000e+00 0.00000e+00 7.97151e+01 85.882  3.34488e+01 85.882  0.8970 
1 1 1 16 15 5  o 15 8.41212e+01 3.23789e+01 2.44702e+01 80.173  2.30491e-01  1.33064e+00  0.00000e+00 0.00000e+00 1.25935e+01 80.173  1.18767e+01 260.173 0.5569 
1 1 1 16 15 6  o 11 2.10038e+02 1.99331e+01 6.58790e+01 194.831 -1.05128e+01 -2.78359e+00 0.00000e+00 0.00000e+00 9.28907e+01 194.831 2.70117e+01 194.831 0.9529 
1 1 1 16 15 7  o 18 8.97083e+01 3.01085e+01 1.45384e+01 320.481 7.40755e-01  -6.11044e-01 0.00000e+00 0.00000e+00 1.63159e+01 320.481 1.77753e+00 320.481 0.4321 
1 1 1 16 15 8  o 18 3.32677e+02 2.41144e+01 8.65089e+01 359.911 2.24753e+01  -3.49299e-02 0.00000e+00 0.00000e+00 1.73296e+02 359.911 8.67871e+01 359.911 0.9775 
1 1 1 16 15 9  o 18 8.92999e+01 3.00768e+01 1.21791e+01 34.874  6.29138e-01  4.38475e-01  0.00000e+00 0.00000e+00 1.34543e+01 34.874  1.27520e+00 34.874  0.3578 
1 1 1 16 15 10 o 18 1.93982e+02 2.18364e+01 2.88420e+01 155.042 -4.29916e+00 2.00091e+00  0.00000e+00 0.00000e+00 1.09883e+02 155.042 8.10413e+01 155.042 0.8870 
1 1 1 16 15 11 o 17 5.50146e+01 2.53217e+01 2.28009e+01 235.421 -5.96837e-01 -8.65834e-01 0.00000e+00 0.00000e+00 2.09459e+00 55.421  2.48955e+01 55.421  0.4644 
1 1 1 16 15 12 o 8  8.07972e+01 3.14140e+01 2.47735e+01 232.654 -9.74898e-01 -1.27763e+00 0.00000e+00 0.00000e+00 1.61638e+01 232.654 8.60965e+00 52.654  0.6215 
1 1 1 16 15 13 o 4  8.40297e+01 3.06704e+01 1.59651e+01 133.032 -8.32928e-01 8.92210e-01  0.00000e+00 0.00000e+00 1.98199e+01 133.032 3.85480e+00 133.032 0.5191 
1 1 1 16 15 14 o 8  6.51578e+01 2.83179e+01 7.26836e-01 205.764 -4.64588e-02 -2.24234e-02 0.00000e+00 0.00000e+00 6.60880e-01 205.764 6.59568e-02 25.764  0.0258 
1 1 1 16 15 15 o 19 5.34378e+01 2.50564e+01 6.28350e+00 107.027 -1.10768e-01 3.61687e-01  0.00000e+00 0.00000e+00 1.97895e+00 107.027 4.30455e+00 287.027 0.1858 
1 1 1 16 15 16 o 16 9.50130e+01 3.28490e+01 2.03656e+01 55.752  1.08111e+00  1.58792e+00  0.00000e+00 0.00000e+00 3.41613e+01 55.752  1.37957e+01 55.752  0.6844 
1 1 1 16 15 17 o 6  6.35107e+01 2.73313e+01 4.74608e+00 56.538  2.10933e-01  3.19151e-01  0.00000e+00 0.00000e+00 5.34275e+00 56.538  5.96672e-01 56.538  0.1879 
1 1 1 16 15 18 o 14 5.24939e+01 2.42664e+01 9.07273e+00 303.747 4.31585e-01  -6.45976e-01 0.00000e+00 0.00000e+00 7.12941e+00 303.747 1.94332e+00 123.747 0.3618 
1 1 1 16 15 19 o 11 7.40744e+01 2.92676e+01 1.08488e+01 311.794 7.87928e-01  -8.81448e-01 0.00000e+00 0.00000e+00 2.15057e+01 311.794 1.06569e+01 311.794 0.5073 
1 1 1 16 15 20 o 14 6.79622e+01 2.82328e+01 2.05770e+01 161.895 -2.17648e+00 7.11577e-01  0.00000e+00 0.00000e+00 2.31600e+01 161.895 2.58295e+00 161.895 0.7401 
1 1 1 16 16 0  o 18 9.19935e+01 4.47619e+01 1.79029e+01 0.000   5.46570e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.87086e+01 0.000   8.05680e-01 0.000   0.4979 
1 1 1 16 16 1  o 13 1.30082e+02 2.81992e+01 6.23923e+01 330.591 4.96294e+00  -2.79755e+00 0.00000e+00 0.00000e+00 3.19695e+01 330.591 3.04228e+01 150.591 0.9074 
1 1 1 16 16 2  o 19 1.35640e+02 2.79701e+01 2.68770e+01 112.291 -9.73057e-01 2.37363e+00  0.00000e+00 0.00000e+00 5.68907e+01 112.291 3.00137e+01 112.291 0.7719 
1 1 1 16 16 3  o 7  8.14523e+01 3.07522e+01 2.08763e+01 91.496  -3.24840e-02 1.24350e+00  0.00000e+00 0.00000e+00 1.34558e+01 91.496  7.42051e+00 271.496 0.5262 
1 1 1 16 16 4  o 17 7.08786e+01 2.94750e+01 3.69200e+01 176.615 -1.94997e+00 1.15334e-01  0.00000e+00 0.00000e+00 2.32422e+00 176.615 3.45958e+01 356.615 0.6900 
1 1 1 16 16 5  o 18 7.03186e+01 2.97991e+01 5.79975e+00 70.642  1.00002e-01  2.84634e-01  0.00000e+00 0.00000e+00 2.63601e+00 70.642  3.16374e+00 250.642 0.1492 
1 1 1 16 16 6  o 3  1.80018e+02 2.15252e+01 6.28471e+01 355.166 9.16221e+00  -7.74884e-01 0.00000e+00 0.00000e+00 7.42048e+01 355.166 1.13576e+01 355.166 0.9439 
1 1 1 16 16 7  o 19 4.81236e+01 2.21403e+01 1.24028e+01 253.270 -1.46503e-01 -4.87390e-01 0.00000e+00 0.00000e+00 2.80123e+00 73.270  1.52040e+01 73.270  0.2466 
1 1 1 16 16 8  o 1  5.90741e+01 2.57005e+01 1.63686e+01 314.694 5.44775e-01  -5.50623e-01 0.00000e+00 0.00000e+00 9.47222e-01 314.694 1.54214e+01 134.694 0.3609 
1 1 1 16 16 9  o 10 1.17545e+02 2.86879e+01 3.29792e+01 288.639 9.83167e-01  -2.91481e+00 0.00000e+00 0.00000e+00 4.52121e+01 288.639 1.22330e+01 288.639 0.8155 
1 1 1 16 16 10 o 11 6.08216e+01 2.65235e+01 2.42449e+01 118.882 -6.02599e-01 1.09241e+00  0.00000e+00 0.00000e+00 2.04133e+00 118.882 2.22036e+01 298.882 0.5273 
1 1 1 16 16 11 o 1  1.05147e+02 3.27324e+01 2.95096e+01 93.323  -1.40293e-01 2.41599e+00  0.00000e+00 0.00000e+00 3.59930e+01 93.323  6.48341e+00 93.323  0.7560 
1 1 1 16 16 12 o 1  7.59730e+01 3.09945e+01 7.08099e+00 144.227 -3.93714e-01 2.83671e-01  0.00000e+00 0.00000e+00 7.76392e+00 144.227 6.82932e-01 144.227 0.2358 
1 1 1 16 16 13 o 11 6.40771e+01 2.78409e+01 2.65154e+01 98.862  -2.80644e-01 1.79997e+00  0.00000e+00 0.00000e+00 9.08904e+00 98.862  1.74264e+01 278.862 0.6662 
1 1 1 16 16 14 o 7  4.81132e+01 2.29909e+01 1.16640e+01 11.151  6.51568e-01  1.28434e-01  0.00000e+00 0.00000e+00 1.06274e+00 11.151  1.06013e+01 191.151 0.3150 
1 1 1 16 16 15 o 16 7.37386e+01 2.97921e+01 2.60085e+01 269.141 -3.49619e-02 -2.33135e+00 0.00000e+00 0.00000e+00 2.04846e+01 269.141 5.52394e+00 89.141  0.7454 
1 1 1 16 16 16 o 11 6.12024e+01 2.75815e+01 2.84643e+01 99.512  -3.62957e-01 2.16604e+00  0.00000e+00 0.00000e+00 9.49528e+00 99.512  1.89690e+01 279.512 0.7275 
1 1 1 16 16 17 f 0  6.49199e+01 2.83924e+01 2.70756e+01 331.594 2.19080e+00  -1.18484e+00 0.00000e+00 0.00000e+00 1.55617e+01 331.594 1.15139e+01 151.594 0.7640 
1 1 1 16 16 18 o 12 6.67820e+01 2.93614e+01 2.32066e+01 263.342 -2.63340e-01 -2.25597e+00 0.00000e+00 0.00000e+00 1.95179e+01 263.342 3.68876e+00 83.342  0.7377 
1 1 1 16 16 19 f 0  6.30478e+01 2.72994e+01 1.82925e+01 151.463 -1.72260e+00 9.36749e-01  0.00000e+00 0.00000e+00 1.98589e+01 151.463 1.56641e+00 151.463 0.6912 
1 1 1 16 17 0  o 18 2.67411e+02 3.09243e+01 8.59409e+01 0.000   9.33788e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.31579e+02 0.000   4.56386e+01 0.000   1.0000 
1 1 1 16 17 1  o 19 1.01037e+02 3.07099e+01 2.27075e+01 200.762 -1.51061e+00 -5.72682e-01 0.00000e+00 0.00000e+00 2.85422e+01 200.762 5.83479e+00 200.762 0.6234 
1 1 1 16 17 2  o 17 1.00425e+02 3.16547e+01 2.82185e+01 182.832 -1.95783e+00 -9.68502e-02 0.00000e+00 0.00000e+00 2.82961e+01 182.832 7.75210e-02 182.832 0.6911 
1 1 1 16 17 3  o 7  2.08357e+02 2.30253e+01 5.05696e+01 72.554  2.51530e+00  8.00377e+00  0.00000e+00 0.00000e+00 1.08829e+02 72.554  5.82591e+01 72.554  0.9384 
1 1 1 16 17 4  o 3  7.55278e+01 3.02330e+01 2.73024e+01 153.213 -1.37186e+00 6.92586e-01  0.00000e+00 0.00000e+00 1.00228e+01 153.213 1.72797e+01 333.213 0.6051 
1 1 1 16 17 5  o 4  1.31406e+02 3.17216e+01 3.70939e+01 252.088 -1.08337e+00 -3.35174e+00 0.00000e+00 0.00000e+00 5.35055e+01 252.088 1.64116e+01 252.088 0.8423 
1 1 1 16 17 6  o 2  1.62835e+02 2.37650e+01 8.72348e+01 343.124 1.18558e+01  -3.59659e+00 0.00000e+00 0.00000e+00 4.09149e+01 343.124 4.63199e+01 163.124 0.9588 
1 1 1 16 17 7  o 6  1.64551e+02 1.98931e+01 2.76231e+01 2.277   4.34509e+00  1.72740e-01  0.00000e+00 0.00000e+00 9.10481e+01 2.277   6.34250e+01 2.277   0.8757 
1 1 1 16 17 8  o 15 1.06216e+02 2.96945e+01 6.67024e+01 161.064 -5.35416e+00 1.83689e+00  0.00000e+00 0.00000e+00 1.29139e+01 161.064 5.37885e+01 341.064 0.9067 
1 1 1 16 17 9  o 16 5.73908e+01 2.51698e+01 1.89509e+01 189.880 -9.77267e-01 -1.70213e-01 0.00000e+00 0.00000e+00 2.18238e+00 189.880 1.67685e+01 9.880   0.4435 
1 1 1 16 17 10 o 7  9.42771e+01 3.33336e+01 2.41509e+01 330.141 1.69226e+00  -9.71466e-01 0.00000e+00 0.00000e+00 3.00844e+01 330.141 5.93349e+00 330.141 0.6896 
1 1 1 16 17 11 o 10 5.79497e+01 2.65134e+01 1.82655e+01 175.401 -1.20947e+00 9.72991e-02  0.00000e+00 0.00000e+00 6.85538e+00 175.401 1.14101e+01 355.401 0.5169 
1 1 1 16 17 12 o 19 6.11074e+01 2.66720e+01 9.54531e+00 55.642  3.62883e-01  5.30815e-01  0.00000e+00 0.00000e+00 6.22500e+00 55.642  3.32031e+00 235.642 0.3060 
1 1 1 16 17 13 o 12 7.30803e+01 2.95392e+01 4.09527e+01 356.943 3.26826e+00  -1.74517e-01 0.00000e+00 0.00000e+00 1.04301e+01 356.943 3.05226e+01 176.943 0.8283 
1 1 1 16 17 14 o 5  6.64024e+01 2.84308e+01 4.80018e+00 84.909  3.57932e-02  4.01795e-01  0.00000e+00 0.00000e+00 6.41935e+00 84.909  1.61917e+00 84.909  0.1977 
1 1 1 16 17 15 o 6  6.74583e+01 2.85836e+01 9.40692e+00 109.132 -2.97638e-01 8.57986e-01  0.00000e+00 0.00000e+00 1.45726e+01 109.132 5.16569e+00 109.132 0.4129 
1 1 1 16 17 16 f 0  9.08822e+01 3.19851e+01 9.04260e+00 222.013 -7.62598e-01 -6.86958e-01 0.00000e+00 0.00000e+00 2.68891e+01 222.013 1.78465e+01 222.013 0.4557 
1 1 1 16 17 17 o 18 4.50268e+01 2.20977e+01 1.37083e+01 212.838 -9.97540e-01 -6.43809e-01 0.00000e+00 0.00000e+00 6.33657e+00 212.838 7.37177e+00 32.838  0.5088 
1 1 1 16 17 18 o 9  7.14221e+01 2.88689e+01 3.01602e+01 221.741 -2.56039e+00 -2.28450e+00 0.00000e+00 0.00000e+00 2.26346e+01 221.741 7.52561e+00 41.741  0.8374 
1 1 1 16 18 0  o 14 7.51509e+01 4.21180e+01 2.87158e+01 0.000   8.45605e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.41816e+01 0.000   1.45342e+01 180.000 0.6888 
1 1 1 16 18 1  o 13 1.15087e+02 3.14808e+01 5.68278e+01 156.351 -4.53998e+00 1.98810e+00  0.00000e+00 0.00000e+00 2.83056e+01 156.351 2.85222e+01 336.351 0.8924 
1 1 1 16 18 2  o 10 6.03195e+01 2.65434e+01 3.41097e+01 123.410 -9.42450e-01 1.42876e+00  0.00000e+00 0.00000e+00 1.87072e+00 303.410 3.59804e+01 303.410 0.6443 
1 1 1 16 18 3  o 18 1.57243e+02 2.66878e+01 6.21489e+01 284.839 2.13773e+00  -8.06865e+00 0.00000e+00 0.00000e+00 6.03691e+01 284.839 1.77981e+00 104.839 0.9380 
1 1 1 16 18 4  o 16 6.05405e+01 2.68303e+01 2.54068e+01 334.727 1.18203e+00  -5.58053e-01 0.00000e+00 0.00000e+00 2.03399e+00 334.727 2.33728e+01 154.727 0.5447 
1 1 1 16 18 5  o 17 9.24426e+01 3.23376e+01 2.01084e+01 19.152  1.33418e+00  4.63360e-01  0.00000e+00 0.00000e+00 2.41226e+01 19.152  4.01414e+00 19.152  0.5737 
1 1 1 16 18 6  o 14 4.87006e+01 2.24084e+01 2.23401e+01 73.962  2.90423e-01  1.01029e+00  0.00000e+00 0.00000e+00 3.43216e+00 253.962 2.57723e+01 253.962 0.4642 
1 1 1 16 18 7  o 19 1.16336e+02 2.60441e+01 3.98229e+01 254.954 -1.22788e+00 -4.56786e+00 0.00000e+00 0.00000e+00 4.67325e+01 254.954 6.90952e+00 254.954 0.8867 
1 1 1 16 18 8  o 14 5.70374e+01 2.53115e+01 5.43633e+00 144.579 -2.60960e-01 1.85601e-01  0.00000e+00 0.00000e+00 2.15851e+00 144.579 3.27782e+00 324.579 0.1581 
1 1 1 16 18 9  o 19 7.96834e+01 2.91786e+01 3.84126e+01 71.061  1.06496e+00  3.10362e+00  0.00000e+00 0.00000e+00 1.74494e+01 71.061  2.09632e+01 251.061 0.8288 
1 1 1 16 18 10 o 9  1.43123e+02 3.05653e+01 1.76483e+01 176.871 -2.52648e+00 1.38112e-01  0.00000e+00 0.00000e+00 7.58033e+01 176.871 5.81550e+01 176.871 0.7682 
1 1 1 16 18 11 o 9  5.44005e+01 2.54459e+01 1.10636e+01 311.170 4.45089e-01  -5.08962e-01 0.00000e+00 0.00000e+00 3.81559e+00 311.170 7.24797e+00 131.170 0.3201 
1 1 1 16 18 12 o 19 1.46848e+02 2.67788e+01 4.04418e+01 25.530  6.30350e+00  3.01066e+00  0.00000e+00 0.00000e+00 7.63408e+01 25.530  3.58990e+01 25.530  0.9254 
1 1 1 16 18 13 o 16 4.94003e+01 2.33980e+01 1.57692e+01 146.738 -9.34760e-01 6.13139e-01  0.00000e+00 0.00000e+00 5.02030e+00 146.738 1.07489e+01 326.738 0.4866 
1 1 1 16 18 14 o 15 9.22341e+01 3.14334e+01 2.93140e+01 205.204 -3.15498e+00 -1.48488e+00 0.00000e+00 0.00000e+00 3.81819e+01 205.204 8.86787e+00 205.204 0.8404 
1 1 1 16 18 15 o 14 7.16447e+01 2.98317e+01 9.77263e+00 254.743 -2.55812e-01 -9.37864e-01 0.00000e+00 0.00000e+00 1.76533e+01 254.743 7.88062e+00 254.743 0.4364 
1 1 1 16 18 16 o 12 4.48127e+01 2.19444e+01 2.56455e+01 300.432 1.12571e+00  -1.91629e+00 0.00000e+00 0.00000e+00 3.31827e+00 300.432 2.23272e+01 120.432 0.7311 
1 1 1 16 18 17 o 9  7.67722e+01 3.07675e+01 2.11254e+00 162.688 -2.27704e-01 7.09732e-02  0.00000e+00 0.00000e+00 5.99117e+00 162.688 3.87862e+00 162.688 0.1184 
1 1 1 16 19 0  o 5  6.51081e+01 3.95315e+01 4.04340e+01 180.000 -1.14482e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.47504e+00 180.000 3.59589e+01 0.000   0.8160 
1 1 1 16 19 1  o 12 1.08772e+02 3.23484e+01 1.97028e+01 9.146   1.67634e+00  2.69895e-01  0.00000e+00 0.00000e+00 3.92825e+01 9.146   1.95797e+01 9.146   0.6414 
1 1 1 16 19 2  o 12 1.05210e+02 3.24058e+01 5.75978e+01 56.405  2.65071e+00  3.99035e+00  0.00000e+00 0.00000e+00 2.14771e+01 56.405  3.61207e+01 236.405 0.8883 
1 1 1 16 19 3  o 7  5.65697e+01 2.57560e+01 2.81322e+01 178.764 -1.63974e+00 3.53694e-02  0.00000e+00 0.00000e+00 2.00834e+00 178.764 2.61239e+01 358.764 0.6289 
1 1 1 16 19 4  o 15 1.16294e+02 3.29707e+01 4.82930e+01 242.766 -2.23048e+00 -4.33374e+00 0.00000e+00 0.00000e+00 3.95839e+01 242.766 8.70915e+00 62.766  0.8904 
1 1 1 16 19 5  o 1  1.34288e+02 4.16672e+01 6.66869e+01 337.272 6.33670e+00  -2.65439e+00 0.00000e+00 0.00000e+00 3.88648e+01 337.272 2.78221e+01 157.272 0.9241 
1 1 1 16 19 6  o 2  8.45339e+01 2.79797e+01 2.07379e+01 150.557 -1.69426e+00 9.56331e-01  0.00000e+00 0.00000e+00 2.89153e+01 150.557 8.17739e+00 150.557 0.6886 
1 1 1 16 19 7  o 7  1.19811e+02 2.56366e+01 3.74196e+01 139.683 -3.90453e+00 3.31326e+00  0.00000e+00 0.00000e+00 5.44592e+01 139.683 1.70396e+01 139.683 0.8961 
1 1 1 16 19 8  o 4  7.96226e+01 2.79292e+01 3.51903e+01 332.362 2.63970e+00  -1.38221e+00 0.00000e+00 0.00000e+00 2.01069e+01 332.362 1.50834e+01 152.362 0.8085 
1 1 1 16 19 9  o 19 4.73179e+01 2.23116e+01 3.38067e+00 246.278 -7.81680e-02 -1.77885e-01 0.00000e+00 0.00000e+00 5.66572e-01 246.278 2.81409e+00 66.278  0.0967 
1 1 1 16 19 10 o 18 6.60904e+01 2.85908e+01 1.27738e+01 190.110 -9.32543e-01 -1.66275e-01 0.00000e+00 0.00000e+00 1.17114e+01 190.110 1.06247e+00 10.110  0.4274 
1 1 1 16 19 11 o 4  7.48272e+01 3.01941e+01 3.73248e+01 332.274 2.95962e+00  -1.55553e+00 0.00000e+00 0.00000e+00 1.69606e+01 332.274 2.03642e+01 152.274 0.8325 
1 1 1 16 19 12 o 13 6.00726e+01 2.64023e+01 1.05521e+01 43.829  7.07073e-01  6.78747e-01  0.00000e+00 0.00000e+00 1.25794e+01 43.829  2.02732e+00 43.829  0.4393 
1 1 1 16 19 13 o 1  6.17563e+01 2.69947e+01 3.14511e+01 121.872 -1.52693e+00 2.45574e+00  0.00000e+00 0.00000e+00 1.22173e+01 121.872 1.92338e+01 301.872 0.8017 
1 1 1 16 19 14 o 9  4.88331e+01 2.32184e+01 8.00188e+00 197.751 -6.55723e-01 -2.09915e-01 0.00000e+00 0.00000e+00 6.10771e+00 197.751 1.89417e+00 17.751  0.3253 
1 1 1 16 19 15 o 11 6.87604e+01 2.89214e+01 2.55472e+01 267.232 -1.34565e-01 -2.78321e+00 0.00000e+00 0.00000e+00 2.32252e+01 267.232 2.32200e+00 87.232  0.7929 
1 1 1 16 19 16 f 0  6.25137e+01 2.75239e+01 1.21296e+01 127.828 -7.77825e-01 1.00174e+00  0.00000e+00 0.00000e+00 1.79361e+01 127.828 5.80649e+00 127.828 0.5334 
1 1 1 16 20 0  o 19 1.16083e+02 4.98981e+01 7.47802e+01 180.000 -3.85781e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.53129e+01 180.000 4.94673e+01 0.000   0.9991 
1 1 1 16 20 1  o 7  5.80650e+01 2.61577e+01 1.04195e+01 188.051 -6.78103e-01 -9.59164e-02 0.00000e+00 0.00000e+00 5.81087e+00 188.051 4.60858e+00 8.051   0.3238 
1 1 1 16 20 2  o 15 1.38794e+02 4.17326e+01 6.83431e+01 328.721 6.04566e+00  -3.67278e+00 0.00000e+00 0.00000e+00 4.27292e+01 328.721 2.56139e+01 148.721 0.9263 
1 1 1 16 20 3  o 15 1.00100e+02 3.17716e+01 2.92849e+01 339.607 2.67756e+00  -9.95390e-01 0.00000e+00 0.00000e+00 3.98787e+01 339.607 1.05939e+01 339.607 0.7988 
1 1 1 16 20 4  o 5  8.21820e+01 3.09523e+01 2.56399e+01 133.292 -1.43623e+00 1.52455e+00  0.00000e+00 0.00000e+00 2.51128e+01 133.292 5.27125e-01 313.292 0.7127 
1 1 1 16 20 5  o 5  5.67416e+01 2.53350e+01 1.94038e+01 159.517 -1.17275e+00 4.38085e-01  0.00000e+00 0.00000e+00 6.64332e+00 159.517 1.27605e+01 339.517 0.5286 
1 1 1 16 20 6  o 7  5.22719e+01 2.41417e+01 3.93291e+01 245.185 -1.00725e+00 -2.17836e+00 0.00000e+00 0.00000e+00 5.02001e+00 65.185  4.43491e+01 65.185  0.7537 
1 1 1 16 20 7  o 1  5.23354e+01 2.35986e+01 2.05993e+01 266.800 -7.77280e-02 -1.39032e+00 0.00000e+00 0.00000e+00 5.39315e+00 266.800 1.52061e+01 86.800  0.5684 
1 1 1 16 20 8  o 17 1.09670e+02 2.64898e+01 5.27201e+01 63.031  3.54279e+00  6.96230e+00  0.00000e+00 0.00000e+00 3.70815e+01 63.031  1.56386e+01 243.031 0.9336 
1 1 1 16 20 9  o 1  4.83746e+01 2.27477e+01 1.54900e+01 167.661 -1.07722e+00 2.35650e-01  0.00000e+00 0.00000e+00 5.03078e+00 167.661 1.04593e+01 347.661 0.4816 
1 1 1 16 20 10 o 12 5.03073e+01 2.38020e+01 1.74644e+01 324.090 1.20851e+00  -8.75140e-01 0.00000e+00 0.00000e+00 8.99134e+00 324.090 8.47304e+00 144.090 0.5942 
1 1 1 16 20 11 o 4  8.95571e+01 3.06398e+01 2.58997e+01 48.643  2.00510e+00  2.27781e+00  0.00000e+00 0.00000e+00 3.88449e+01 48.643  1.29452e+01 48.643  0.8125 
1 1 1 16 20 12 f 0  6.71371e+01 2.82680e+01 2.54937e+01 187.154 -2.48997e+00 -3.12517e-01 0.00000e+00 0.00000e+00 2.05319e+01 187.154 4.96178e+00 7.154   0.7660 
1 1 1 16 20 13 o 16 5.39102e+01 2.49775e+01 2.68265e+01 229.646 -1.61549e+00 -1.90129e+00 0.00000e+00 0.00000e+00 1.02884e+01 229.646 1.65381e+01 49.646  0.7644 
1 1 1 16 20 14 o 9  5.61835e+01 2.55162e+01 1.49911e+01 296.287 6.80406e-01  -1.37749e+00 0.00000e+00 0.00000e+00 1.58301e+01 296.287 8.39000e-01 296.287 0.6050 
1 1 1 16 21 0  o 5  6.19007e+01 3.88359e+01 8.01758e+00 0.000   2.89226e-01  0.00000e+00  0.00000e+00 0.00000e+00 7.34872e+00 0.000   6.68854e-01 180.000 0.2814 
1 1 1 16 21 1  o 19 8.04010e+01 3.38521e+01 2.68606e+01 43.666  1.51511e+00  1.44618e+00  0.00000e+00 0.00000e+00 2.36978e+01 43.666  3.16274e+00 223.666 0.7127 
1 1 1 16 21 2  o 19 5.57157e+01 2.56169e+01 2.70468e+01 201.512 -1.71866e+00 -6.77417e-01 0.00000e+00 0.00000e+00 5.96591e+00 201.512 2.10809e+01 21.512  0.6710 
1 1 1 16 21 3  o 12 6.96570e+01 2.92180e+01 4.91353e+01 222.127 -2.80744e+00 -2.53909e+00 0.00000e+00 0.00000e+00 3.50212e+00 222.127 4.56331e+01 42.127  0.8547 
1 1 1 16 21 4  o 7  7.68706e+01 3.04857e+01 2.43637e+01 352.196 2.21001e+00  -3.02898e-01 0.00000e+00 0.00000e+00 2.54882e+01 352.196 1.12453e+00 352.196 0.7322 
1 1 1 16 21 5  o 4  7.14476e+01 2.84006e+01 2.19146e+01 93.969  -1.37686e-01 1.98431e+00  0.00000e+00 0.00000e+00 2.22255e+01 93.969  3.10941e-01 93.969  0.6960 
1 1 1 16 21 6  o 11 7.27475e+01 2.90204e+01 2.64140e+01 157.380 -2.15707e+00 8.98792e-01  0.00000e+00 0.00000e+00 2.18948e+01 157.380 4.51922e+00 337.380 0.7460 
1 1 1 16 21 7  o 19 6.40595e+01 2.69388e+01 3.55529e+01 335.107 2.67198e+00  -1.23989e+00 0.00000e+00 0.00000e+00 1.05511e+01 335.107 2.50017e+01 155.107 0.8059 
1 1 1 16 21 8  o 3  5.85151e+01 2.50587e+01 5.07470e+00 266.575 -2.87371e-02 -4.80201e-01 0.00000e+00 0.00000e+00 7.19103e+00 266.575 2.11633e+00 266.575 0.2338 
1 1 1 16 21 9  o 19 5.56240e+01 2.48030e+01 1.46734e+01 233.873 -7.75067e-01 -1.06182e+00 0.00000e+00 0.00000e+00 1.27120e+01 233.873 1.96139e+00 53.873  0.5469 
1 1 1 16 21 10 o 2  5.85123e+01 2.56664e+01 1.03172e+01 19.839  9.16641e-01  3.30719e-01  0.00000e+00 0.00000e+00 1.28283e+01 19.839  2.51107e+00 19.839  0.4373 
1 1 1 16 21 11 o 5  5.58634e+01 2.53320e+01 1.39606e+01 61.406  6.35319e-01  1.16553e+00  0.00000e+00 0.00000e+00 1.40064e+01 61.406  4.58454e-02 61.406  0.5505 
1 1 1 16 21 12 o 13 6.57245e+01 2.77408e+01 9.33570e+00 144.986 -8.32017e-01 5.82879e-01  0.00000e+00 0.00000e+00 1.78374e+01 144.986 8.50168e+00 144.986 0.4520 
1 1 1 16 22 0  o 5  5.49529e+01 3.55962e+01 2.21552e+01 0.000   9.86792e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.53403e+01 0.000   6.81491e+00 180.000 0.7560 
1 1 1 16 22 1  o 13 6.59503e+01 2.86431e+01 3.71301e+01 345.052 3.37300e+00  -9.00505e-01 0.00000e+00 0.00000e+00 1.29204e+01 345.052 2.42097e+01 165.052 0.8406 
1 1 1 16 22 2  o 6  5.71819e+01 2.59486e+01 5.87504e+00 317.962 3.92598e-01  -3.53970e-01 0.00000e+00 0.00000e+00 7.32362e+00 317.962 1.44858e+00 317.962 0.2555 
1 1 1 16 22 3  o 14 9.51756e+01 3.24625e+01 4.34111e+01 129.928 -3.28001e+00 3.91900e+00  0.00000e+00 0.00000e+00 3.37209e+01 129.928 9.69022e+00 309.928 0.8959 
1 1 1 16 22 4  o 14 6.82642e+01 3.06465e+01 2.38085e+01 115.867 -9.35431e-01 1.92925e+00  0.00000e+00 0.00000e+00 2.07357e+01 115.867 3.07280e+00 295.867 0.7201 
1 1 1 16 22 5  o 4  6.35216e+01 2.69622e+01 3.39942e+01 271.870 1.05187e-01  -3.22167e+00 0.00000e+00 0.00000e+00 1.36169e+01 271.870 2.03774e+01 91.870  0.8252 
1 1 1 16 22 6  o 17 4.84067e+01 2.27837e+01 5.70458e+00 262.677 -6.09829e-02 -4.74532e-01 0.00000e+00 0.00000e+00 4.55133e+00 262.677 1.15325e+00 82.677  0.2326 
1 1 1 16 22 7  o 3  6.56324e+01 2.65823e+01 3.06555e+01 71.608  9.90485e-01  2.97889e+00  0.00000e+00 0.00000e+00 1.85090e+01 71.608  1.21465e+01 251.608 0.8198 
1 1 1 16 22 8  o 9  7.16252e+01 2.80729e+01 1.21253e+01 222.101 -9.86009e-01 -8.90958e-01 0.00000e+00 0.00000e+00 2.40679e+01 222.101 1.19426e+01 222.101 0.5509 
1 1 1 16 22 9  o 18 6.43171e+01 2.66957e+01 5.08199e+00 298.391 2.69430e-01  -4.98487e-01 0.00000e+00 0.00000e+00 1.10645e+01 298.391 5.98247e+00 298.391 0.2725 
1 1 1 16 22 10 o 9  9.59699e+01 2.92079e+01 1.61101e+01 112.612 -9.24803e-01 2.22041e+00  0.00000e+00 0.00000e+00 5.08934e+01 112.612 3.47832e+01 112.612 0.7543 
1 1 1 16 23 0  o 19 5.10383e+01 3.40073e+01 2.50042e+01 0.000   1.09611e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.26998e+01 0.000   1.23044e+01 180.000 0.7991 
1 1 1 16 23 1  o 13 8.41905e+01 3.19620e+01 2.60198e+01 214.361 -2.29701e+00 -1.57053e+00 0.00000e+00 0.00000e+00 3.56797e+01 214.361 9.65990e+00 214.361 0.7925 
1 1 1 16 23 2  o 1  9.05005e+01 3.25343e+01 3.18419e+01 208.413 -3.14879e+00 -1.70346e+00 0.00000e+00 0.00000e+00 3.89410e+01 208.413 7.09902e+00 208.413 0.8452 
1 1 1 16 23 3  o 2  9.30486e+01 3.27519e+01 2.31662e+01 47.404  1.85700e+00  2.01979e+00  0.00000e+00 0.00000e+00 4.48665e+01 47.404  2.17003e+01 47.404  0.7891 
1 1 1 16 23 4  o 15 9.82636e+01 3.04069e+01 1.90650e+01 46.930  1.78105e+00  1.90526e+00  0.00000e+00 0.00000e+00 5.17367e+01 46.930  3.26716e+01 46.930  0.7763 
1 1 1 16 23 5  o 5  6.04293e+01 2.61653e+01 2.71652e+01 272.196 1.03398e-01  -2.69656e+00 0.00000e+00 0.00000e+00 1.69645e+01 272.196 1.02006e+01 92.196  0.7850 
1 1 1 16 23 6  o 9  6.36712e+01 2.69059e+01 1.40825e+01 338.746 1.43097e+00  -5.56577e-01 0.00000e+00 0.00000e+00 2.18396e+01 338.746 7.75714e+00 338.746 0.6048 
1 1 1 16 23 7  o 6  8.45560e+01 2.92599e+01 2.19160e+01 106.794 -8.28844e-01 2.74636e+00  0.00000e+00 0.00000e+00 4.13802e+01 106.794 1.94642e+01 106.794 0.7998 
1 1 1 16 23 8  o 2  5.28069e+01 2.38596e+01 1.03475e+01 162.874 -1.01668e+00 3.13267e-01  0.00000e+00 0.00000e+00 1.28988e+01 162.874 2.55125e+00 162.874 0.4686 
1 1 1 16 24 0  o 8  4.63402e+01 3.18815e+01 1.52779e+01 0.000   7.31810e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.21401e+01 0.000   3.13772e+00 180.000 0.6242 
1 1 1 16 24 1  o 18 4.94032e+01 2.35747e+01 2.35698e+01 188.946 -2.27153e+00 -3.57565e-01 0.00000e+00 0.00000e+00 1.11550e+01 188.946 1.24148e+01 8.946   0.7413 
1 1 1 16 24 2  o 2  5.06837e+01 2.40785e+01 2.41881e+01 122.788 -1.28128e+00 1.98908e+00  0.00000e+00 0.00000e+00 1.18625e+01 122.788 1.23257e+01 302.788 0.7496 
1 1 1 16 24 3  o 2  6.08925e+01 2.72418e+01 9.86214e+00 82.396  1.33348e-01  9.98910e-01  0.00000e+00 0.00000e+00 1.61216e+01 82.396  6.25950e+00 82.396  0.4491 
1 1 1 17 0  1  o 5  6.98478e+02 3.72840e+01 2.74300e+02 90.000  1.50479e-15  2.45751e+01  0.00000e+00 0.00000e+00 1.72187e+02 90.000  1.02113e+02 270.000 1.0000 
1 1 1 17 0  2  o 19 6.36759e+01 3.87682e+01 7.22300e+00 180.000 -5.86292e-02 0.00000e+00  0.00000e+00 0.00000e+00 4.83752e+00 0.000   1.20605e+01 0.000   0.0586 
1 1 1 17 0  3  o 9  6.93901e+01 3.96522e+01 7.95886e+00 270.000 -4.55649e-18 -7.44131e-02 0.00000e+00 0.00000e+00 4.65761e+00 90.000  1.26165e+01 90.000  0.0743 
1 1 1 17 0  4  o 8  8.76118e+01 4.36761e+01 1.38893e+01 180.000 -1.61041e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.91367e+00 0.000   1.88030e+01 0.000   0.1597 
1 1 1 17 0  5  o 7  5.84204e+01 3.62839e+01 1.31384e+01 270.000 -6.35036e-18 -1.03709e-01 0.00000e+00 0.00000e+00 9.25592e+00 90.000  2.23944e+01 90.000  0.1033 
1 1 1 17 0  6  o 8  1.71091e+02 3.66804e+01 6.99417e+01 0.000   2.03379e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.66803e+01 0.000   3.32613e+01 180.000 0.9663 
1 1 1 17 0  7  o 18 2.79598e+01 2.04275e+01 2.44920e+01 270.000 -8.26856e-18 -1.35036e-01 0.00000e+00 0.00000e+00 2.20639e+01 90.000  4.65559e+01 90.000  0.1342 
1 1 1 17 0  8  o 3  8.56018e+01 4.40864e+01 2.53157e+00 180.000 -3.86645e-02 0.00000e+00  0.00000e+00 0.00000e+00 3.83071e-01 0.000   2.91464e+00 0.000   0.0386 
1 1 1 17 0  9  o 14 1.02078e+02 4.73899e+01 4.54250e+01 90.000  5.25308e-17  8.57893e-01  0.00000e+00 0.00000e+00 8.60117e-01 90.000  4.45648e+01 270.000 0.6952 
1 1 1 17 0  10 o 10 8.93723e+01 3.99655e+01 3.71907e+01 0.000   6.89248e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.19311e+00 180.000 3.93839e+01 180.000 0.5975 
1 1 1 17 0  11 o 17 8.84212e+01 4.78544e+01 7.04488e+01 270.000 -8.54843e-17 -1.39606e+00 0.00000e+00 0.00000e+00 1.89198e+01 90.000  8.93686e+01 90.000  0.8845 
1 1 1 17 0  12 o 8  1.01804e+02 4.90467e+01 2.42170e+01 180.000 -6.28387e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.33573e+01 180.000 1.08597e+01 0.000   0.5569 
1 1 1 17 0  13 o 3  1.10018e+02 4.79531e+01 6.40041e+01 90.000  1.26396e-16  2.06421e+00  0.00000e+00 0.00000e+00 7.04005e+00 90.000  5.69640e+01 270.000 0.9683 
1 1 1 17 0  14 o 17 1.48864e+02 3.66773e+01 5.51041e+01 180.000 -2.89701e+00 0.00000e+00  0.00000e+00 0.00000e+00 4.42436e+01 180.000 1.08605e+01 0.000   0.9939 
1 1 1 17 0  15 o 18 7.82410e+01 4.00077e+01 8.96271e+00 90.000  1.49230e-17  2.43711e-01  0.00000e+00 0.00000e+00 3.68513e+00 90.000  5.27758e+00 270.000 0.2390 
1 1 1 17 0  17 o 12 1.02563e+02 4.32598e+01 2.27274e+01 270.000 -5.38054e-17 -8.78709e-01 0.00000e+00 0.00000e+00 2.70293e+01 270.000 4.30198e+00 270.000 0.7058 
1 1 1 17 0  18 o 7  7.00570e+01 3.97308e+01 7.40066e+01 180.000 -2.67561e+00 0.00000e+00  0.00000e+00 0.00000e+00 2.58825e+01 0.000   9.98891e+01 0.000   0.9906 
1 1 1 17 0  19 f 0  6.96956e+01 4.04672e+01 3.86691e+00 90.000  8.00547e-18  1.30739e-01  0.00000e+00 0.00000e+00 2.47513e+00 90.000  1.39178e+00 270.000 0.1300 
1 1 1 17 0  20 o 6  6.61063e+01 3.91273e+01 8.65685e+00 180.000 -3.54915e-01 0.00000e+00  0.00000e+00 0.00000e+00 7.26540e+00 180.000 1.39145e+00 0.000   0.3407 
1 1 1 17 0  21 o 15 5.32293e+01 3.46653e+01 5.98209e+00 90.000  1.53761e-17  2.51111e-01  0.00000e+00 0.00000e+00 3.36905e+00 90.000  2.61304e+00 270.000 0.2460 
1 1 1 17 0  23 o 10 5.55447e+01 3.57469e+01 1.05208e+01 90.000  3.26001e-17  5.32401e-01  0.00000e+00 0.00000e+00 9.24184e+00 90.000  1.27893e+00 270.000 0.4872 
1 1 1 17 1  0  o 5  1.74921e+02 3.77885e+01 2.85150e+01 270.000 -3.91200e-17 -6.38878e-01 0.00000e+00 0.00000e+00 3.45813e+01 270.000 6.06629e+00 270.000 0.5641 
1 1 1 17 1  1  o 9  3.74799e+02 2.00627e+01 9.49046e+01 198.682 -8.85318e+00 -2.99346e+00 0.00000e+00 0.00000e+00 1.31593e+02 198.682 3.66884e+01 198.682 0.9449 
1 1 1 17 1  6  o 3  1.78017e+02 2.26478e+01 5.63988e+01 201.669 -3.22693e+00 -1.28216e+00 0.00000e+00 0.00000e+00 4.00461e+01 201.669 1.63527e+01 21.669  0.8396 
1 1 1 17 1  7  o 12 2.53167e+02 1.99285e+01 8.20620e+01 152.200 -7.07510e+00 3.73033e+00  0.00000e+00 0.00000e+00 7.12113e+01 152.200 1.08507e+01 332.200 0.9352 
1 1 1 17 1  8  o 14 1.76584e+02 2.38779e+01 4.40030e+01 305.543 1.80471e+00  -2.52614e+00 0.00000e+00 0.00000e+00 4.97939e+01 305.543 5.79086e+00 305.543 0.8174 
1 1 1 17 1  9  o 6  2.04653e+02 2.31637e+01 7.58993e+01 159.385 -5.78733e+00 2.17710e+00  0.00000e+00 0.00000e+00 4.63210e+01 159.385 2.95782e+01 339.385 0.9151 
1 1 1 17 1  10 o 4  8.11837e+01 2.92374e+01 2.69403e+01 65.348  3.75357e-01  8.17877e-01  0.00000e+00 0.00000e+00 5.12463e+00 245.348 3.20650e+01 245.348 0.4098 
1 1 1 17 1  11 o 12 5.28210e+01 2.49190e+01 5.11464e+01 334.641 1.18569e+00  -5.61962e-01 0.00000e+00 0.00000e+00 3.21294e+01 154.641 8.32758e+01 154.641 0.5461 
1 1 1 17 1  12 o 4  1.10061e+02 3.35784e+01 1.68784e+01 56.871  5.24042e-01  8.02996e-01  0.00000e+00 0.00000e+00 1.46201e+01 56.871  2.25830e+00 236.871 0.4316 
1 1 1 17 1  13 o 16 5.70131e+01 2.55822e+01 2.54067e+01 323.204 7.52750e-01  -5.63039e-01 0.00000e+00 0.00000e+00 9.24896e+00 143.204 3.46556e+01 143.204 0.4247 
1 1 1 17 1  14 o 8  8.78475e+01 2.93562e+01 2.77775e+01 265.398 -1.32304e-01 -1.64378e+00 0.00000e+00 0.00000e+00 9.45531e+00 265.398 1.83222e+01 85.398  0.6309 
1 1 1 17 1  15 o 16 1.21179e+02 2.66371e+01 1.46371e+01 96.661  -1.46075e-01 1.25091e+00  0.00000e+00 0.00000e+00 2.88917e+01 96.661  1.42546e+01 96.661  0.5308 
1 1 1 17 1  16 o 4  9.27401e+01 2.92880e+01 1.37010e+01 116.971 -4.11503e-01 8.08623e-01  0.00000e+00 0.00000e+00 1.23962e+01 116.971 1.30473e+00 296.971 0.4126 
1 1 1 17 1  17 o 2  6.96155e+01 2.79245e+01 1.25933e+01 106.885 -2.00019e-01 6.58946e-01  0.00000e+00 0.00000e+00 2.98609e+00 106.885 9.60722e+00 286.885 0.3254 
1 1 1 17 1  18 o 15 6.12855e+01 2.64841e+01 1.37465e+01 257.797 -1.89723e-01 -8.77251e-01 0.00000e+00 0.00000e+00 3.64127e+00 257.797 1.01053e+01 77.797  0.4089 
1 1 1 17 1  19 o 17 4.39820e+01 2.12496e+01 1.95489e+01 62.126  4.45488e-01  8.42299e-01  0.00000e+00 0.00000e+00 6.32116e+00 242.126 2.58701e+01 242.126 0.4294 
1 1 1 17 1  20 o 1  9.20788e+01 3.04908e+01 8.48243e+00 11.199  8.86290e-01  1.75470e-01  0.00000e+00 0.00000e+00 1.82937e+01 11.199  9.81123e+00 11.199  0.4112 
1 1 1 17 1  21 o 12 6.28602e+01 2.71478e+01 2.91726e+01 278.287 3.87102e-01  -2.65755e+00 0.00000e+00 0.00000e+00 6.03494e+00 278.287 2.31377e+01 98.287  0.7838 
1 1 1 17 1  22 o 19 6.02710e+01 2.65997e+01 8.04769e+00 146.010 -6.11197e-01 4.12094e-01  0.00000e+00 0.00000e+00 7.00042e+00 146.010 1.04727e+00 326.010 0.3456 
1 1 1 17 1  23 o 2  8.07434e+01 2.97532e+01 1.18831e+01 11.353  1.47230e+00  2.95598e-01  0.00000e+00 0.00000e+00 2.33107e+01 11.353  1.14276e+01 11.353  0.5965 
1 1 1 17 2  0  o 19 6.92322e+02 3.70522e+01 2.13147e+02 90.000  1.15860e-15  1.89214e+01  0.00000e+00 0.00000e+00 2.30239e+02 90.000  1.70919e+01 90.000  1.0000 
1 1 1 17 2  1  o 3  5.28902e+02 3.23395e+01 1.81978e+02 243.449 -1.07111e+01 -2.14352e+01 0.00000e+00 0.00000e+00 1.49686e+02 243.449 3.22913e+01 63.449  0.9789 
1 1 1 17 2  2  o 2  4.61570e+02 2.07768e+01 1.66928e+02 276.330 2.36429e+00  -2.13115e+01 0.00000e+00 0.00000e+00 1.21990e+02 276.330 4.49374e+01 96.330  0.9764 
1 1 1 17 2  3  o 1  1.61775e+02 2.44245e+01 3.96708e+01 26.073  1.57687e+00  7.71570e-01  0.00000e+00 0.00000e+00 2.81640e+01 26.073  1.15069e+01 206.073 0.6533 
1 1 1 17 2  4  o 18 1.57706e+02 2.44989e+01 4.25903e+01 212.751 -1.53910e+00 -9.90025e-01 0.00000e+00 0.00000e+00 2.51290e+01 212.751 1.74613e+01 32.751  0.6678 
1 1 1 17 2  5  o 16 7.45827e+01 3.18919e+01 4.75275e+01 43.177  8.50035e-01  7.97604e-01  0.00000e+00 0.00000e+00 2.33972e+01 223.177 7.09248e+01 223.177 0.5020 
1 1 1 17 2  6  o 7  7.84476e+01 2.90359e+01 5.86823e+01 91.253  -3.35363e-02 1.53347e+00  0.00000e+00 0.00000e+00 2.80407e+01 271.253 8.67230e+01 271.253 0.6044 
1 1 1 17 2  7  o 19 1.94188e+02 2.22157e+01 3.90538e+01 69.019  1.03190e+00  2.69087e+00  0.00000e+00 0.00000e+00 6.17833e+01 69.019  2.27296e+01 69.019  0.8009 
1 1 1 17 2  8  o 13 2.65364e+02 2.03197e+01 4.79858e+01 54.229  3.03291e+00  4.20968e+00  0.00000e+00 0.00000e+00 1.07037e+02 54.229  5.90514e+01 54.229  0.8976 
1 1 1 17 2  9  o 19 1.64091e+02 2.57071e+01 3.04824e+01 279.154 3.38814e-01  -2.10251e+00 0.00000e+00 0.00000e+00 4.65239e+01 279.154 1.60416e+01 279.154 0.7180 
1 1 1 17 2  10 o 4  1.53311e+02 2.87333e+01 4.42021e+01 297.239 1.47063e+00  -2.85672e+00 0.00000e+00 0.00000e+00 3.88267e+01 297.239 5.37536e+00 117.239 0.8246 
1 1 1 17 2  11 o 19 2.80609e+02 2.32421e+01 8.61810e+01 169.700 -1.28654e+01 2.33813e+00  0.00000e+00 0.00000e+00 9.18660e+01 169.700 5.68498e+00 169.700 0.9610 
1 1 1 17 2  12 o 13 2.79284e+02 2.20310e+01 7.08787e+01 133.876 -7.94937e+00 8.26744e+00  0.00000e+00 0.00000e+00 1.06318e+02 133.876 3.54396e+01 133.876 0.9554 
1 1 1 17 2  13 o 11 2.36447e+02 1.97015e+01 6.29173e+01 335.063 9.28235e+00  -4.31596e+00 0.00000e+00 0.00000e+00 8.71749e+01 335.063 2.42576e+01 335.063 0.9498 
1 1 1 17 2  15 o 11 6.88913e+01 2.77483e+01 2.74450e+01 46.659  9.07503e-01  9.61630e-01  0.00000e+00 0.00000e+00 1.80804e+00 226.659 2.92530e+01 226.659 0.5490 
1 1 1 17 2  16 o 12 2.27750e+02 2.93680e+01 8.38837e+01 168.458 -1.37769e+01 2.81352e+00  0.00000e+00 0.00000e+00 6.60625e+01 168.458 1.78212e+01 348.458 0.9638 
1 1 1 17 2  17 o 10 2.17237e+02 1.84961e+01 7.78873e+01 164.171 -1.44921e+01 4.10884e+00  0.00000e+00 0.00000e+00 6.67005e+01 164.171 1.11868e+01 344.171 0.9662 
1 1 1 17 2  18 o 7  1.09150e+02 2.90874e+01 3.70630e+01 1.586   4.08636e+00  1.13174e-01  0.00000e+00 0.00000e+00 2.86888e+01 1.586   8.37415e+00 181.586 0.8668 
1 1 1 17 2  19 o 15 9.41631e+01 2.99639e+01 1.87293e+01 343.852 1.59905e+00  -4.63001e-01 0.00000e+00 0.00000e+00 2.31676e+01 343.852 4.43830e+00 343.852 0.6343 
1 1 1 17 2  20 o 3  8.54624e+01 3.04131e+01 1.10118e+01 343.692 1.04602e+00  -3.06029e-01 0.00000e+00 0.00000e+00 1.78865e+01 343.692 6.87475e+00 343.692 0.4773 
1 1 1 17 2  21 o 12 1.07622e+02 3.07532e+01 4.05239e+01 13.520  5.59375e+00  1.34504e+00  0.00000e+00 0.00000e+00 2.94476e+01 13.520  1.10763e+01 193.520 0.9083 
1 1 1 17 2  22 o 1  1.01090e+02 3.12591e+01 2.22446e+01 156.380 -2.72523e+00 1.19178e+00  0.00000e+00 0.00000e+00 3.68624e+01 156.380 1.46178e+01 156.380 0.8081 
1 1 1 17 2  23 o 17 1.45484e+02 2.64795e+01 3.58088e+01 186.579 -9.08150e+00 -1.04735e+00 0.00000e+00 0.00000e+00 6.46560e+01 186.579 2.88472e+01 186.579 0.9436 
1 1 1 17 3  0  o 9  1.01870e+02 4.51907e+01 1.07194e+01 270.000 -8.84016e-18 -1.44371e-01 0.00000e+00 0.00000e+00 1.34046e+00 90.000  1.20599e+01 90.000  0.1434 
1 1 1 17 3  1  f 0  3.39975e+02 2.87355e+01 1.50545e+02 344.868 1.32775e+01  -3.59051e+00 0.00000e+00 0.00000e+00 5.97275e+01 344.868 9.08177e+01 164.868 0.9629 
1 1 1 17 3  2  o 1  1.30544e+02 2.80776e+01 4.14693e+01 77.678  3.10977e-01  1.42369e+00  0.00000e+00 0.00000e+00 7.65211e+00 77.678  3.38172e+01 257.678 0.5854 
1 1 1 17 3  4  o 18 3.10310e+02 1.90322e+01 6.72519e+01 304.633 4.20262e+00  -6.08450e+00 0.00000e+00 0.00000e+00 1.18751e+02 304.633 5.14986e+01 304.633 0.9297 
1 1 1 17 3  5  o 8  2.04499e+02 2.06793e+01 2.11892e+01 311.733 1.00984e+00  -1.13211e+00 0.00000e+00 0.00000e+00 5.81419e+01 311.733 3.69528e+01 311.733 0.6003 
1 1 1 17 3  6  f 0  2.65524e+02 1.95924e+01 2.57762e+01 75.858  6.47216e-01  2.56864e+00  0.00000e+00 0.00000e+00 1.08476e+02 75.858  8.26997e+01 75.858  0.7803 
1 1 1 17 3  7  o 18 1.64899e+02 2.41888e+01 3.85727e+01 330.001 2.06631e+00  -1.19293e+00 0.00000e+00 0.00000e+00 4.20452e+01 330.001 3.47253e+00 330.001 0.7520 
1 1 1 17 3  8  o 1  2.82940e+02 2.87767e+01 6.78655e+01 212.513 -6.24261e+00 -3.97890e+00 0.00000e+00 0.00000e+00 1.03811e+02 212.513 3.59454e+01 212.513 0.9298 
1 1 1 17 3  9  o 4  9.65334e+01 2.93701e+01 4.45869e+01 24.915  1.61390e+00  7.49674e-01  0.00000e+00 0.00000e+00 2.95487e+00 204.915 4.75418e+01 204.915 0.6580 
1 1 1 17 3  12 o 18 1.87361e+02 2.59641e+01 4.85862e+01 127.125 -3.06725e+00 4.05200e+00  0.00000e+00 0.00000e+00 6.31067e+01 127.125 1.45205e+01 127.125 0.8953 
1 1 1 17 3  13 o 18 3.83937e+02 2.31657e+01 5.34438e+01 244.746 -5.81694e+00 -1.23312e+01 0.00000e+00 0.00000e+00 1.94210e+02 244.746 1.40766e+02 244.746 0.9626 
1 1 1 17 3  14 o 5  1.10358e+02 3.57891e+01 2.74936e+01 114.795 -7.58555e-01 1.64201e+00  0.00000e+00 0.00000e+00 2.19252e+01 114.795 5.56844e+00 294.795 0.6637 
1 1 1 17 3  15 o 9  5.34246e+01 2.43421e+01 3.09333e+00 209.633 -1.04734e-01 -5.95778e-02 0.00000e+00 0.00000e+00 9.09793e-01 29.633  4.00312e+00 29.633  0.0601 
1 1 1 17 3  16 o 4  1.46175e+02 2.45324e+01 3.62132e+01 304.948 2.38546e+00  -3.41339e+00 0.00000e+00 0.00000e+00 5.08507e+01 304.948 1.46375e+01 304.948 0.8696 
1 1 1 17 3  17 o 19 6.90547e+01 2.78952e+01 3.22023e+01 18.332  1.89757e+00  6.28733e-01  0.00000e+00 0.00000e+00 1.07047e+00 18.332  3.11318e+01 198.332 0.6976 
1 1 1 17 3  18 o 17 1.25880e+02 2.78279e+01 3.15816e+01 95.858  -4.20076e-01 4.09438e+00  0.00000e+00 0.00000e+00 4.45401e+01 95.858  1.29586e+01 95.858  0.8678 
1 1 1 17 3  19 o 6  5.04835e+01 2.36272e+01 1.04953e+01 167.708 -5.50001e-01 1.19841e-01  0.00000e+00 0.00000e+00 8.77684e-01 347.708 1.13730e+01 347.708 0.2709 
1 1 1 17 3  20 o 7  6.31138e+01 2.71565e+01 2.08936e+01 308.665 1.03235e+00  -1.29020e+00 0.00000e+00 0.00000e+00 7.42093e+00 308.665 1.34727e+01 128.665 0.6316 
1 1 1 17 3  21 o 5  8.59523e+01 3.07625e+01 1.89951e+01 25.998  1.93258e+00  9.42495e-01  0.00000e+00 0.00000e+00 2.54776e+01 25.998  6.48253e+00 25.998  0.7210 
1 1 1 17 3  22 o 8  7.34186e+01 2.94468e+01 1.61711e+01 265.064 -1.49605e-01 -1.73226e+00 0.00000e+00 0.00000e+00 1.84433e+01 265.064 2.27222e+00 265.064 0.6498 
1 1 1 17 3  23 o 1  1.06165e+02 3.08020e+01 1.48992e+01 195.537 -2.30397e+00 -6.40549e-01 0.00000e+00 0.00000e+00 4.37332e+01 195.537 2.88340e+01 195.537 0.7526 
1 1 1 17 4  0  o 8  9.09894e+02 4.57646e+01 2.91161e+02 270.000 -2.13409e-15 -3.48524e+01 0.00000e+00 0.00000e+00 2.95305e+02 270.000 4.14403e+00 270.000 1.0000 
1 1 1 17 4  1  o 14 8.29869e+01 3.02696e+01 1.22791e+01 30.685  2.33042e-01  1.38288e-01  0.00000e+00 0.00000e+00 5.09577e+00 210.685 1.73749e+01 210.685 0.1343 
1 1 1 17 4  3  o 18 1.35731e+02 2.70151e+01 3.64899e+01 57.394  9.08382e-01  1.42009e+00  0.00000e+00 0.00000e+00 1.95233e+01 57.394  1.69665e+01 237.394 0.6388 
1 1 1 17 4  4  o 19 9.26816e+01 2.96955e+01 3.24881e+01 136.296 -7.26184e-01 6.94042e-01  0.00000e+00 0.00000e+00 5.61858e+00 316.296 3.81067e+01 316.296 0.4480 
1 1 1 17 4  5  o 5  6.65756e+01 2.72425e+01 3.91829e+01 190.310 -8.65436e-01 -1.57427e-01 0.00000e+00 0.00000e+00 2.18184e+01 10.310  6.10012e+01 10.310  0.4021 
1 1 1 17 4  6  f 0  7.30676e+01 2.85684e+01 2.18811e+01 258.024 -1.21490e-01 -5.72739e-01 0.00000e+00 0.00000e+00 8.53263e+00 78.024  3.04137e+01 78.024  0.2809 
1 1 1 17 4  7  o 8  8.95256e+01 3.03988e+01 3.82697e+01 244.530 -5.63798e-01 -1.18361e+00 0.00000e+00 0.00000e+00 6.38191e+00 64.530  4.46516e+01 64.530  0.5458 
1 1 1 17 4  8  o 1  1.58861e+02 2.65940e+01 6.48747e+01 315.075 2.84985e+00  -2.84243e+00 0.00000e+00 0.00000e+00 2.50815e+01 315.075 3.97931e+01 135.075 0.8645 
1 1 1 17 4  9  o 17 9.82789e+01 2.97330e+01 1.46009e+01 141.407 -4.61285e-01 3.68153e-01  0.00000e+00 0.00000e+00 3.69231e+00 141.407 1.09086e+01 321.407 0.2829 
1 1 1 17 4  10 o 1  7.53993e+01 3.04415e+01 5.52856e+00 128.078 -1.19536e-01 1.52572e-01  0.00000e+00 0.00000e+00 7.21141e-01 308.078 6.24970e+00 308.078 0.0965 
1 1 1 17 4  11 o 9  1.81661e+02 2.70147e+01 3.52339e+01 117.465 -1.53825e+00 2.95938e+00  0.00000e+00 0.00000e+00 6.52033e+01 117.465 2.99694e+01 117.465 0.8320 
1 1 1 17 4  12 o 3  2.01656e+02 2.25052e+01 4.93172e+01 313.679 4.63217e+00  -4.85088e+00 0.00000e+00 0.00000e+00 7.49668e+01 313.679 2.56495e+01 313.679 0.9221 
1 1 1 17 4  13 o 16 3.56612e+02 1.81874e+01 6.80178e+01 0.479   1.87669e+01  1.56983e-01  0.00000e+00 0.00000e+00 1.65360e+02 0.479   9.73426e+01 0.479   0.9730 
1 1 1 17 4  16 o 15 9.92430e+01 2.95435e+01 3.87000e+01 268.477 -7.47232e-02 -2.80987e+00 0.00000e+00 0.00000e+00 1.55422e+01 268.477 2.31578e+01 88.477  0.7950 
1 1 1 17 4  17 o 12 1.93685e+02 3.22871e+01 7.95543e+01 357.589 1.27657e+01  -5.37430e-01 0.00000e+00 0.00000e+00 4.93549e+01 357.589 3.01994e+01 177.589 0.9600 
1 1 1 17 4  18 o 7  5.58244e+01 2.50451e+01 4.37379e+01 343.522 2.47433e+00  -7.31916e-01 0.00000e+00 0.00000e+00 1.35386e+01 163.522 5.72765e+01 163.522 0.7735 
1 1 1 17 4  19 o 8  6.23491e+01 2.69367e+01 4.98028e+00 268.731 -7.55694e-03 -3.41102e-01 0.00000e+00 0.00000e+00 2.42147e+00 268.731 2.55881e+00 88.731  0.1682 
1 1 1 17 4  20 o 15 5.90055e+01 2.62237e+01 5.75217e+00 138.439 -3.16386e-01 2.80521e-01  0.00000e+00 0.00000e+00 2.94877e+00 138.439 2.80340e+00 318.438 0.2068 
1 1 1 17 4  21 f 0  1.61373e+02 2.41951e+01 3.81814e+01 150.670 -8.40662e+00 4.72332e+00  0.00000e+00 0.00000e+00 7.18613e+01 150.670 3.36799e+01 150.670 0.9466 
1 1 1 17 4  22 o 13 6.75722e+01 2.84374e+01 4.62369e-01 305.102 2.71031e-02  -3.85608e-02 0.00000e+00 0.00000e+00 6.96942e-01 305.102 2.34573e-01 305.102 0.0236 
1 1 1 17 4  23 o 13 5.64646e+01 2.57020e+01 6.14834e+00 345.726 6.04350e-01  -1.53755e-01 0.00000e+00 0.00000e+00 6.22665e+00 345.726 7.83093e-02 345.726 0.2976 
1 1 1 17 5  0  o 7  6.02035e+01 3.75876e+01 5.08916e+00 90.000  3.20469e-18  5.23366e-02  0.00000e+00 0.00000e+00 3.05040e+00 270.000 8.13957e+00 270.000 0.0523 
1 1 1 17 5  1  o 14 2.54701e+02 2.09771e+01 8.92655e+01 159.881 -7.51116e+00 2.75152e+00  0.00000e+00 0.00000e+00 6.50446e+01 159.881 2.42209e+01 339.881 0.9352 
1 1 1 17 5  2  o 16 7.83953e+01 3.26437e+01 6.53537e+01 245.592 -6.94291e-01 -1.52998e+00 0.00000e+00 0.00000e+00 3.29480e+01 65.592  9.83017e+01 65.592  0.6376 
1 1 1 17 5  3  o 8  5.23889e+02 2.19909e+01 1.27024e+02 7.404   2.30098e+01  2.99005e+00  0.00000e+00 0.00000e+00 2.05629e+02 7.404   7.86044e+01 7.404   0.9782 
1 1 1 17 5  4  o 5  2.53282e+02 2.01711e+01 9.14487e+01 50.171  5.74972e+00  6.89400e+00  0.00000e+00 0.00000e+00 6.37866e+01 50.171  2.76621e+01 230.171 0.9425 
1 1 1 17 5  5  f 0  1.03483e+02 2.90281e+01 2.50711e+01 68.437  3.48789e-01  8.82622e-01  0.00000e+00 0.00000e+00 3.79766e+00 68.437  2.12734e+01 248.437 0.4280 
1 1 1 17 5  6  o 13 3.54823e+02 1.96381e+01 9.62159e+01 206.097 -1.26182e+01 -6.18074e+00 0.00000e+00 0.00000e+00 1.27267e+02 206.097 3.10512e+01 206.097 0.9637 
1 1 1 17 5  7  f 0  2.43690e+02 2.05468e+01 1.07657e+02 215.188 -8.72669e+00 -6.15317e+00 0.00000e+00 0.00000e+00 4.44528e+01 215.188 6.32040e+01 35.188  0.9520 
1 1 1 17 5  8  o 7  3.41184e+02 2.03423e+01 7.19459e+01 28.321  9.53862e+00  5.14043e+00  0.00000e+00 0.00000e+00 1.41987e+02 28.321  7.00413e+01 28.321  0.9527 
1 1 1 17 5  9  o 18 7.53821e+01 2.88815e+01 2.72047e+01 349.316 9.55630e-01  -1.80284e-01 0.00000e+00 0.00000e+00 5.45193e+00 169.316 3.26566e+01 169.316 0.4366 
1 1 1 17 5  10 o 16 1.62073e+02 2.88204e+01 5.87427e+01 102.109 -1.02899e+00 4.79630e+00  0.00000e+00 0.00000e+00 3.71852e+01 102.109 2.15575e+01 282.109 0.8911 
1 1 1 17 5  11 o 13 1.74191e+02 2.73706e+01 4.93271e+01 111.528 -1.74415e+00 4.42149e+00  0.00000e+00 0.00000e+00 5.38764e+01 111.528 4.54931e+00 111.528 0.8873 
1 1 1 17 5  12 o 13 2.02590e+02 2.79833e+01 5.35273e+01 290.592 2.41492e+00  -6.42756e+00 0.00000e+00 0.00000e+00 7.21914e+01 290.592 1.86641e+01 290.592 0.9240 
1 1 1 17 5  13 o 4  1.14985e+02 3.12389e+01 3.12846e+01 246.657 -9.41810e-01 -2.18239e+00 0.00000e+00 0.00000e+00 2.70705e+01 246.657 4.21410e+00 66.657  0.7509 
1 1 1 17 5  14 o 12 1.37151e+02 3.15137e+01 1.19088e+01 304.111 6.11141e-01  -9.02275e-01 0.00000e+00 0.00000e+00 3.26350e+01 304.111 2.07261e+01 304.111 0.4773 
1 1 1 17 5  15 o 10 1.34854e+02 2.53040e+01 4.40772e+01 20.078  4.23081e+00  1.54638e+00  0.00000e+00 0.00000e+00 3.73095e+01 20.078  6.76775e+00 200.078 0.8805 
1 1 1 17 5  16 o 4  1.00326e+02 2.97667e+01 2.08878e+01 97.220  -2.02087e-01 1.59520e+00  0.00000e+00 0.00000e+00 2.22019e+01 97.220  1.31414e+00 97.220  0.6217 
1 1 1 17 5  17 o 12 1.30742e+02 2.69823e+01 2.96213e+01 192.432 -3.44026e+00 -7.58390e-01 0.00000e+00 0.00000e+00 4.70908e+01 192.432 1.74694e+01 192.432 0.8423 
1 1 1 17 5  18 o 4  7.67156e+01 2.91418e+01 1.63357e+01 263.023 -1.48345e-01 -1.21220e+00 0.00000e+00 0.00000e+00 1.16626e+01 263.023 4.67303e+00 83.023  0.5193 
1 1 1 17 5  19 o 9  1.18276e+02 2.90665e+01 4.70906e+01 348.739 5.72407e+00  -1.13974e+00 0.00000e+00 0.00000e+00 2.92374e+01 348.739 1.78532e+01 168.739 0.9097 
1 1 1 17 5  20 o 1  1.10052e+02 3.36057e+01 1.93372e+01 275.689 2.19157e-01  -2.20007e+00 0.00000e+00 0.00000e+00 3.81794e+01 275.689 1.88422e+01 275.689 0.7295 
1 1 1 17 5  21 o 15 1.01303e+02 3.03518e+01 3.63000e+01 159.764 -4.52917e+00 1.66968e+00  0.00000e+00 0.00000e+00 2.89019e+01 159.764 7.39807e+00 339.764 0.8892 
1 1 1 17 5  22 o 9  1.77810e+02 2.75258e+01 4.03137e+01 93.836  -7.42602e-01 1.10750e+01  0.00000e+00 0.00000e+00 8.37861e+01 93.836  4.34724e+01 93.836  0.9538 
1 1 1 17 6  0  o 8  4.92533e+02 3.11586e+01 1.85868e+02 90.000  9.77583e-16  1.59651e+01  0.00000e+00 0.00000e+00 1.34994e+02 90.000  5.08744e+01 270.000 1.0000 
1 1 1 17 6  1  o 3  2.26034e+02 2.22301e+01 9.12408e+01 70.372  2.41272e+00  6.76516e+00  0.00000e+00 0.00000e+00 4.53707e+01 70.372  4.58701e+01 250.372 0.9275 
1 1 1 17 6  3  f 0  4.76812e+02 2.12701e+01 1.25541e+02 201.537 -2.14471e+01 -8.46412e+00 0.00000e+00 0.00000e+00 1.78957e+02 201.537 5.34157e+01 201.537 0.9781 
1 1 1 17 6  4  f 0  8.84678e+01 3.02595e+01 4.21363e+01 315.137 9.58499e-01  -9.53913e-01 0.00000e+00 0.00000e+00 9.87982e+00 135.137 5.20162e+01 135.137 0.5574 
1 1 1 17 6  5  o 13 2.08646e+02 2.16017e+01 6.41511e+01 7.375   5.41261e+00  7.00529e-01  0.00000e+00 0.00000e+00 5.93659e+01 7.375   4.78521e+00 187.375 0.9030 
1 1 1 17 6  6  o 3  1.39072e+02 2.77260e+01 5.05300e+01 327.168 2.30237e+00  -1.48558e+00 0.00000e+00 0.00000e+00 2.15829e+01 327.168 2.89471e+01 147.168 0.7888 
1 1 1 17 6  7  o 5  9.57582e+01 3.15713e+01 3.56761e+01 16.245  1.33879e+00  3.90101e-01  0.00000e+00 0.00000e+00 2.56798e-01 16.245  3.54193e+01 196.245 0.5689 
1 1 1 17 6  8  o 6  1.61191e+02 2.35565e+01 4.92635e+01 135.888 -2.83904e+00 2.75236e+00  0.00000e+00 0.00000e+00 4.26982e+01 135.888 6.56523e+00 315.888 0.8617 
1 1 1 17 6  9  o 10 7.99200e+01 3.11886e+01 1.03374e+01 356.826 3.81498e-01  -2.11555e-02 0.00000e+00 0.00000e+00 3.66562e-01 176.826 1.07039e+01 176.826 0.1876 
1 1 1 17 6  10 o 10 9.29243e+01 3.33332e+01 3.01059e+01 358.553 1.37016e+00  -3.46172e-02 0.00000e+00 0.00000e+00 4.81374e+00 358.553 2.52922e+01 178.553 0.5625 
1 1 1 17 6  11 o 14 1.16187e+02 3.35057e+01 3.46246e+01 300.846 1.22478e+00  -2.05084e+00 0.00000e+00 0.00000e+00 2.40837e+01 300.846 1.05409e+01 120.846 0.7523 
1 1 1 17 6  12 o 1  8.29997e+01 3.14016e+01 2.75600e+01 95.928  -1.56697e-01 1.50918e+00  0.00000e+00 0.00000e+00 6.10325e+00 95.928  2.14567e+01 275.928 0.6004 
1 1 1 17 6  13 o 8  2.42891e+02 2.00572e+01 5.71421e+01 161.407 -9.56005e+00 3.21610e+00  0.00000e+00 0.00000e+00 9.95668e+01 161.407 4.24247e+01 161.407 0.9491 
1 1 1 17 6  14 f 0  1.78741e+02 2.38067e+01 6.95430e+01 235.746 -5.15423e+00 -7.56880e+00 0.00000e+00 0.00000e+00 4.59108e+01 235.746 2.36322e+01 55.746  0.9437 
1 1 1 17 6  15 o 1  2.01307e+02 1.96690e+01 5.56190e+01 324.417 7.64248e+00  -5.46798e+00 0.00000e+00 0.00000e+00 7.55718e+01 324.417 1.99528e+01 324.417 0.9452 
1 1 1 17 6  16 o 6  1.89206e+02 1.97392e+01 7.98476e+01 24.105  1.21566e+01  5.43907e+00  0.00000e+00 0.00000e+00 4.65938e+01 24.105  3.32538e+01 204.104 0.9617 
1 1 1 17 6  17 o 3  1.61625e+02 2.56354e+01 3.05571e+01 153.573 -4.80258e+00 2.38688e+00  0.00000e+00 0.00000e+00 7.15013e+01 153.573 4.09442e+01 153.573 0.9012 
1 1 1 17 6  18 o 6  5.67714e+01 2.52287e+01 2.50369e+01 223.838 -1.06388e+00 -1.02159e+00 0.00000e+00 0.00000e+00 1.36353e+00 43.838  2.64004e+01 43.838  0.5899 
1 1 1 17 6  19 o 4  8.46764e+01 3.01330e+01 1.89679e+01 153.346 -1.67823e+00 8.42373e-01  0.00000e+00 0.00000e+00 2.19151e+01 153.346 2.94719e+00 153.346 0.6766 
1 1 1 17 6  20 o 10 7.15106e+01 2.90084e+01 1.00953e+01 74.188  2.73562e-01  9.66008e-01  0.00000e+00 0.00000e+00 1.29801e+01 74.188  2.88478e+00 74.188  0.4478 
1 1 1 17 6  21 o 6  5.61525e+01 2.53441e+01 2.54940e+01 26.942  2.01743e+00  1.02535e+00  0.00000e+00 0.00000e+00 4.61962e+00 26.942  2.08744e+01 206.942 0.7366 
1 1 1 17 6  22 o 8  6.11592e+01 2.65462e+01 2.04153e+00 321.639 1.71206e-01  -1.35509e-01 0.00000e+00 0.00000e+00 2.84373e+00 321.639 8.02205e-01 321.639 0.1085 
1 1 1 17 7  0  o 18 5.91033e+01 3.68897e+01 1.97760e+01 90.000  1.33960e-17  2.18773e-01  0.00000e+00 0.00000e+00 1.14268e+01 270.000 3.12028e+01 270.000 0.2153 
1 1 1 17 7  2  o 19 1.29110e+02 3.10378e+01 7.02415e+01 19.374  3.08927e+00  1.08632e+00  0.00000e+00 0.00000e+00 9.64367e-03 199.374 7.02511e+01 199.374 0.8284 
1 1 1 17 7  3  o 18 2.95591e+02 2.03164e+01 8.88692e+01 159.873 -1.01636e+01 3.72482e+00  0.00000e+00 0.00000e+00 9.62673e+01 159.873 7.39804e+00 159.873 0.9526 
1 1 1 17 7  4  o 8  1.32203e+02 2.92668e+01 5.61672e+01 232.778 -1.74023e+00 -2.29081e+00 0.00000e+00 0.00000e+00 1.35308e+01 232.778 4.26364e+01 52.778  0.8005 
1 1 1 17 7  5  f 0  1.72253e+02 2.48683e+01 7.86972e+01 230.137 -3.45710e+00 -4.14004e+00 0.00000e+00 0.00000e+00 2.38433e+01 230.137 5.48539e+01 50.137  0.9018 
1 1 1 17 7  6  o 5  2.43112e+02 2.14496e+01 6.80711e+01 145.675 -6.02393e+00 4.11310e+00  0.00000e+00 0.00000e+00 8.13827e+01 145.675 1.33117e+01 145.675 0.9287 
1 1 1 17 7  7  o 19 2.22471e+02 2.29969e+01 4.97192e+01 20.941  5.17982e+00  1.98225e+00  0.00000e+00 0.00000e+00 8.39480e+01 20.941  3.42289e+01 20.941  0.9047 
1 1 1 17 7  8  o 1  2.64139e+02 2.27140e+01 7.06432e+01 327.065 7.81724e+00  -5.06399e+00 0.00000e+00 0.00000e+00 9.57069e+01 327.065 2.50637e+01 327.065 0.9447 
1 1 1 17 7  9  o 17 1.42863e+02 3.19422e+01 5.45671e+01 111.974 -1.45613e+00 3.60869e+00  0.00000e+00 0.00000e+00 2.76164e+01 111.974 2.69507e+01 291.974 0.8592 
1 1 1 17 7  10 o 4  6.66402e+01 2.91500e+01 1.25980e+01 343.406 4.37527e-01  -1.30386e-01 0.00000e+00 0.00000e+00 2.62200e+00 163.406 1.52200e+01 163.406 0.2225 
1 1 1 17 7  11 o 14 1.82649e+02 2.47008e+01 6.15209e+01 267.699 -2.97293e-01 -7.39823e+00 0.00000e+00 0.00000e+00 5.33329e+01 267.699 8.18797e+00 87.699  0.9298 
1 1 1 17 7  12 o 15 5.07305e+01 2.40522e+01 4.96068e+01 168.566 -1.79419e+00 3.62882e-01  0.00000e+00 0.00000e+00 2.65588e+01 348.566 7.61656e+01 348.566 0.6679 
1 1 1 17 7  13 o 13 9.15084e+01 3.57640e+01 3.58994e+01 101.288 -4.03847e-01 2.02330e+00  0.00000e+00 0.00000e+00 8.44363e+00 101.288 2.74557e+01 281.288 0.7079 
1 1 1 17 7  14 f 0  2.38348e+02 2.05982e+01 4.52676e+01 22.588  8.03767e+00  3.34384e+00  0.00000e+00 0.00000e+00 1.09262e+02 22.588  6.39940e+01 22.588  0.9407 
1 1 1 17 7  15 f 0  7.81741e+01 3.06763e+01 1.44149e+01 234.839 -4.92771e-01 -6.99568e-01 0.00000e+00 0.00000e+00 6.91140e+00 234.839 7.50353e+00 54.839  0.3929 
1 1 1 17 7  16 o 6  1.68518e+02 2.23727e+01 3.85865e+01 229.353 -4.17549e+00 -4.86354e+00 0.00000e+00 0.00000e+00 6.96955e+01 229.353 3.11090e+01 229.353 0.9183 
1 1 1 17 7  17 o 13 9.97385e+01 3.02614e+01 2.50005e+01 334.058 2.14596e+00  -1.04395e+00 0.00000e+00 0.00000e+00 2.79239e+01 334.058 2.92337e+00 334.058 0.7521 
1 1 1 17 7  18 o 3  1.27845e+02 2.75139e+01 4.16504e+01 54.423  3.37320e+00  4.71559e+00  0.00000e+00 0.00000e+00 4.10813e+01 54.423  5.69096e-01 234.423 0.9091 
1 1 1 17 7  19 o 6  6.73866e+01 2.80493e+01 1.50707e+01 160.013 -1.14217e+00 4.15433e-01  0.00000e+00 0.00000e+00 9.98628e+00 160.013 5.08439e+00 340.013 0.5175 
1 1 1 17 7  20 o 5  7.26380e+01 2.97620e+01 1.08017e+01 164.756 -1.01513e+00 2.76643e-01  0.00000e+00 0.00000e+00 1.36838e+01 164.756 2.88209e+00 164.756 0.4646 
1 1 1 17 7  21 o 2  5.76703e+01 2.57109e+01 1.67050e+01 340.753 1.49756e+00  -5.22874e-01 0.00000e+00 0.00000e+00 9.37092e+00 340.753 7.33411e+00 160.753 0.6167 
1 1 1 17 7  22 o 1  6.69371e+01 2.77885e+01 2.00888e+01 324.264 1.82963e+00  -1.31645e+00 0.00000e+00 0.00000e+00 1.63930e+01 324.264 3.69580e+00 144.264 0.7354 
1 1 1 17 8  0  o 3  8.82989e+01 4.55858e+01 8.57529e+00 270.000 -8.79561e-18 -1.43643e-01 0.00000e+00 0.00000e+00 2.45509e-01 90.000  8.82080e+00 90.000  0.1427 
1 1 1 17 8  1  o 14 2.08342e+02 2.32103e+01 8.31500e+01 206.458 -6.27542e+00 -3.12311e+00 0.00000e+00 0.00000e+00 4.44038e+01 206.458 3.87462e+01 26.458  0.9256 
1 1 1 17 8  2  o 13 1.71880e+02 2.63743e+01 5.15317e+01 152.689 -3.11455e+00 1.60829e+00  0.00000e+00 0.00000e+00 4.41921e+01 152.689 7.33962e+00 332.689 0.8414 
1 1 1 17 8  4  o 1  1.10260e+02 3.14465e+01 4.39109e+01 317.349 1.46281e+00  -1.34754e+00 0.00000e+00 0.00000e+00 7.03515e+00 317.349 3.68757e+01 137.349 0.6959 
1 1 1 17 8  5  o 7  2.41115e+02 2.15367e+01 3.16969e+01 94.246  -2.49346e-01 3.35839e+00  0.00000e+00 0.00000e+00 1.02095e+02 94.246  7.03982e+01 94.246  0.8339 
1 1 1 17 8  6  o 6  2.94494e+02 2.12041e+01 5.06626e+01 29.372  6.61419e+00  3.72265e+00  0.00000e+00 0.00000e+00 1.32402e+02 29.372  8.17395e+01 29.372  0.9316 
1 1 1 17 8  7  o 1  2.08406e+02 2.51159e+01 2.70309e+01 124.964 -1.58419e+00 2.26552e+00  0.00000e+00 0.00000e+00 8.33228e+01 124.964 5.62919e+01 124.964 0.7909 
1 1 1 17 8  8  o 5  9.22029e+01 3.16629e+01 1.91421e+01 260.551 -1.45404e-01 -8.73661e-01 0.00000e+00 0.00000e+00 5.91625e+00 260.551 1.32258e+01 80.551  0.4044 
1 1 1 17 8  9  o 10 1.57019e+02 3.17609e+01 4.45742e+01 255.980 -8.98714e-01 -3.59918e+00 0.00000e+00 0.00000e+00 4.56447e+01 255.980 1.07049e+00 255.980 0.8514 
1 1 1 17 8  10 o 17 8.61439e+01 3.25592e+01 7.23312e+00 204.597 -3.40486e-01 -1.55864e-01 0.00000e+00 0.00000e+00 3.51718e+00 204.597 3.71594e+00 24.597  0.1840 
1 1 1 17 8  11 o 9  5.56854e+01 2.57513e+01 9.60274e+00 219.127 -2.96922e-01 -2.41534e-01 0.00000e+00 0.00000e+00 2.46738e+00 39.127  1.20701e+01 39.127  0.1880 
1 1 1 17 8  12 o 17 7.86380e+01 3.08732e+01 2.05866e+01 67.221  4.01472e-01  9.56063e-01  0.00000e+00 0.00000e+00 4.18121e+00 67.221  1.64054e+01 247.221 0.4593 
1 1 1 17 8  13 o 6  8.26055e+01 3.41233e+01 1.40862e+01 91.409  -1.92358e-02 7.82300e-01  0.00000e+00 0.00000e+00 6.66696e+00 91.409  7.41927e+00 271.409 0.3641 
1 1 1 17 8  14 o 6  9.39894e+01 3.23677e+01 1.42870e+01 14.788  9.16829e-01  2.42036e-01  0.00000e+00 0.00000e+00 1.36447e+01 14.788  6.42323e-01 194.788 0.4277 
1 1 1 17 8  15 o 5  1.12415e+02 3.23347e+01 2.38975e+01 313.655 1.54778e+00  -1.62219e+00 0.00000e+00 0.00000e+00 3.38326e+01 313.655 9.93511e+00 313.655 0.7338 
1 1 1 17 8  16 o 1  5.46042e+01 2.50523e+01 5.49147e+00 25.201  2.99087e-01  1.40743e-01  0.00000e+00 0.00000e+00 7.88641e-01 25.201  4.70283e+00 205.201 0.1631 
1 1 1 17 8  17 f 0  1.12225e+02 2.90126e+01 9.03874e+00 221.037 -7.41106e-01 -6.45079e-01 0.00000e+00 0.00000e+00 2.60947e+01 221.037 1.70560e+01 221.037 0.4402 
1 1 1 17 8  18 o 11 1.31467e+02 2.69517e+01 1.28865e+01 227.600 -1.45034e+00 -1.58833e+00 0.00000e+00 0.00000e+00 5.51336e+01 227.600 4.22471e+01 227.600 0.7211 
1 1 1 17 8  19 o 5  7.81028e+01 2.97775e+01 2.09333e+01 61.403  8.94586e-01  1.64097e+00  0.00000e+00 0.00000e+00 1.72521e+01 61.403  3.68123e+00 241.403 0.6750 
1 1 1 17 8  20 o 17 7.40668e+01 2.94920e+01 2.46721e+01 32.151  2.08259e+00  1.30901e+00  0.00000e+00 0.00000e+00 1.65307e+01 32.151  8.14137e+00 212.151 0.7606 
1 1 1 17 8  21 o 4  3.81123e+01 1.89107e+01 1.71046e+01 221.638 -1.10300e+00 -9.80596e-01 0.00000e+00 0.00000e+00 4.83515e-01 41.638  1.75882e+01 41.638  0.5901 
1 1 1 17 9  0  o 14 3.02916e+02 3.03710e+01 6.62273e+01 90.000  2.72389e-16  4.44845e+00  0.00000e+00 0.00000e+00 1.35844e+02 90.000  6.96169e+01 90.000  0.9997 
1 1 1 17 9  1  o 6  1.41735e+02 2.93583e+01 4.84070e+01 42.276  2.12437e+00  1.93144e+00  0.00000e+00 0.00000e+00 2.72711e+01 42.276  2.11359e+01 222.276 0.8000 
1 1 1 17 9  2  o 19 1.24014e+02 3.11771e+01 4.65392e+01 229.426 -1.54510e+00 -1.80433e+00 0.00000e+00 0.00000e+00 1.56481e+01 229.426 3.08911e+01 49.426  0.7507 
1 1 1 17 9  3  o 4  1.35647e+02 3.13170e+01 6.70502e+01 234.673 -2.15729e+00 -3.04376e+00 0.00000e+00 0.00000e+00 1.02702e+01 234.673 5.67800e+01 54.673  0.8523 
1 1 1 17 9  4  o 17 6.98967e+01 2.93678e+01 4.59921e+00 225.141 -1.08140e-01 -1.08674e-01 0.00000e+00 0.00000e+00 1.02004e+00 45.141  5.61925e+00 45.141  0.0764 
1 1 1 17 9  5  o 18 1.83345e+02 2.53115e+01 5.36736e+01 169.544 -4.76588e+00 8.79524e-01  0.00000e+00 0.00000e+00 5.58608e+01 169.544 2.18720e+00 169.544 0.8897 
1 1 1 17 9  6  o 10 1.24641e+02 3.23642e+01 5.04664e+01 295.546 1.35931e+00  -2.84395e+00 0.00000e+00 0.00000e+00 1.84072e+01 295.546 3.20592e+01 115.546 0.8206 
1 1 1 17 9  7  o 17 1.74766e+02 2.43073e+01 5.87338e+01 336.243 5.07273e+00  -2.23279e+00 0.00000e+00 0.00000e+00 4.80694e+01 336.243 1.06644e+01 156.243 0.9046 
1 1 1 17 9  9  o 13 1.44074e+02 3.22148e+01 6.44248e+01 165.822 -5.44470e+00 1.37553e+00  0.00000e+00 0.00000e+00 2.44665e+01 165.822 3.99584e+01 345.822 0.9059 
1 1 1 17 9  10 o 7  8.45399e+01 3.29221e+01 4.63161e+00 60.632  1.24985e-01  2.22105e-01  0.00000e+00 0.00000e+00 2.68110e+00 60.632  1.95051e+00 240.632 0.1264 
1 1 1 17 9  11 o 14 1.19386e+02 3.07313e+01 3.72664e+01 92.885  -1.44235e-01 2.86204e+00  0.00000e+00 0.00000e+00 2.84010e+01 92.885  8.86541e+00 272.885 0.7995 
1 1 1 17 9  12 o 5  5.82203e+01 2.65593e+01 1.57536e+01 272.895 3.32158e-02  -6.56727e-01 0.00000e+00 0.00000e+00 3.17637e+00 92.895  1.89300e+01 92.895  0.3122 
1 1 1 17 9  13 f 0  2.07165e+02 3.00880e+01 7.34679e+01 304.840 6.39233e+00  -9.18378e+00 0.00000e+00 0.00000e+00 6.41804e+01 304.840 9.28752e+00 124.840 0.9542 
1 1 1 17 9  14 o 13 1.00022e+02 3.76461e+01 3.90927e+01 177.286 -2.63524e+00 1.24918e-01  0.00000e+00 0.00000e+00 1.55495e+01 177.286 2.35433e+01 357.286 0.7792 
1 1 1 17 9  15 o 19 6.43632e+01 2.87073e+01 1.58539e+01 178.825 -1.05025e+00 2.15335e-02  0.00000e+00 0.00000e+00 5.23670e+00 178.825 1.06172e+01 358.825 0.4640 
1 1 1 17 9  16 o 5  2.22059e+02 1.89906e+01 4.99944e+01 16.928  1.25619e+01  3.82331e+00  0.00000e+00 0.00000e+00 1.01917e+02 16.928  5.19229e+01 16.928  0.9611 
1 1 1 17 9  17 o 12 8.61671e+01 3.00743e+01 2.75531e+01 47.603  1.65220e+00  1.80958e+00  0.00000e+00 0.00000e+00 1.94164e+01 47.603  8.13678e+00 227.603 0.7595 
1 1 1 17 9  18 o 6  9.45123e+01 3.06478e+01 2.81164e+01 206.116 -2.68484e+00 -1.31621e+00 0.00000e+00 0.00000e+00 2.72642e+01 206.116 8.52208e-01 26.116  0.8093 
1 1 1 17 9  19 o 14 6.61660e+01 2.76337e+01 2.54862e+01 239.181 -1.24874e+00 -2.09316e+00 0.00000e+00 0.00000e+00 1.11699e+01 239.181 1.43163e+01 59.181  0.7580 
1 1 1 17 9  20 o 5  6.55021e+01 2.75653e+01 8.62852e+00 347.673 8.16858e-01  -1.78502e-01 0.00000e+00 0.00000e+00 1.00009e+01 347.673 1.37241e+00 347.673 0.3853 
1 1 1 17 9  21 o 6  6.06407e+01 2.66367e+01 1.89240e+01 57.665  1.07285e+00  1.69476e+00  0.00000e+00 0.00000e+00 1.26747e+01 57.665  6.24934e+00 237.665 0.6987 
1 1 1 17 10 0  o 10 1.80318e+02 4.11181e+01 2.58915e+00 270.000 -6.84102e-18 -1.11722e-01 0.00000e+00 0.00000e+00 1.09340e+01 270.000 8.34489e+00 270.000 0.1113 
1 1 1 17 10 1  o 4  8.16069e+01 3.13157e+01 4.17806e+01 51.510  9.93481e-01  1.24945e+00  0.00000e+00 0.00000e+00 7.71921e+00 231.510 4.94998e+01 231.510 0.6190 
1 1 1 17 10 2  o 4  1.58225e+02 2.83304e+01 3.03625e+01 310.880 1.51262e+00  -1.74747e+00 0.00000e+00 0.00000e+00 4.89402e+01 310.880 1.85777e+01 310.880 0.7428 
1 1 1 17 10 3  o 7  1.22306e+02 3.28943e+01 4.65757e+01 175.104 -2.84202e+00 2.43427e-01  0.00000e+00 0.00000e+00 1.94002e+01 175.104 2.71756e+01 355.104 0.7985 
1 1 1 17 10 4  o 1  1.32377e+02 2.68715e+01 3.99153e+01 92.107  -1.03289e-01 2.80706e+00  0.00000e+00 0.00000e+00 3.12925e+01 92.107  8.62272e+00 272.107 0.7948 
1 1 1 17 10 5  o 16 1.80990e+02 2.69567e+01 3.72784e+01 40.324  2.72199e+00  2.31034e+00  0.00000e+00 0.00000e+00 6.64250e+01 40.324  2.91467e+01 40.324  0.8447 
1 1 1 17 10 6  o 10 8.32083e+01 3.23401e+01 1.90058e+01 108.154 -2.61231e-01 7.96693e-01  0.00000e+00 0.00000e+00 2.85442e+00 108.154 1.61514e+01 288.154 0.3862 
1 1 1 17 10 7  o 4  2.47735e+02 2.01915e+01 4.33948e+01 267.861 -2.81208e-01 -7.52804e+00 0.00000e+00 0.00000e+00 1.14013e+02 267.861 7.06177e+01 267.861 0.9310 
1 1 1 17 10 8  o 17 1.23164e+02 3.37061e+01 2.52112e+01 296.954 8.35164e-01  -1.64237e+00 0.00000e+00 0.00000e+00 3.13297e+01 296.954 6.11853e+00 296.954 0.6701 
1 1 1 17 10 9  o 7  1.03347e+02 3.43839e+01 8.88688e+00 246.989 -2.28940e-01 -5.39053e-01 0.00000e+00 0.00000e+00 1.10887e+01 246.989 2.20181e+00 246.989 0.2810 
1 1 1 17 10 10 o 4  2.30424e+02 2.08421e+01 6.00741e+01 43.872  7.26996e+00  6.98920e+00  0.00000e+00 0.00000e+00 9.10964e+01 43.872  3.10223e+01 43.872  0.9490 
1 1 1 17 10 11 o 8  1.08691e+02 3.22785e+01 3.09956e+01 102.422 -4.80900e-01 2.18317e+00  0.00000e+00 0.00000e+00 2.43636e+01 102.422 6.63197e+00 282.422 0.7329 
1 1 1 17 10 12 o 18 1.31375e+02 2.94150e+01 3.43321e+01 169.542 -3.20286e+00 5.91187e-01  0.00000e+00 0.00000e+00 4.16408e+01 169.542 7.30868e+00 169.542 0.8273 
1 1 1 17 10 13 o 9  7.92025e+01 3.13888e+01 3.85344e+01 308.497 1.43324e+00  -1.80201e+00 0.00000e+00 0.00000e+00 2.78670e+00 308.497 3.57477e+01 128.497 0.7417 
1 1 1 17 10 14 f 0  9.57196e+01 3.68869e+01 4.27513e+01 282.652 6.83956e-01  -3.04688e+00 0.00000e+00 0.00000e+00 1.27461e+01 282.652 3.00052e+01 102.652 0.8187 
1 1 1 17 10 15 o 16 6.76417e+01 2.94303e+01 1.28188e+01 186.596 -8.43895e-01 -9.75891e-02 0.00000e+00 0.00000e+00 6.02746e+00 186.596 6.79133e+00 6.596   0.3905 
1 1 1 17 10 16 o 3  1.00633e+02 3.32818e+01 5.59702e+00 145.095 -4.09922e-01 2.86014e-01  0.00000e+00 0.00000e+00 1.19441e+01 145.095 6.34710e+00 145.095 0.2424 
1 1 1 17 10 17 o 2  7.12000e+01 2.89060e+01 1.56138e+01 126.243 -7.95354e-01 1.08499e+00  0.00000e+00 0.00000e+00 1.30618e+01 126.243 2.55194e+00 306.243 0.5555 
1 1 1 17 10 18 o 11 7.15741e+01 2.87340e+01 1.46668e+01 58.382  7.73867e-01  1.25703e+00  0.00000e+00 0.00000e+00 1.62309e+01 58.382  1.56409e+00 58.382  0.5902 
1 1 1 17 10 19 o 15 9.49317e+01 3.06064e+01 9.17836e+00 343.155 1.13036e+00  -3.42235e-01 0.00000e+00 0.00000e+00 2.63475e+01 343.155 1.71691e+01 343.155 0.5069 
1 1 1 17 10 20 o 1  6.93273e+01 2.85829e+01 8.18722e+00 242.894 -4.22945e-01 -8.26283e-01 0.00000e+00 0.00000e+00 1.35428e+01 242.894 5.35555e+00 242.894 0.4204 
1 1 1 17 11 0  o 17 1.42457e+02 4.66217e+01 2.79203e+00 270.000 -6.07417e-18 -9.91987e-02 0.00000e+00 0.00000e+00 6.80929e+00 270.000 4.01725e+00 270.000 0.0989 
1 1 1 17 11 1  o 12 2.96326e+02 2.10668e+01 7.09266e+01 264.543 -1.11886e+00 -1.17119e+01 0.00000e+00 0.00000e+00 1.22329e+02 264.543 5.14027e+01 264.543 0.9565 
1 1 1 17 11 2  o 19 6.17978e+01 2.73351e+01 3.51203e+01 192.672 -1.19468e+00 -2.68616e-01 0.00000e+00 0.00000e+00 1.31804e+01 12.672  4.83007e+01 12.672  0.5203 
1 1 1 17 11 3  o 18 9.27988e+01 3.29020e+01 2.72437e+01 89.708  6.82149e-03  1.33719e+00  0.00000e+00 0.00000e+00 7.83192e+00 89.708  1.94118e+01 269.708 0.5532 
1 1 1 17 11 4  o 9  1.13690e+02 2.98706e+01 4.46761e+01 308.172 1.71456e+00  -2.18105e+00 0.00000e+00 0.00000e+00 1.69346e+01 308.172 2.77415e+01 128.172 0.7918 
1 1 1 17 11 5  o 13 1.91302e+02 2.68217e+01 5.68998e+01 243.178 -3.21389e+00 -6.35631e+00 0.00000e+00 0.00000e+00 6.47311e+01 243.178 7.83132e+00 243.178 0.9269 
1 1 1 17 11 6  o 14 1.04081e+02 3.38934e+01 2.70248e+01 11.557  1.63781e+00  3.34905e-01  0.00000e+00 0.00000e+00 1.84948e+01 11.557  8.53000e+00 191.557 0.6358 
1 1 1 17 11 7  o 14 1.26505e+02 2.99617e+01 4.95302e+01 356.981 4.28069e+00  -2.25737e-01 0.00000e+00 0.00000e+00 2.67483e+01 356.981 2.27819e+01 176.981 0.8737 
1 1 1 17 11 9  o 14 6.66529e+01 2.88225e+01 3.35962e+01 54.549  8.61417e-01  1.20986e+00  0.00000e+00 0.00000e+00 6.12310e+00 234.549 3.97193e+01 234.549 0.5925 
1 1 1 17 11 10 o 8  6.41544e+01 2.77723e+01 2.36773e+01 352.601 1.06822e+00  -1.38717e-01 0.00000e+00 0.00000e+00 2.46091e+00 172.601 2.61382e+01 172.601 0.4731 
1 1 1 17 11 11 o 3  1.92235e+02 2.31486e+01 7.58504e+01 235.412 -6.77087e+00 -9.81925e+00 0.00000e+00 0.00000e+00 5.34536e+01 235.412 2.23968e+01 55.412  0.9571 
1 1 1 17 11 12 o 2  5.69494e+01 2.58392e+01 1.60581e+01 280.799 1.41643e-01  -7.42561e-01 0.00000e+00 0.00000e+00 1.83520e+00 100.799 1.78933e+01 100.799 0.3533 
1 1 1 17 11 13 o 10 2.83456e+02 1.95333e+01 5.89332e+01 101.877 -3.58380e+00 1.70404e+01  0.00000e+00 0.00000e+00 1.36820e+02 101.877 7.78872e+01 101.877 0.9708 
1 1 1 17 11 14 o 7  6.44864e+01 2.99634e+01 2.63037e+01 106.523 -4.82830e-01 1.62756e+00  0.00000e+00 0.00000e+00 3.31614e+00 106.523 2.29876e+01 286.523 0.6413 
1 1 1 17 11 15 o 13 1.65825e+02 3.55029e+01 4.33178e+01 312.987 4.15743e+00  -4.46035e+00 0.00000e+00 0.00000e+00 6.60093e+01 312.987 2.26915e+01 312.987 0.9138 
1 1 1 17 11 16 o 12 6.54227e+01 2.87624e+01 5.82051e+00 86.648  2.36526e-02  4.03803e-01  0.00000e+00 0.00000e+00 3.60875e+00 86.648  2.21176e+00 266.648 0.1982 
1 1 1 17 11 17 o 7  5.55285e+01 2.52961e+01 2.37336e+01 180.726 -1.69018e+00 -2.14108e-02 0.00000e+00 0.00000e+00 2.31369e+00 180.726 2.14199e+01 0.726   0.6398 
1 1 1 17 11 18 o 15 7.53459e+01 2.92915e+01 2.22485e+00 280.649 4.21383e-02  -2.24106e-01 0.00000e+00 0.00000e+00 4.08860e+00 280.649 1.86375e+00 280.649 0.1133 
1 1 1 17 11 19 o 4  7.30984e+01 2.90919e+01 1.82496e+01 20.659  1.84945e+00  6.97344e-01  0.00000e+00 0.00000e+00 1.96204e+01 20.659  1.37081e+00 20.659  0.6939 
1 1 1 17 11 20 o 16 5.91867e+01 2.63448e+01 9.15578e+00 62.649  4.39399e-01  8.49456e-01  0.00000e+00 0.00000e+00 1.00657e+01 62.649  9.09933e-01 62.649  0.4307 
1 1 1 17 12 0  o 8  6.93285e+01 4.09434e+01 1.46195e+01 90.000  1.98360e-17  3.23946e-01  0.00000e+00 0.00000e+00 3.58122e-01 90.000  1.42614e+01 270.000 0.3131 
1 1 1 17 12 1  o 4  7.47442e+01 2.99531e+01 1.83316e+01 176.635 -8.62783e-01 5.07273e-02  0.00000e+00 0.00000e+00 2.11090e+00 176.635 1.62207e+01 356.635 0.3962 
1 1 1 17 12 2  o 13 8.66457e+01 3.16997e+01 1.15850e+00 81.478  9.15729e-03  6.11119e-02  0.00000e+00 0.00000e+00 6.89852e-01 81.478  4.68649e-01 261.478 0.0309 
1 1 1 17 12 3  o 18 1.66610e+02 2.78482e+01 3.37183e+01 323.805 2.92829e+00  -2.14275e+00 0.00000e+00 0.00000e+00 6.39465e+01 323.805 3.02282e+01 323.805 0.8475 
1 1 1 17 12 4  o 3  1.22198e+02 3.39925e+01 5.45579e+01 86.459  2.66897e-01  4.31317e+00  0.00000e+00 0.00000e+00 1.95103e+01 86.459  3.50477e+01 266.459 0.8748 
1 1 1 17 12 5  o 13 1.09833e+02 2.94583e+01 1.98657e+01 141.293 -1.17585e+00 9.42276e-01  0.00000e+00 0.00000e+00 2.57302e+01 141.293 5.86457e+00 141.293 0.5978 
1 1 1 17 12 6  o 1  3.14943e+02 2.15445e+01 9.24617e+01 257.026 -4.79061e+00 -2.07935e+01 0.00000e+00 0.00000e+00 1.21649e+02 257.026 2.91872e+01 257.026 0.9763 
1 1 1 17 12 7  o 15 1.72194e+02 2.94406e+01 4.46171e+01 140.802 -3.93746e+00 3.21104e+00  0.00000e+00 0.00000e+00 6.30801e+01 140.802 1.84631e+01 140.802 0.8952 
1 1 1 17 12 9  o 5  1.16035e+02 3.27055e+01 3.74335e+01 293.539 1.20241e+00  -2.76020e+00 0.00000e+00 0.00000e+00 2.88264e+01 293.539 8.60718e+00 113.539 0.8108 
1 1 1 17 12 10 o 18 1.02319e+02 3.07992e+01 3.13273e+01 179.333 -2.34609e+00 2.73271e-02  0.00000e+00 0.00000e+00 2.27764e+01 179.333 8.55088e+00 359.333 0.7472 
1 1 1 17 12 11 o 2  9.50512e+01 3.13264e+01 1.55688e+01 155.991 -1.02515e+00 4.56623e-01  0.00000e+00 0.00000e+00 1.74337e+01 155.991 1.86488e+00 155.991 0.4880 
1 1 1 17 12 12 o 5  9.93233e+01 3.12316e+01 2.68031e+01 345.248 2.20327e+00  -5.80133e-01 0.00000e+00 0.00000e+00 2.56908e+01 345.248 1.11230e+00 165.248 0.7386 
1 1 1 17 12 13 o 16 1.07206e+02 3.20752e+01 1.57901e+01 308.119 1.00072e+00  -1.27539e+00 0.00000e+00 0.00000e+00 3.24356e+01 308.119 1.66455e+01 308.119 0.6247 
1 1 1 17 12 14 o 4  6.70857e+01 3.04977e+01 1.44447e+01 235.457 -5.20350e-01 -7.55890e-01 0.00000e+00 0.00000e+00 5.81152e+00 235.457 8.63321e+00 55.457  0.4165 
1 1 1 17 12 15 o 10 1.22369e+02 3.80594e+01 1.91558e+01 39.692  1.54805e+00  1.28484e+00  0.00000e+00 0.00000e+00 4.33782e+01 39.692  2.42224e+01 39.692  0.6997 
1 1 1 17 12 16 o 17 4.68604e+01 2.27815e+01 2.87861e+01 73.473  5.24188e-01  1.76652e+00  0.00000e+00 0.00000e+00 5.67000e+00 253.473 3.44561e+01 253.473 0.6702 
1 1 1 17 12 17 o 11 7.60696e+01 2.95475e+01 2.76919e+01 306.593 1.70037e+00  -2.29010e+00 0.00000e+00 0.00000e+00 1.73895e+01 306.593 1.03024e+01 126.593 0.7984 
1 1 1 17 12 18 f 0  5.94545e+01 2.62643e+01 1.15247e+01 251.399 -3.37569e-01 -1.00300e+00 0.00000e+00 0.00000e+00 9.25121e+00 251.399 2.27352e+00 71.399  0.4667 
1 1 1 17 12 19 o 16 6.47253e+01 2.76668e+01 1.77682e+01 110.764 -6.86616e-01 1.81096e+00  0.00000e+00 0.00000e+00 1.58462e+01 110.764 1.92195e+00 290.764 0.6871 
1 1 1 17 13 0  o 3  4.55963e+01 3.12889e+01 2.82095e+01 270.000 -2.99992e-17 -4.89924e-01 0.00000e+00 0.00000e+00 1.37280e+01 90.000  4.19375e+01 90.000  0.4542 
1 1 1 17 13 1  o 16 1.16707e+02 3.14466e+01 9.51050e+00 308.329 4.62646e-01  -5.85206e-01 0.00000e+00 0.00000e+00 1.90009e+01 308.329 9.49037e+00 308.329 0.3492 
1 1 1 17 13 2  o 11 8.55976e+01 3.22811e+01 2.11025e+01 223.311 -8.71498e-01 -8.21588e-01 0.00000e+00 0.00000e+00 9.58138e+00 223.311 1.15211e+01 43.311  0.5121 
1 1 1 17 13 3  o 18 1.00700e+02 3.28490e+01 1.48197e+01 314.123 6.59735e-01  -6.80237e-01 0.00000e+00 0.00000e+00 1.53553e+01 314.123 5.35544e-01 314.123 0.4275 
1 1 1 17 13 4  o 16 7.19652e+01 3.05097e+01 1.78603e+01 234.988 -4.82998e-01 -6.89479e-01 0.00000e+00 0.00000e+00 1.72284e+00 234.988 1.61375e+01 54.988  0.3876 
1 1 1 17 13 5  o 4  9.06946e+01 3.04358e+01 3.31275e+01 16.149  1.88591e+00  5.46072e-01  0.00000e+00 0.00000e+00 1.10188e+01 16.149  2.21087e+01 196.149 0.6917 
1 1 1 17 13 6  o 8  1.69472e+02 2.45655e+01 7.67352e+01 8.945   9.61175e+00  1.51286e+00  0.00000e+00 0.00000e+00 3.65379e+01 8.945   4.01973e+01 188.945 0.9471 
1 1 1 17 13 7  o 13 1.15591e+02 3.33904e+01 6.48779e+01 204.091 -4.71170e+00 -2.10679e+00 0.00000e+00 0.00000e+00 8.53233e+00 204.091 5.63456e+01 24.091  0.8970 
1 1 1 17 13 8  o 6  1.44909e+02 3.07061e+01 5.33883e+01 125.551 -3.21451e+00 4.49819e+00  0.00000e+00 0.00000e+00 3.97481e+01 125.551 1.36402e+01 305.550 0.9044 
1 1 1 17 13 9  f 0  9.73350e+01 3.11402e+01 3.14383e+01 18.726  2.10919e+00  7.14998e-01  0.00000e+00 0.00000e+00 1.93991e+01 18.726  1.20391e+01 198.726 0.7318 
1 1 1 17 13 10 o 9  1.03909e+02 3.10440e+01 4.76046e+01 225.683 -2.63415e+00 -2.69768e+00 0.00000e+00 0.00000e+00 1.60424e+01 225.683 3.15621e+01 45.683  0.8541 
1 1 1 17 13 11 o 10 6.93434e+01 2.87042e+01 2.37449e+01 217.024 -1.18096e+00 -8.90693e-01 0.00000e+00 0.00000e+00 5.80007e+00 217.024 1.79448e+01 37.024  0.5909 
1 1 1 17 13 12 o 16 8.25312e+01 3.08028e+01 3.05738e+01 48.775  1.59344e+00  1.81858e+00  0.00000e+00 0.00000e+00 1.46589e+01 48.775  1.59149e+01 228.775 0.7558 
1 1 1 17 13 13 o 10 1.24006e+02 3.02546e+01 8.34923e+00 34.898  8.09625e-01  5.64769e-01  0.00000e+00 0.00000e+00 3.16335e+01 34.898  2.32843e+01 34.898  0.4418 
1 1 1 17 13 14 o 3  1.02780e+02 3.63164e+01 3.49690e+01 298.786 1.54966e+00  -2.82039e+00 0.00000e+00 0.00000e+00 2.73262e+01 298.786 7.64283e+00 118.786 0.8249 
1 1 1 17 13 15 o 9  8.30649e+01 3.45847e+01 2.48169e+01 316.633 1.52906e+00  -1.44428e+00 0.00000e+00 0.00000e+00 1.90821e+01 316.633 5.73483e+00 136.633 0.7140 
1 1 1 17 13 16 o 1  6.50066e+01 2.98876e+01 1.81581e+01 140.958 -1.24419e+00 1.00904e+00  0.00000e+00 0.00000e+00 1.19235e+01 140.958 6.23463e+00 320.958 0.6203 
1 1 1 17 13 17 o 11 7.23316e+01 2.91205e+01 1.73811e+01 123.600 -9.86659e-01 1.48503e+00  0.00000e+00 0.00000e+00 1.84572e+01 123.600 1.07607e+00 123.600 0.6587 
1 1 1 17 13 18 o 18 6.30150e+01 2.71916e+01 1.45918e+01 300.388 7.98362e-01  -1.36141e+00 0.00000e+00 0.00000e+00 1.48117e+01 300.388 2.19882e-01 300.388 0.6149 
1 1 1 17 14 0  o 17 1.29360e+02 4.79143e+01 1.95212e+01 270.000 -5.08200e-17 -8.29953e-01 0.00000e+00 0.00000e+00 4.29278e+01 270.000 2.34065e+01 270.000 0.6805 
1 1 1 17 14 1  o 8  1.38922e+02 2.82032e+01 2.62888e+01 208.124 -2.30591e+00 -1.23248e+00 0.00000e+00 0.00000e+00 5.03029e+01 208.124 2.40141e+01 208.124 0.7769 
1 1 1 17 14 2  o 8  1.26014e+02 3.01742e+01 4.38777e+01 347.334 3.74844e+00  -8.42393e-01 0.00000e+00 0.00000e+00 3.28312e+01 347.334 1.10464e+01 167.334 0.8572 
1 1 1 17 14 3  o 5  6.96368e+01 2.92787e+01 3.31554e+01 148.581 -1.38481e+00 8.45933e-01  0.00000e+00 0.00000e+00 2.20519e+00 328.581 3.53606e+01 328.581 0.6250 
1 1 1 17 14 4  o 1  6.80003e+01 2.93466e+01 3.28999e+01 246.337 -6.61514e-01 -1.50960e+00 0.00000e+00 0.00000e+00 2.35021e+00 66.337  3.52501e+01 66.337  0.6307 
1 1 1 17 14 5  o 12 1.85391e+02 2.19984e+01 4.32592e+01 239.058 -3.36080e+00 -5.60615e+00 0.00000e+00 0.00000e+00 7.85064e+01 239.058 3.52471e+01 239.058 0.9200 
1 1 1 17 14 6  f 0  1.56277e+02 2.26278e+01 7.83668e+01 96.377  -1.13417e+00 1.01481e+01  0.00000e+00 0.00000e+00 2.78890e+01 96.377  5.04778e+01 276.377 0.9497 
1 1 1 17 14 9  o 13 9.05402e+01 3.09739e+01 3.07660e+01 133.397 -1.65601e+00 1.75138e+00  0.00000e+00 0.00000e+00 1.87243e+01 133.397 1.20417e+01 313.397 0.7549 
1 1 1 17 14 10 f 0  1.19736e+02 2.89961e+01 2.34903e+01 44.137  2.08275e+00  2.02093e+00  0.00000e+00 0.00000e+00 4.64195e+01 44.137  2.29292e+01 44.137  0.8025 
1 1 1 17 14 11 o 7  6.19009e+01 2.69952e+01 9.92548e+00 283.795 1.52079e-01  -6.19380e-01 0.00000e+00 0.00000e+00 3.82524e+00 283.795 6.10024e+00 103.795 0.3037 
1 1 1 17 14 12 o 4  8.71402e+01 3.07247e+01 1.83151e+01 188.249 -1.49177e+00 -2.16263e-01 0.00000e+00 0.00000e+00 2.00187e+01 188.249 1.70358e+00 188.249 0.5979 
1 1 1 17 14 13 o 3  1.00922e+02 3.14793e+01 2.48258e+01 266.475 -1.54673e-01 -2.51127e+00 0.00000e+00 0.00000e+00 3.24624e+01 266.475 7.63664e+00 266.475 0.7667 
1 1 1 17 14 14 o 16 5.10336e+01 2.42493e+01 1.46858e+01 342.741 9.49979e-01  -2.95141e-01 0.00000e+00 0.00000e+00 2.22473e+00 342.741 1.24610e+01 162.741 0.4445 
1 1 1 17 14 15 o 7  7.01554e+01 3.12078e+01 1.36796e+01 26.882  1.11644e+00  5.65955e-01  0.00000e+00 0.00000e+00 1.41611e+01 26.882  4.81477e-01 26.882  0.5285 
1 1 1 17 14 16 o 7  6.07083e+01 2.83876e+01 1.98708e+01 270.944 2.88579e-02  -1.75207e+00 0.00000e+00 0.00000e+00 1.01116e+01 270.944 9.75924e+00 90.944  0.6526 
1 1 1 17 14 17 o 5  5.89379e+01 2.80468e+01 1.47227e+01 147.314 -1.21730e+00 7.81081e-01  0.00000e+00 0.00000e+00 1.14793e+01 147.314 3.24333e+00 327.314 0.5826 
1 1 1 17 14 18 o 14 5.97137e+01 2.74371e+01 2.25724e+01 78.674  4.48667e-01  2.24011e+00  0.00000e+00 0.00000e+00 1.14184e+01 78.674  1.11539e+01 258.674 0.7394 
1 1 1 17 15 0  o 18 4.45884e+01 3.03384e+01 1.25921e+01 90.000  1.41376e-17  2.30885e-01  0.00000e+00 0.00000e+00 5.30365e+00 270.000 1.78958e+01 270.000 0.2269 
1 1 1 17 15 1  o 16 9.13104e+01 3.08251e+01 3.00856e+01 168.586 -1.99355e+00 4.02472e-01  0.00000e+00 0.00000e+00 1.61929e+01 168.586 1.38927e+01 348.586 0.7032 
1 1 1 17 15 2  o 11 6.39976e+01 2.73685e+01 4.45944e+01 169.817 -2.19522e+00 3.94302e-01  0.00000e+00 0.00000e+00 1.07977e+01 349.817 5.53921e+01 349.817 0.7322 
1 1 1 17 15 3  o 9  1.17115e+02 3.19103e+01 5.94411e+01 289.674 1.69962e+00  -4.75350e+00 0.00000e+00 0.00000e+00 1.62106e+01 289.674 4.32305e+01 109.675 0.8945 
1 1 1 17 15 4  o 4  8.48515e+01 3.17541e+01 2.54874e+01 312.889 1.06762e+00  -1.14935e+00 0.00000e+00 0.00000e+00 1.21204e+01 312.889 1.33669e+01 132.889 0.6127 
1 1 1 17 15 5  o 10 7.36005e+01 2.77698e+01 3.30272e+01 11.432  1.93810e+00  3.91922e-01  0.00000e+00 0.00000e+00 4.00954e+00 11.432  2.90177e+01 191.432 0.6940 
1 1 1 17 15 6  o 1  6.30311e+01 2.72680e+01 2.49755e+01 98.959  -2.00322e-01 1.27068e+00  0.00000e+00 0.00000e+00 2.86355e-01 278.959 2.52619e+01 278.959 0.5387 
1 1 1 17 15 7  f 0  1.10961e+02 3.47473e+01 5.15986e+01 108.132 -1.43296e+00 4.37590e+00  0.00000e+00 0.00000e+00 1.99005e+01 108.132 3.16981e+01 288.132 0.8833 
1 1 1 17 15 8  o 5  7.19682e+01 3.02875e+01 1.47016e+01 251.430 -3.39005e-01 -1.00906e+00 0.00000e+00 0.00000e+00 1.00019e+01 251.430 4.69968e+00 71.430  0.4688 
1 1 1 17 15 9  o 19 1.02724e+02 3.13477e+01 3.87149e+01 229.618 -2.44974e+00 -2.88027e+00 0.00000e+00 0.00000e+00 2.58390e+01 229.618 1.28759e+01 49.618  0.8545 
1 1 1 17 15 10 o 16 9.16196e+01 3.09499e+01 1.91044e+01 22.635  1.52681e+00  6.36648e-01  0.00000e+00 0.00000e+00 2.36824e+01 22.635  4.57798e+00 22.635  0.6320 
1 1 1 17 15 11 o 13 8.92461e+01 3.09493e+01 3.61752e+01 6.463   3.28159e+00  3.71742e-01  0.00000e+00 0.00000e+00 1.88559e+01 6.463   1.73193e+01 186.463 0.8301 
1 1 1 17 15 12 o 10 9.44766e+01 3.14917e+01 2.25633e+01 253.730 -6.80070e-01 -2.33022e+00 0.00000e+00 0.00000e+00 3.08635e+01 253.730 8.30026e+00 253.730 0.7569 
1 1 1 17 15 13 o 9  6.83114e+01 2.88313e+01 2.88862e+01 210.607 -2.01230e+00 -1.19040e+00 0.00000e+00 0.00000e+00 9.43892e+00 210.607 1.94473e+01 30.607  0.7462 
1 1 1 17 15 14 o 7  5.73251e+01 2.61214e+01 9.16324e+00 111.436 -2.88791e-01 7.35529e-01  0.00000e+00 0.00000e+00 6.77009e+00 111.436 2.39315e+00 291.436 0.3672 
1 1 1 17 15 15 o 6  7.39752e+01 3.21424e+01 2.08475e+01 115.071 -8.43247e-01 1.80252e+00  0.00000e+00 0.00000e+00 1.84224e+01 115.071 2.42510e+00 295.071 0.6961 
1 1 1 17 15 16 o 10 8.34736e+01 3.48796e+01 1.27650e+01 167.226 -1.35795e+00 3.07863e-01  0.00000e+00 0.00000e+00 2.37000e+01 167.226 1.09350e+01 167.226 0.5684 
1 1 1 17 15 17 o 17 7.76867e+01 3.35909e+01 3.19670e+01 287.362 1.00795e+00  -3.22388e+00 0.00000e+00 0.00000e+00 1.82725e+01 287.362 1.36945e+01 107.362 0.8345 
1 1 1 17 16 0  o 5  5.63251e+01 3.58499e+01 5.95327e+00 90.000  8.68842e-18  1.41893e-01  0.00000e+00 0.00000e+00 1.37832e-01 270.000 6.09110e+00 270.000 0.1409 
1 1 1 17 16 1  o 4  6.77963e+01 2.82228e+01 1.06877e+01 211.796 -4.97304e-01 -3.08298e-01 0.00000e+00 0.00000e+00 3.25665e+00 211.796 7.43107e+00 31.796  0.2807 
1 1 1 17 16 2  o 12 1.20135e+02 3.08958e+01 3.90000e+01 182.137 -4.09107e+00 -1.52648e-01 0.00000e+00 0.00000e+00 3.73780e+01 182.137 1.62202e+00 2.137   0.8670 
1 1 1 17 16 3  o 4  6.59718e+01 2.86710e+01 1.69637e+01 124.018 -5.70417e-01 8.45105e-01  0.00000e+00 0.00000e+00 4.99179e+00 124.018 1.19719e+01 304.018 0.4533 
1 1 1 17 16 4  o 15 8.26695e+01 3.19345e+01 2.13412e+01 1.050   1.50407e+00  2.75607e-02  0.00000e+00 0.00000e+00 1.49698e+01 1.050   6.37144e+00 181.050 0.5972 
1 1 1 17 16 5  o 4  5.99017e+01 2.68837e+01 8.19654e+00 164.702 -5.15427e-01 1.40988e-01  0.00000e+00 0.00000e+00 3.19937e+00 164.702 4.99717e+00 344.702 0.2581 
1 1 1 17 16 6  o 6  3.88593e+01 1.93308e+01 2.81993e+01 289.824 4.68661e-01  -1.30002e+00 0.00000e+00 0.00000e+00 1.19537e+01 109.824 4.01530e+01 109.824 0.5656 
1 1 1 17 16 7  o 6  5.97823e+01 2.65208e+01 8.30044e+00 264.527 -4.99769e-02 -5.21644e-01 0.00000e+00 0.00000e+00 2.93510e+00 264.527 5.36534e+00 84.527  0.2534 
1 1 1 17 16 8  o 1  7.24071e+01 2.91589e+01 1.69078e+01 91.245  -2.61924e-02 1.20547e+00  0.00000e+00 0.00000e+00 1.08286e+01 91.245  6.07924e+00 271.245 0.5146 
1 1 1 17 16 9  o 5  6.88962e+01 2.85019e+01 9.96946e+00 229.336 -4.44780e-01 -5.17766e-01 0.00000e+00 0.00000e+00 6.65998e+00 229.336 3.30948e+00 49.336  0.3228 
1 1 1 17 16 10 o 3  8.07259e+01 3.02404e+01 5.72766e+00 84.152  4.88997e-02  4.77436e-01  0.00000e+00 0.00000e+00 8.42133e+00 84.152  2.69368e+00 84.152  0.2333 
1 1 1 17 16 11 o 12 3.99155e+01 1.97118e+01 1.87473e+01 173.393 -1.10558e+00 1.28059e-01  0.00000e+00 0.00000e+00 4.12728e+00 353.393 2.28746e+01 353.393 0.4850 
1 1 1 17 16 12 o 17 6.34327e+01 2.78558e+01 1.89990e+01 212.013 -1.48385e+00 -9.27692e-01 0.00000e+00 0.00000e+00 1.24238e+01 212.013 6.57513e+00 32.013  0.6521 
1 1 1 17 16 13 o 1  6.91850e+01 2.90237e+01 1.68361e+01 336.731 1.47318e+00  -6.33499e-01 0.00000e+00 0.00000e+00 1.59916e+01 336.731 8.44446e-01 156.731 0.6207 
1 1 1 17 16 14 o 7  6.58160e+01 2.85128e+01 1.97044e+01 29.632  1.62967e+00  9.26997e-01  0.00000e+00 0.00000e+00 1.45441e+01 29.632  5.16022e+00 209.632 0.6761 
1 1 1 17 16 15 o 10 8.64051e+01 3.48577e+01 9.07109e+00 134.368 -7.14702e-01 7.30637e-01  0.00000e+00 0.00000e+00 2.13523e+01 134.368 1.22812e+01 134.368 0.4542 
1 1 1 17 16 16 f 0  6.84275e+01 3.10067e+01 1.04572e+01 129.686 -6.80409e-01 8.19976e-01  0.00000e+00 0.00000e+00 1.46256e+01 129.686 4.16844e+00 129.686 0.4691 
1 1 1 17 17 0  o 12 5.10805e+01 3.39113e+01 4.14038e+00 90.000  7.49089e-18  1.22336e-01  0.00000e+00 0.00000e+00 4.95288e-01 90.000  3.64509e+00 270.000 0.1217 
1 1 1 17 17 1  o 2  5.17389e+01 2.41929e+01 1.38817e+01 119.754 -4.10408e-01 7.17939e-01  0.00000e+00 0.00000e+00 8.46807e-01 119.754 1.30349e+01 299.754 0.3817 
1 1 1 17 17 2  o 10 5.93456e+01 2.64118e+01 1.91649e+01 287.001 3.64945e-01  -1.19363e+00 0.00000e+00 0.00000e+00 4.19501e+00 287.001 1.49699e+01 107.001 0.5274 
1 1 1 17 17 3  o 19 6.65015e+01 2.84967e+01 1.64109e+01 272.848 5.51290e-02  -1.10818e+00 0.00000e+00 0.00000e+00 7.63286e+00 272.848 8.77802e+00 92.848  0.4839 
1 1 1 17 17 4  o 12 5.72873e+01 2.60558e+01 4.61974e+01 94.748  -2.34083e-01 2.81826e+00  0.00000e+00 0.00000e+00 1.20456e+01 274.748 5.82430e+01 274.748 0.7964 
1 1 1 17 17 5  o 12 6.82685e+01 3.01276e+01 1.96358e+01 77.252  2.86197e-01  1.26502e+00  0.00000e+00 0.00000e+00 8.11401e+00 77.252  1.15218e+01 257.252 0.5418 
1 1 1 17 17 6  o 3  7.02696e+01 2.87084e+01 1.59998e+01 210.327 -9.65134e-01 -5.64598e-01 0.00000e+00 0.00000e+00 9.72933e+00 210.327 6.27046e+00 30.327  0.4867 
1 1 1 17 17 7  o 13 7.26676e+01 2.93083e+01 3.62726e+01 238.446 -1.47254e+00 -2.39786e+00 0.00000e+00 0.00000e+00 7.34504e+00 238.446 2.89276e+01 58.446  0.7952 
1 1 1 17 17 8  f 0  6.96290e+01 2.82173e+01 9.60942e+00 80.193  1.42360e-01  8.23579e-01  0.00000e+00 0.00000e+00 1.07117e+01 80.193  1.10229e+00 80.193  0.3852 
1 1 1 17 17 9  o 12 7.05749e+01 2.83338e+01 1.85838e+01 13.771  1.57875e+00  3.86931e-01  0.00000e+00 0.00000e+00 1.50147e+01 13.771  3.56907e+00 193.771 0.6257 
1 1 1 17 17 10 o 2  6.76626e+01 2.81810e+01 1.62598e+01 323.740 1.07193e+00  -7.86254e-01 0.00000e+00 0.00000e+00 1.22468e+01 323.740 4.01301e+00 143.740 0.5510 
1 1 1 17 17 11 o 7  7.01623e+01 2.87560e+01 2.00188e+01 218.494 -1.54780e+00 -1.23090e+00 0.00000e+00 0.00000e+00 1.74107e+01 218.494 2.60810e+00 38.494  0.6941 
1 1 1 17 17 12 o 11 9.55265e+01 3.13917e+01 3.26532e+01 119.690 -2.04534e+00 3.58727e+00  0.00000e+00 0.00000e+00 3.14732e+01 119.690 1.17996e+00 299.690 0.8683 
1 1 1 17 17 13 o 11 6.18295e+01 2.71412e+01 1.13921e+01 65.174  4.68450e-01  1.01260e+00  0.00000e+00 0.00000e+00 1.19803e+01 65.174  5.88155e-01 65.174  0.4859 
1 1 1 17 17 14 o 5  7.47488e+01 3.00399e+01 1.98811e+01 261.223 -3.50174e-01 -2.26799e+00 0.00000e+00 0.00000e+00 2.34885e+01 261.223 3.60746e+00 261.223 0.7407 
1 1 1 17 18 0  o 7  8.04089e+01 4.42421e+01 9.18855e+00 270.000 -2.12956e-17 -3.47783e-01 0.00000e+00 0.00000e+00 1.12358e+01 270.000 2.04724e+00 270.000 0.3344 
1 1 1 17 18 1  o 15 6.19069e+01 2.73877e+01 1.04982e+01 162.624 -6.35709e-01 1.98933e-01  0.00000e+00 0.00000e+00 4.35767e+00 162.624 6.14053e+00 342.623 0.3159 
1 1 1 17 18 2  o 7  5.73122e+01 2.59419e+01 2.64189e+01 28.877  1.53751e+00  8.47961e-01  0.00000e+00 0.00000e+00 2.05048e+00 28.877  2.43684e+01 208.877 0.6533 
1 1 1 17 18 3  o 17 5.10770e+01 2.41164e+01 1.47607e+01 134.663 -6.39435e-01 6.46993e-01  0.00000e+00 0.00000e+00 1.31677e+00 134.663 1.34439e+01 314.663 0.4135 
1 1 1 17 18 4  o 7  4.74364e+01 2.28340e+01 2.45609e+01 220.443 -1.09801e+00 -9.35902e-01 0.00000e+00 0.00000e+00 3.51831e+00 40.443  2.80793e+01 40.443  0.5817 
1 1 1 17 18 5  o 4  9.55731e+01 3.51995e+01 1.23832e+01 291.059 4.39131e-01  -1.14046e+00 0.00000e+00 0.00000e+00 2.55731e+01 291.059 1.31898e+01 291.059 0.5196 
1 1 1 17 18 6  o 6  8.12202e+01 3.28867e+01 4.21161e+00 8.405   3.71448e-01  5.48828e-02  0.00000e+00 0.00000e+00 7.27490e+00 8.405   3.06329e+00 8.405   0.1845 
1 1 1 17 18 7  o 3  5.44908e+01 2.42725e+01 1.81717e+01 60.817  6.48502e-01  1.16117e+00  0.00000e+00 0.00000e+00 4.92627e+00 60.817  1.32455e+01 240.817 0.5512 
1 1 1 17 18 8  o 11 5.83070e+01 2.58477e+01 1.85508e+01 88.365  4.78431e-02  1.67577e+00  0.00000e+00 0.00000e+00 1.01119e+01 88.365  8.43885e+00 268.365 0.6368 
1 1 1 17 18 9  o 6  5.59297e+01 2.52152e+01 1.05188e+01 299.747 4.59248e-01  -8.03600e-01 0.00000e+00 0.00000e+00 7.66584e+00 299.747 2.85296e+00 119.747 0.4194 
1 1 1 17 18 10 o 11 1.25284e+02 2.93827e+01 3.03244e+01 203.134 -4.75305e+00 -2.03066e+00 0.00000e+00 0.00000e+00 5.72306e+01 203.134 2.69062e+01 203.134 0.8972 
1 1 1 17 18 11 o 15 5.28682e+01 2.45314e+01 1.37828e+01 84.389  1.23513e-01  1.25722e+00  0.00000e+00 0.00000e+00 8.24027e+00 84.389  5.54250e+00 264.389 0.5319 
1 1 1 17 18 12 f 0  6.97301e+01 2.87298e+01 2.16206e+01 3.948   2.44205e+00  1.68538e-01  0.00000e+00 0.00000e+00 2.00776e+01 3.948   1.54297e+00 183.948 0.7592 
1 1 1 17 18 13 o 18 5.80226e+01 2.60504e+01 7.93529e+00 280.600 1.51385e-01  -8.08942e-01 0.00000e+00 0.00000e+00 9.54946e+00 280.600 1.61417e+00 280.600 0.3802 
1 1 1 17 19 0  f 0  9.26196e+01 4.60928e+01 2.59162e+01 90.000  7.95450e-17  1.29907e+00  0.00000e+00 0.00000e+00 3.58974e+01 90.000  9.98118e+00 90.000  0.8615 
1 1 1 17 19 1  o 17 7.57766e+01 3.05952e+01 1.45203e+01 186.877 -1.24811e+00 -1.50525e-01 0.00000e+00 0.00000e+00 1.66084e+01 186.877 2.08811e+00 186.877 0.5301 
1 1 1 17 19 2  o 15 4.94861e+01 2.35216e+01 6.77074e+00 348.286 4.50956e-01  -9.35051e-02 0.00000e+00 0.00000e+00 1.83987e+00 348.286 4.93086e+00 168.286 0.2244 
1 1 1 17 19 3  o 6  1.23858e+02 3.12433e+01 2.49541e+01 17.197  3.30746e+00  1.02364e+00  0.00000e+00 0.00000e+00 5.57437e+01 17.197  3.07896e+01 17.197  0.8391 
1 1 1 17 19 4  o 8  6.96456e+01 2.95874e+01 1.23211e+01 135.790 -7.19202e-01 6.99646e-01  0.00000e+00 0.00000e+00 1.19256e+01 135.790 3.95500e-01 315.790 0.4476 
1 1 1 17 19 5  o 9  8.31151e+01 3.80499e+01 1.34552e+01 199.976 -1.10798e+00 -4.02742e-01 0.00000e+00 0.00000e+00 1.93449e+01 199.976 5.88973e+00 199.976 0.5062 
1 1 1 17 19 6  o 4  9.69736e+01 3.06665e+01 8.44903e+00 91.658  -3.14790e-02 1.08758e+00  0.00000e+00 0.00000e+00 2.76910e+01 91.658  1.92420e+01 91.658  0.4767 
1 1 1 17 19 7  o 6  5.11470e+01 2.33924e+01 5.75621e+00 79.942  8.44444e-02  4.76067e-01  0.00000e+00 0.00000e+00 3.66910e+00 79.942  2.08712e+00 259.942 0.2349 
1 1 1 17 19 8  o 5  6.38418e+01 2.64892e+01 1.32682e+01 309.990 8.44665e-01  -1.00700e+00 0.00000e+00 0.00000e+00 1.42145e+01 309.990 9.46325e-01 309.990 0.5468 
1 1 1 17 19 9  o 14 5.31739e+01 2.39281e+01 1.83988e+01 256.137 -4.15092e-01 -1.68197e+00 0.00000e+00 0.00000e+00 8.86953e+00 256.137 9.52926e+00 76.137  0.6486 
1 1 1 17 19 10 o 15 8.36940e+01 3.03312e+01 7.75063e+00 85.045  8.57268e-02  9.88800e-01  0.00000e+00 0.00000e+00 2.17546e+01 85.045  1.40039e+01 85.045  0.4437 
1 1 1 17 19 11 o 4  6.51676e+01 2.77200e+01 1.66783e+01 107.603 -5.52986e-01 1.74292e+00  0.00000e+00 0.00000e+00 1.80653e+01 107.603 1.38700e+00 107.603 0.6675 
1 1 1 17 20 0  o 6  4.86420e+01 3.28446e+01 1.33140e+00 90.000  3.28543e-18  5.36551e-02  0.00000e+00 0.00000e+00 7.30988e-01 90.000  6.00415e-01 270.000 0.0536 
1 1 1 17 20 1  o 1  5.24730e+01 2.45850e+01 3.07125e+01 67.846  9.65550e-01  2.37150e+00  0.00000e+00 0.00000e+00 1.31352e+00 67.846  2.93990e+01 247.846 0.7714 
1 1 1 17 20 2  o 3  7.55847e+01 3.34399e+01 1.38233e+01 188.997 -1.23842e+00 -1.96081e-01 0.00000e+00 0.00000e+00 1.78440e+01 188.997 4.02068e+00 188.997 0.5291 
1 1 1 17 20 3  o 7  4.86807e+01 2.33033e+01 1.62377e+01 253.874 -3.62062e-01 -1.25226e+00 0.00000e+00 0.00000e+00 4.74489e+00 253.874 1.14928e+01 73.874  0.5437 
1 1 1 17 20 4  o 15 5.80873e+01 2.73639e+01 2.37662e+01 332.753 1.85447e+00  -9.54994e-01 0.00000e+00 0.00000e+00 9.05135e+00 332.753 1.47149e+01 152.753 0.7114 
1 1 1 17 20 5  o 1  7.56851e+01 3.16939e+01 1.75011e+01 39.087  1.34370e+00  1.09149e+00  0.00000e+00 0.00000e+00 2.15552e+01 39.087  4.05411e+00 39.087  0.6483 
1 1 1 17 20 6  o 10 5.32650e+01 2.44913e+01 2.06169e+01 100.574 -3.50741e-01 1.87885e+00  0.00000e+00 0.00000e+00 8.40681e+00 100.574 1.22100e+01 280.574 0.6827 
1 1 1 17 20 7  o 5  4.86214e+01 2.24240e+01 1.05002e+01 102.270 -2.01812e-01 9.27925e-01  0.00000e+00 0.00000e+00 6.17453e+00 102.270 4.32565e+00 282.270 0.4283 
1 1 1 17 20 8  o 17 7.52283e+01 2.79366e+01 3.02425e+01 199.361 -3.57903e+00 -1.25766e+00 0.00000e+00 0.00000e+00 2.14665e+01 199.361 8.77598e+00 19.361  0.8551 
1 1 1 17 20 9  o 5  4.62931e+01 2.17516e+01 6.68182e+00 197.538 -6.19438e-01 -1.95756e-01 0.00000e+00 0.00000e+00 4.85901e+00 197.538 1.82280e+00 17.538  0.3088 
1 1 1 17 21 0  o 15 6.23257e+01 3.92812e+01 1.19786e+01 270.000 -3.54558e-17 -5.79037e-01 0.00000e+00 0.00000e+00 1.43220e+01 270.000 2.34341e+00 270.000 0.5220 
1 1 1 17 21 1  o 12 6.60284e+01 3.03412e+01 8.78556e+00 296.644 3.68940e-01  -7.35339e-01 0.00000e+00 0.00000e+00 1.15080e+01 296.644 2.72242e+00 296.644 0.3801 
1 1 1 17 21 2  o 12 7.39754e+01 3.04331e+01 1.55886e+01 321.000 1.26596e+00  -1.02517e+00 0.00000e+00 0.00000e+00 2.19142e+01 321.000 6.32556e+00 321.000 0.6264 
1 1 1 17 21 3  o 5  7.82454e+01 3.09881e+01 2.00116e+01 187.480 -2.31124e+00 -3.03444e-01 0.00000e+00 0.00000e+00 2.72421e+01 187.480 7.23057e+00 187.480 0.7453 
1 1 1 17 21 4  f 0  7.44313e+01 3.14333e+01 2.71946e+01 66.931  1.15928e+00  2.72193e+00  0.00000e+00 0.00000e+00 2.15549e+01 66.931  5.63970e+00 246.931 0.8069 
1 1 1 17 21 5  o 15 5.07368e+01 2.41779e+01 1.81292e+01 21.742  1.64449e+00  6.55820e-01  0.00000e+00 0.00000e+00 8.95898e+00 21.742  9.17022e+00 201.742 0.6562 
1 1 1 17 21 6  o 6  6.13786e+01 2.68134e+01 1.33471e+01 230.114 -9.12409e-01 -1.09178e+00 0.00000e+00 0.00000e+00 1.55195e+01 230.114 2.17232e+00 230.114 0.5765 
1 1 1 18 0  6  o 12 3.32836e+02 3.04074e+01 8.03612e+01 180.000 -8.19470e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.15328e+02 180.000 3.49669e+01 180.000 1.0000 
1 1 1 18 0  7  o 7  2.41989e+02 3.26418e+01 5.33190e+01 270.000 -2.37764e-16 -3.88299e+00 0.00000e+00 0.00000e+00 8.93037e+01 270.000 3.59847e+01 270.000 0.9992 
1 1 1 18 0  8  o 9  8.62827e+01 4.65499e+01 3.68542e+01 0.000   9.53334e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.01744e+00 0.000   3.58368e+01 180.000 0.7413 
1 1 1 18 0  9  o 15 6.50040e+01 4.06311e+01 3.78067e+01 90.000  4.52709e-17  7.39330e-01  0.00000e+00 0.00000e+00 1.35028e+01 270.000 5.13095e+01 270.000 0.6287 
1 1 1 18 0  10 o 12 3.23277e+02 3.28967e+01 6.45663e+01 0.000   7.01599e+00  0.00000e+00  0.00000e+00 0.00000e+00 1.28595e+02 0.000   6.40291e+01 0.000   1.0000 
1 1 1 18 0  11 o 7  6.96811e+01 3.98535e+01 3.23337e+01 270.000 -4.62600e-17 -7.55482e-01 0.00000e+00 0.00000e+00 5.61225e+00 90.000  3.79459e+01 90.000  0.6384 
1 1 1 18 0  12 o 19 1.54019e+02 3.88865e+01 7.45869e+01 180.000 -3.98603e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.84038e+01 180.000 5.61831e+01 0.000   0.9993 
1 1 1 18 0  13 f 0  5.26591e+01 3.38635e+01 9.70504e+00 90.000  1.18836e-17  1.94074e-01  0.00000e+00 0.00000e+00 3.56829e+00 270.000 1.32733e+01 270.000 0.1917 
1 1 1 18 0  14 o 11 3.99355e+01 2.78349e+01 5.79116e+00 0.000   1.27530e-01  0.00000e+00  0.00000e+00 0.00000e+00 2.69028e+00 180.000 8.48144e+00 180.000 0.1268 
1 1 1 18 0  15 o 1  4.53977e+01 3.08942e+01 1.15851e+01 90.000  1.64769e-17  2.69088e-01  0.00000e+00 0.00000e+00 4.22892e+00 270.000 1.58141e+01 270.000 0.2628 
1 1 1 18 0  16 o 14 1.65950e+02 3.66009e+01 3.19260e+01 0.000   2.77832e+00  0.00000e+00  0.00000e+00 0.00000e+00 7.04164e+01 0.000   3.84904e+01 0.000   0.9923 
1 1 1 18 0  17 o 1  5.88024e+01 3.67361e+01 3.14818e+00 270.000 -6.70178e-18 -1.09448e-01 0.00000e+00 0.00000e+00 8.68991e-01 270.000 2.27919e+00 90.000  0.1090 
1 1 1 18 0  18 o 8  4.59960e+01 3.13036e+01 1.59247e+01 180.000 -5.79628e-01 0.00000e+00  0.00000e+00 0.00000e+00 7.33275e-01 0.000   1.66579e+01 0.000   0.5224 
1 1 1 18 0  19 o 11 1.05009e+02 4.57814e+01 1.55997e+01 270.000 -6.33914e-17 -1.03526e+00 0.00000e+00 0.00000e+00 3.64026e+01 270.000 2.08029e+01 270.000 0.7760 
1 1 1 18 0  20 o 11 4.05255e+01 2.81110e+01 1.87369e+01 180.000 -7.82970e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.64540e+00 0.000   2.03823e+01 0.000   0.6544 
1 1 1 18 1  7  o 2  9.99887e+01 3.25134e+01 4.98328e+01 72.863  8.08192e-01  2.62109e+00  0.00000e+00 0.00000e+00 3.27087e+00 252.863 5.31037e+01 252.863 0.7890 
1 1 1 18 1  8  o 5  7.45544e+01 3.01088e+01 3.47769e+01 127.214 -9.70444e-01 1.27787e+00  0.00000e+00 0.00000e+00 7.35097e+00 307.214 4.21279e+01 307.214 0.6209 
1 1 1 18 1  9  o 14 1.23407e+02 3.33036e+01 4.51049e+01 231.347 -1.99025e+00 -2.48840e+00 0.00000e+00 0.00000e+00 1.53137e+01 231.347 2.97912e+01 51.347  0.8229 
1 1 1 18 1  10 o 13 9.24801e+01 3.46144e+01 3.71711e+01 53.344  1.21848e+00  1.63735e+00  0.00000e+00 0.00000e+00 1.77289e+00 53.344  3.53982e+01 233.344 0.7044 
1 1 1 18 1  11 f 0  7.67646e+01 3.04761e+01 1.40217e+01 54.424  4.08772e-01  5.71463e-01  0.00000e+00 0.00000e+00 1.26185e+00 54.424  1.27598e+01 234.424 0.3313 
1 1 1 18 1  12 o 6  1.03522e+02 2.95727e+01 1.28044e+01 224.744 -6.37358e-01 -6.31692e-01 0.00000e+00 0.00000e+00 1.27805e+01 224.744 2.39432e-02 44.744  0.4088 
1 1 1 18 1  13 o 10 8.38427e+01 2.93374e+01 6.61201e+00 272.834 2.24724e-02  -4.53938e-01 0.00000e+00 0.00000e+00 4.68905e+00 272.834 1.92296e+00 92.834  0.2216 
1 1 1 18 1  14 o 10 1.12966e+02 2.79914e+01 2.35495e+01 250.538 -8.62043e-01 -2.43942e+00 0.00000e+00 0.00000e+00 3.00144e+01 250.538 6.46491e+00 250.538 0.7742 
1 1 1 18 1  15 o 2  5.65864e+01 2.53108e+01 2.50929e+01 102.813 -3.06360e-01 1.34704e+00  0.00000e+00 0.00000e+00 5.35240e+00 282.813 3.04452e+01 282.813 0.5654 
1 1 1 18 1  16 o 7  1.25323e+02 2.78959e+01 1.52214e+01 35.532  1.57224e+00  1.12280e+00  0.00000e+00 0.00000e+00 3.82593e+01 35.532  2.30379e+01 35.532  0.6863 
1 1 1 18 1  17 o 17 1.99904e+02 2.27058e+01 4.58147e+01 286.360 3.24093e+00  -1.10405e+01 0.00000e+00 0.00000e+00 7.39509e+01 286.360 2.81362e+01 286.360 0.9555 
1 1 1 18 1  18 o 3  6.76968e+01 2.80576e+01 9.85263e+00 263.525 -1.03605e-01 -9.12877e-01 0.00000e+00 0.00000e+00 7.99844e+00 263.525 1.85419e+00 83.525  0.4169 
1 1 1 18 1  19 o 19 1.69903e+02 2.29359e+01 4.78162e+01 92.051  -4.65388e-01 1.29957e+01  0.00000e+00 0.00000e+00 5.64088e+01 92.051  8.59266e+00 92.051  0.9607 
1 1 1 18 1  20 o 13 5.35495e+01 2.46186e+01 8.63681e+00 153.897 -7.51048e-01 3.67976e-01  0.00000e+00 0.00000e+00 4.67140e+00 153.897 3.96541e+00 333.897 0.3854 
1 1 1 18 2  6  o 1  1.93053e+02 2.47251e+01 4.77587e+01 282.466 1.18636e+00  -5.36619e+00 0.00000e+00 0.00000e+00 5.50387e+01 282.466 7.28002e+00 282.466 0.9037 
1 1 1 18 2  7  o 17 8.78353e+01 3.22038e+01 5.25086e+01 45.985  1.94640e+00  2.01449e+00  0.00000e+00 0.00000e+00 1.12748e+01 225.985 6.37834e+01 225.985 0.7941 
1 1 1 18 2  8  o 1  1.66185e+02 2.76985e+01 3.89308e+01 108.678 -1.31481e+00 3.88931e+00  0.00000e+00 0.00000e+00 4.66099e+01 108.678 7.67910e+00 108.678 0.8675 
1 1 1 18 2  9  o 9  7.62693e+01 3.13092e+01 5.50540e+01 315.436 1.74958e+00  -1.72312e+00 0.00000e+00 0.00000e+00 2.05076e+01 135.436 7.55616e+01 135.436 0.7601 
1 1 1 18 2  10 o 13 1.76327e+02 2.96668e+01 5.67941e+01 281.993 1.30837e+00  -6.15916e+00 0.00000e+00 0.00000e+00 3.99969e+01 281.993 1.67972e+01 101.993 0.9167 
1 1 1 18 2  11 o 1  1.14207e+02 3.62091e+01 6.13910e+01 161.270 -4.02871e+00 1.36596e+00  0.00000e+00 0.00000e+00 1.39896e+00 341.270 6.27899e+01 341.270 0.8726 
1 1 1 18 2  12 o 12 1.17985e+02 2.78311e+01 5.54969e+01 78.538  8.98641e-01  4.43200e+00  0.00000e+00 0.00000e+00 7.43721e+00 78.538  4.80597e+01 258.538 0.8810 
1 1 1 18 2  13 o 5  1.73719e+02 2.12733e+01 4.45965e+01 39.320  5.46700e+00  4.47794e+00  0.00000e+00 0.00000e+00 5.34460e+01 39.320  8.84945e+00 39.320  0.9263 
1 1 1 18 2  14 o 5  1.01702e+02 2.98205e+01 3.68373e+01 246.068 -1.43184e+00 -3.22630e+00 0.00000e+00 0.00000e+00 1.57351e+01 246.068 2.11022e+01 66.068  0.8426 
1 1 1 18 2  15 o 18 1.23125e+02 2.73437e+01 3.46983e+01 268.069 -1.34182e-01 -3.97964e+00 0.00000e+00 0.00000e+00 3.09509e+01 268.069 3.74746e+00 88.069  0.8628 
1 1 1 18 2  16 o 19 8.31204e+01 2.98991e+01 1.86926e+01 237.530 -8.14540e-01 -1.28007e+00 0.00000e+00 0.00000e+00 1.23876e+01 237.530 6.30496e+00 57.530  0.6004 
1 1 1 18 2  17 o 6  7.18038e+01 2.88235e+01 1.03542e+01 168.579 -8.13905e-01 1.64418e-01  0.00000e+00 0.00000e+00 6.91991e+00 168.579 3.43426e+00 348.579 0.3831 
1 1 1 18 2  18 o 6  6.44552e+01 2.75111e+01 3.90739e+00 36.883  2.77421e-01  2.08165e-01  0.00000e+00 0.00000e+00 3.07022e+00 36.883  8.37165e-01 216.883 0.1709 
1 1 1 18 2  19 o 12 5.58528e+01 2.53570e+01 1.18602e+01 82.242  1.43419e-01  1.05266e+00  0.00000e+00 0.00000e+00 4.85858e+00 82.242  7.00158e+00 262.242 0.4681 
1 1 1 18 2  20 o 4  1.36376e+02 2.75885e+01 2.76688e+01 96.399  -6.99966e-01 6.24083e+00  0.00000e+00 0.00000e+00 5.30545e+01 96.399  2.53857e+01 96.399  0.9165 
1 1 1 18 3  5  o 10 1.15648e+02 4.00898e+01 6.59843e+01 231.124 -2.43636e+00 -3.02201e+00 0.00000e+00 0.00000e+00 7.47068e+00 51.124  7.34550e+01 51.124  0.8588 
1 1 1 18 3  6  o 5  1.24349e+02 3.91819e+01 3.70936e+01 56.649  1.29853e+00  1.97298e+00  0.00000e+00 0.00000e+00 1.79374e+01 56.649  1.91562e+01 236.649 0.7491 
1 1 1 18 3  7  o 13 1.14624e+02 3.20502e+01 2.19384e+01 84.795  1.38588e-01  1.52150e+00  0.00000e+00 0.00000e+00 1.90240e+01 84.795  2.91441e+00 264.795 0.6029 
1 1 1 18 3  8  o 12 1.75849e+02 3.69328e+01 4.77344e+01 217.863 -3.65012e+00 -2.83772e+00 0.00000e+00 0.00000e+00 4.47365e+01 217.863 2.99785e+00 37.863  0.8838 
1 1 1 18 3  9  o 3  2.14417e+02 2.51459e+01 5.49281e+01 66.242  3.14757e+00  7.15086e+00  0.00000e+00 0.00000e+00 6.46849e+01 66.242  9.75680e+00 66.242  0.9336 
1 1 1 18 3  10 o 4  7.76994e+01 2.97406e+01 2.42079e+01 55.345  6.71097e-01  9.70802e-01  0.00000e+00 0.00000e+00 5.75146e-01 235.345 2.47830e+01 235.345 0.5066 
1 1 1 18 3  11 o 18 1.97458e+02 2.26744e+01 7.31919e+01 229.394 -6.91876e+00 -8.07056e+00 0.00000e+00 0.00000e+00 4.02362e+01 229.394 3.29556e+01 49.394  0.9517 
1 1 1 18 3  12 o 1  2.12459e+02 2.24064e+01 4.48076e+01 325.164 6.07412e+00  -4.22736e+00 0.00000e+00 0.00000e+00 7.51120e+01 325.164 3.03044e+01 325.164 0.9297 
1 1 1 18 3  13 o 17 5.79118e+01 2.55569e+01 1.59452e+01 357.516 7.96211e-01  -3.45380e-02 0.00000e+00 0.00000e+00 2.85953e+00 177.516 1.88047e+01 177.516 0.3699 
1 1 1 18 3  14 o 2  7.71009e+01 3.10685e+01 2.17243e+01 142.374 -1.22150e+00 9.41583e-01  0.00000e+00 0.00000e+00 7.03464e+00 142.374 1.46897e+01 322.374 0.6064 
1 1 1 18 3  15 o 11 5.30467e+01 2.44348e+01 1.94035e+01 108.022 -3.09955e-01 9.52710e-01  0.00000e+00 0.00000e+00 4.70974e+00 288.022 2.41133e+01 288.022 0.4470 
1 1 1 18 3  16 o 15 8.17782e+01 2.92372e+01 1.72221e+01 270.721 1.74948e-02  -1.39027e+00 0.00000e+00 0.00000e+00 1.17767e+01 270.721 5.44540e+00 90.721  0.5678 
1 1 1 18 3  17 o 19 1.00335e+02 3.00893e+01 1.70700e+01 159.648 -1.74576e+00 6.47574e-01  0.00000e+00 0.00000e+00 2.54981e+01 159.648 8.42812e+00 159.648 0.6738 
1 1 1 18 3  18 o 2  5.31108e+01 2.45199e+01 2.04040e+01 141.718 -1.25554e+00 9.90931e-01  0.00000e+00 0.00000e+00 5.07300e-01 141.718 1.98967e+01 321.718 0.6198 
1 1 1 18 3  19 o 18 6.46092e+01 2.74769e+01 1.13851e+01 332.329 9.86905e-01  -5.17508e-01 0.00000e+00 0.00000e+00 8.72667e+00 332.329 2.65840e+00 152.329 0.4854 
1 1 1 18 3  20 o 19 8.41081e+01 3.07579e+01 1.97505e+01 300.849 1.28780e+00  -2.15609e+00 0.00000e+00 0.00000e+00 2.19829e+01 300.849 2.23237e+00 300.849 0.7662 
1 1 1 18 4  5  o 13 9.19599e+01 3.70400e+01 5.65834e+01 40.912  2.06894e+00  1.79296e+00  0.00000e+00 0.00000e+00 1.37019e+01 220.912 7.02854e+01 220.912 0.7886 
1 1 1 18 4  6  o 3  1.56633e+02 3.86436e+01 4.89995e+01 19.027  4.07785e+00  1.40625e+00  0.00000e+00 0.00000e+00 3.22321e+01 19.027  1.67674e+01 199.027 0.8746 
1 1 1 18 4  7  o 17 1.92216e+02 2.49716e+01 2.67544e+01 118.749 -1.61752e+00 2.94850e+00  0.00000e+00 0.00000e+00 6.85737e+01 118.749 4.18192e+01 118.749 0.8336 
1 1 1 18 4  8  o 9  1.08735e+02 3.34231e+01 3.70036e+01 254.886 -6.01030e-01 -2.22540e+00 0.00000e+00 0.00000e+00 1.11799e+01 254.886 2.58237e+01 74.886  0.7420 
1 1 1 18 4  9  o 18 8.25010e+01 3.24256e+01 1.88824e+01 267.404 -4.31429e-02 -9.51392e-01 0.00000e+00 0.00000e+00 2.35724e+00 267.404 1.65252e+01 87.404  0.4293 
1 1 1 18 4  10 f 0  6.50808e+01 2.79074e+01 3.62235e+01 120.193 -8.00422e-01 1.37564e+00  0.00000e+00 0.00000e+00 1.19872e+01 300.193 4.82107e+01 300.193 0.6180 
1 1 1 18 4  11 o 1  4.79360e+01 2.34338e+01 3.02305e+01 249.656 -3.67130e-01 -9.90158e-01 0.00000e+00 0.00000e+00 1.67005e+01 69.656  4.69310e+01 69.656  0.4659 
1 1 1 18 4  12 o 19 8.33634e+01 3.18484e+01 3.05055e+01 348.704 1.72657e+00  -3.44871e-01 0.00000e+00 0.00000e+00 2.73100e+00 348.704 2.77745e+01 168.704 0.6543 
1 1 1 18 4  13 o 7  9.86337e+01 3.03977e+01 3.09981e+01 211.531 -2.09577e+00 -1.28586e+00 0.00000e+00 0.00000e+00 1.49956e+01 211.531 1.60025e+01 31.531  0.7604 
1 1 1 18 4  14 o 5  7.33461e+01 2.87561e+01 1.93333e+01 246.013 -5.34076e-01 -1.20031e+00 0.00000e+00 0.00000e+00 5.41931e+00 246.013 1.39140e+01 66.013  0.5466 
1 1 1 18 4  15 o 15 9.73959e+01 2.98984e+01 2.78612e+01 47.108  1.64743e+00  1.77334e+00  0.00000e+00 0.00000e+00 1.79361e+01 47.108  9.92505e+00 227.108 0.7561 
1 1 1 18 4  16 o 14 1.10719e+02 2.95084e+01 2.92481e+01 72.697  1.09673e+00  3.52043e+00  0.00000e+00 0.00000e+00 2.97639e+01 72.697  5.15780e-01 72.697  0.8503 
1 1 1 18 4  17 o 13 7.68065e+01 3.12504e+01 2.15674e+01 123.603 -1.17302e+00 1.76535e+00  0.00000e+00 0.00000e+00 1.32134e+01 123.603 8.35406e+00 303.603 0.7165 
1 1 1 18 4  18 o 13 7.16532e+01 2.86719e+01 7.45841e+00 137.270 -5.24203e-01 4.84230e-01  0.00000e+00 0.00000e+00 7.88757e+00 137.270 4.29162e-01 137.270 0.3359 
1 1 1 18 4  19 o 17 1.20662e+02 2.87398e+01 6.84692e+00 171.577 -1.19483e+00 1.76928e-01  0.00000e+00 0.00000e+00 3.31650e+01 171.577 2.63180e+01 171.577 0.5152 
1 1 1 18 4  20 o 1  1.19900e+02 3.00738e+01 2.73023e+01 246.502 -2.01065e+00 -4.62462e+00 0.00000e+00 0.00000e+00 4.23990e+01 246.502 1.50967e+01 246.502 0.8944 
1 1 1 18 5  5  o 19 2.07797e+02 3.39569e+01 5.25242e+01 2.635   6.50598e+00  2.99372e-01  0.00000e+00 0.00000e+00 6.10257e+01 2.635   8.50151e+00 2.635   0.9197 
1 1 1 18 5  6  o 4  8.18598e+01 3.52277e+01 3.85364e+01 7.280   1.83097e+00  2.33916e-01  0.00000e+00 0.00000e+00 5.82000e+00 187.280 4.43564e+01 187.280 0.6708 
1 1 1 18 5  7  o 19 2.77720e+02 2.14731e+01 7.68921e+01 128.836 -8.67277e+00 1.07728e+01  0.00000e+00 0.00000e+00 8.30069e+01 128.836 6.11487e+00 128.836 0.9631 
1 1 1 18 5  8  o 1  1.49931e+02 2.91545e+01 4.49031e+01 88.694  9.78135e-02  4.28925e+00  0.00000e+00 0.00000e+00 3.37124e+01 88.694  1.11907e+01 268.694 0.8738 
1 1 1 18 5  9  o 13 7.33472e+01 2.90079e+01 4.24324e+01 221.381 -1.48141e+00 -1.30518e+00 0.00000e+00 0.00000e+00 1.17779e+01 41.381  5.42103e+01 41.381  0.6935 
1 1 1 18 5  10 o 15 2.08205e+02 2.11696e+01 8.06356e+01 221.890 -9.02812e+00 -8.09753e+00 0.00000e+00 0.00000e+00 4.01234e+01 221.890 4.05122e+01 41.890  0.9578 
1 1 1 18 5  11 o 19 1.64317e+02 2.50189e+01 5.79001e+01 342.843 6.89581e+00  -2.12888e+00 0.00000e+00 0.00000e+00 3.49128e+01 342.843 2.29873e+01 162.843 0.9279 
1 1 1 18 5  12 o 17 6.48652e+01 2.82750e+01 4.69079e+01 34.681  2.08851e+00  1.44514e+00  0.00000e+00 0.00000e+00 1.63563e+01 214.681 6.32641e+01 214.681 0.7693 
1 1 1 18 5  13 o 3  1.03994e+02 3.27886e+01 3.16111e+01 164.492 -2.84075e+00 7.88226e-01  0.00000e+00 0.00000e+00 2.00394e+01 164.492 1.15717e+01 344.492 0.8061 
1 1 1 18 5  14 o 8  8.21892e+01 3.14023e+01 1.37342e+01 80.274  1.68620e-01  9.83777e-01  0.00000e+00 0.00000e+00 8.99221e+00 80.274  4.74196e+00 260.274 0.4457 
1 1 1 18 5  15 o 15 9.66240e+01 3.02101e+01 1.58731e+01 327.593 1.26268e+00  -8.01522e-01 0.00000e+00 0.00000e+00 2.00568e+01 327.593 4.18369e+00 327.593 0.5950 
1 1 1 18 5  16 o 12 6.11769e+01 2.65799e+01 1.16564e+01 149.710 -7.43344e-01 4.34208e-01  0.00000e+00 0.00000e+00 3.56058e+00 149.710 8.09578e+00 329.710 0.3949 
1 1 1 18 5  17 o 11 6.19751e+01 2.68345e+01 1.55172e+01 108.813 -4.41829e-01 1.29687e+00  0.00000e+00 0.00000e+00 6.61597e+00 108.813 8.90125e+00 288.813 0.5623 
1 1 1 18 5  18 o 18 7.86027e+01 2.97833e+01 8.22105e+00 30.416  7.55913e-01  4.43773e-01  0.00000e+00 0.00000e+00 1.19714e+01 30.416  3.75031e+00 30.416  0.4009 
1 1 1 18 5  19 o 9  5.24385e+01 2.42427e+01 1.20723e+01 281.202 2.25836e-01  -1.14034e+00 0.00000e+00 0.00000e+00 4.91859e+00 281.202 7.15371e+00 101.202 0.5010 
1 1 1 18 6  4  o 3  9.73242e+01 3.97338e+01 5.42640e+01 78.304  5.93967e-01  2.86917e+00  0.00000e+00 0.00000e+00 7.56321e+00 258.304 6.18272e+01 258.304 0.8047 
1 1 1 18 6  5  o 4  1.25848e+02 4.05766e+01 3.35819e+01 91.808  -7.29215e-02 2.30994e+00  0.00000e+00 0.00000e+00 2.22885e+01 91.808  1.12934e+01 271.808 0.7428 
1 1 1 18 6  6  o 8  1.07468e+02 3.87013e+01 5.51674e+00 4.768   3.19164e-01  2.66188e-02  0.00000e+00 0.00000e+00 4.66756e+00 4.768   8.49189e-01 184.768 0.1581 
1 1 1 18 6  7  o 16 2.24990e+02 2.35926e+01 7.11578e+01 266.476 -6.24033e-01 -1.01334e+01 0.00000e+00 0.00000e+00 5.72840e+01 266.476 1.38738e+01 86.476  0.9494 
1 1 1 18 6  8  o 18 1.72081e+02 2.75600e+01 2.65732e+01 327.059 2.48171e+00  -1.60803e+00 0.00000e+00 0.00000e+00 5.72221e+01 327.059 3.06489e+01 327.059 0.8068 
1 1 1 18 6  9  o 15 1.31538e+02 2.88305e+01 4.78156e+01 105.146 -1.09970e+00 4.06275e+00  0.00000e+00 0.00000e+00 2.16422e+01 105.146 2.61734e+01 285.146 0.8711 
1 1 1 18 6  10 o 10 1.63622e+02 2.48701e+01 2.95335e+01 212.142 -2.94511e+00 -1.85044e+00 0.00000e+00 0.00000e+00 5.41772e+01 212.142 2.46438e+01 212.142 0.8400 
1 1 1 18 6  11 o 5  5.16785e+01 2.43036e+01 7.64453e+00 261.156 -4.63432e-02 -2.97832e-01 0.00000e+00 0.00000e+00 2.92888e+00 81.156  1.05734e+01 81.156  0.1490 
1 1 1 18 6  12 o 12 5.82766e+01 2.64226e+01 2.14858e+01 120.246 -5.39119e-01 9.24608e-01  0.00000e+00 0.00000e+00 4.58982e+00 300.246 2.60756e+01 300.246 0.4707 
1 1 1 18 6  13 f 0  1.22568e+02 3.13072e+01 3.10765e+01 325.052 2.78071e+00  -1.94332e+00 0.00000e+00 0.00000e+00 3.23761e+01 325.052 1.29957e+00 325.052 0.8353 
1 1 1 18 6  14 o 5  8.23094e+01 3.02783e+01 4.66942e+01 347.216 3.33609e+00  -7.56950e-01 0.00000e+00 0.00000e+00 3.71095e+00 167.216 5.04052e+01 167.216 0.8369 
1 1 1 18 6  15 o 18 8.20533e+01 2.92032e+01 3.39593e+01 116.974 -1.25230e+00 2.46059e+00  0.00000e+00 0.00000e+00 6.82021e+00 116.974 2.71391e+01 296.974 0.7906 
1 1 1 18 6  16 o 7  7.67766e+01 2.92878e+01 2.76072e+01 199.434 -2.21598e+00 -7.81853e-01 0.00000e+00 0.00000e+00 8.75779e+00 199.434 1.88494e+01 19.434  0.7476 
1 1 1 18 6  17 o 5  7.44076e+01 3.01974e+01 1.09441e+01 340.379 9.90850e-01  -3.53241e-01 0.00000e+00 0.00000e+00 1.11346e+01 340.379 1.90460e-01 340.379 0.4645 
1 1 1 18 6  18 o 2  7.34492e+01 2.89180e+01 1.48711e+00 15.464  1.53873e-01  4.25682e-02  0.00000e+00 0.00000e+00 2.27965e+00 15.464  7.92541e-01 15.464  0.0796 
1 1 1 18 6  19 o 13 4.47877e+01 2.16876e+01 1.71227e+01 232.697 -9.15464e-01 -1.20160e+00 0.00000e+00 0.00000e+00 3.22051e-01 232.697 1.68007e+01 52.697  0.5987 
1 1 1 18 7  4  o 17 2.39737e+02 3.31561e+01 8.57423e+01 78.031  2.47103e+00  1.16563e+01  0.00000e+00 0.00000e+00 5.20334e+01 78.031  3.37089e+01 258.031 0.9571 
1 1 1 18 7  5  o 19 2.11201e+02 3.64160e+01 4.63251e+01 139.084 -4.10934e+00 3.56164e+00  0.00000e+00 0.00000e+00 6.84077e+01 139.084 2.20825e+01 139.084 0.9026 
1 1 1 18 7  6  o 16 9.81855e+01 3.89183e+01 4.50111e+01 172.568 -2.48515e+00 3.24185e-01  0.00000e+00 0.00000e+00 3.59285e-01 172.568 4.46518e+01 352.568 0.7657 
1 1 1 18 7  7  o 19 9.89320e+01 3.32835e+01 2.42113e+01 71.693  4.56451e-01  1.37961e+00  0.00000e+00 0.00000e+00 1.07919e+01 71.693  1.34194e+01 251.693 0.5843 
1 1 1 18 7  8  o 1  1.47250e+02 3.19078e+01 5.08166e+01 230.946 -3.04764e+00 -3.75626e+00 0.00000e+00 0.00000e+00 2.87870e+01 230.946 2.20296e+01 50.946  0.8895 
1 1 1 18 7  9  o 5  1.49898e+02 2.65626e+01 5.02419e+01 230.077 -3.42592e+00 -4.09406e+00 0.00000e+00 0.00000e+00 3.21675e+01 230.077 1.80744e+01 50.077  0.9007 
1 1 1 18 7  10 o 11 1.64120e+02 2.58391e+01 6.86800e+01 16.279  8.14365e+00  2.37816e+00  0.00000e+00 0.00000e+00 2.58463e+01 16.279  4.28337e+01 196.279 0.9391 
1 1 1 18 7  11 o 3  1.78226e+02 2.41004e+01 3.06671e+01 36.470  3.89543e+00  2.87928e+00  0.00000e+00 0.00000e+00 6.70958e+01 36.470  3.64287e+01 36.470  0.8896 
1 1 1 18 7  12 o 3  1.13387e+02 3.17860e+01 3.63003e+01 186.861 -3.73776e+00 -4.49760e-01 0.00000e+00 0.00000e+00 2.37401e+01 186.861 1.25603e+01 6.861   0.8538 
1 1 1 18 7  13 o 12 1.49333e+02 2.83840e+01 9.32704e+00 112.491 -4.97102e-01 1.20066e+00  0.00000e+00 0.00000e+00 4.12349e+01 112.491 3.19078e+01 112.491 0.5425 
1 1 1 18 7  14 o 5  1.02930e+02 3.23780e+01 4.99260e+00 250.618 -1.60119e-01 -4.55140e-01 0.00000e+00 0.00000e+00 1.01731e+01 250.618 5.18048e+00 250.618 0.2345 
1 1 1 18 7  15 o 2  7.17377e+01 2.88330e+01 1.71619e+01 241.772 -6.73291e-01 -1.25424e+00 0.00000e+00 0.00000e+00 9.02252e+00 241.772 8.13940e+00 61.773  0.5767 
1 1 1 18 7  16 o 10 8.17388e+01 2.98888e+01 2.07816e+01 33.072  1.88596e+00  1.22815e+00  0.00000e+00 0.00000e+00 1.75401e+01 33.072  3.24151e+00 213.072 0.7349 
1 1 1 18 7  17 f 0  7.60958e+01 2.96974e+01 2.11905e+01 189.391 -2.16984e+00 -3.58871e-01 0.00000e+00 0.00000e+00 1.44419e+01 189.391 6.74864e+00 9.391   0.7279 
1 1 1 18 7  18 o 6  4.82242e+01 2.28547e+01 5.98660e+00 304.287 2.78276e-01  -4.08132e-01 0.00000e+00 0.00000e+00 1.51653e+00 304.287 4.47007e+00 124.287 0.2397 
1 1 1 18 7  19 o 16 8.98257e+01 3.05998e+01 1.78743e+01 9.193   2.40515e+00  3.89245e-01  0.00000e+00 0.00000e+00 2.67212e+01 9.193   8.84686e+00 9.193   0.7579 
1 1 1 18 8  4  o 9  1.21573e+02 4.10110e+01 1.83728e+01 310.002 7.52281e-01  -8.96459e-01 0.00000e+00 0.00000e+00 1.86770e+01 310.002 3.04199e-01 310.002 0.5035 
1 1 1 18 8  5  o 1  6.46789e+01 3.02561e+01 1.72925e+01 294.417 2.92160e-01  -6.43568e-01 0.00000e+00 0.00000e+00 4.22539e+00 114.417 2.15179e+01 114.417 0.3330 
1 1 1 18 8  6  o 18 2.37022e+02 3.58319e+01 4.83926e+01 319.579 5.13400e+00  -4.37258e+00 0.00000e+00 0.00000e+00 8.46332e+01 319.579 3.62407e+01 319.579 0.9226 
1 1 1 18 8  7  o 1  1.65737e+02 2.79680e+01 2.87416e+01 121.983 -1.71311e+00 2.74335e+00  0.00000e+00 0.00000e+00 5.48066e+01 121.983 2.60650e+01 121.983 0.8259 
1 1 1 18 8  9  o 16 1.02106e+02 3.22391e+01 1.75360e+01 210.740 -1.06956e+00 -6.36061e-01 0.00000e+00 0.00000e+00 1.55305e+01 210.740 2.00548e+00 30.740  0.5263 
1 1 1 18 8  10 o 3  2.19471e+02 2.52304e+01 5.28865e+01 359.912 1.01693e+01  -1.55615e-02 0.00000e+00 0.00000e+00 7.59467e+01 359.912 2.30602e+01 359.912 0.9495 
1 1 1 18 8  11 o 5  9.24654e+01 3.24691e+01 6.18993e+00 9.911   5.11014e-01  8.92892e-02  0.00000e+00 0.00000e+00 8.23671e+00 9.911   2.04678e+00 9.911   0.2510 
1 1 1 18 8  12 o 12 8.36584e+01 3.15071e+01 2.85512e+01 251.072 -6.88258e-01 -2.00708e+00 0.00000e+00 0.00000e+00 8.93662e+00 251.072 1.96146e+01 71.072  0.7168 
1 1 1 18 8  13 o 7  7.92816e+01 3.11600e+01 1.46239e+01 303.856 5.67298e-01  -8.45641e-01 0.00000e+00 0.00000e+00 7.96192e+00 303.856 6.66201e+00 123.856 0.4528 
1 1 1 18 8  14 o 15 1.16585e+02 3.19255e+01 2.50654e+01 108.963 -1.03184e+00 3.00306e+00  0.00000e+00 0.00000e+00 3.56472e+01 108.963 1.05818e+01 108.963 0.8222 
1 1 1 18 8  15 o 8  8.53492e+01 2.98860e+01 2.51555e+01 154.678 -2.12987e+00 1.00778e+00  0.00000e+00 0.00000e+00 1.56010e+01 154.678 9.55451e+00 334.678 0.7484 
1 1 1 18 8  16 o 10 7.19913e+01 2.87125e+01 1.58092e+01 83.523  1.72418e-01  1.51882e+00  0.00000e+00 0.00000e+00 1.21119e+01 83.523  3.69723e+00 263.523 0.6031 
1 1 1 18 8  17 o 5  8.46541e+01 3.01684e+01 1.99223e+01 347.911 2.21354e+00  -4.74076e-01 0.00000e+00 0.00000e+00 2.05149e+01 347.911 5.92598e-01 347.911 0.7367 
1 1 1 18 8  18 o 9  6.18946e+01 2.69039e+01 1.84158e+01 258.834 -3.74980e-01 -1.89978e+00 0.00000e+00 0.00000e+00 9.40320e+00 258.834 9.01261e+00 78.834  0.6871 
1 1 1 18 9  4  o 18 8.57813e+01 3.62058e+01 2.64548e+01 232.219 -8.15393e-01 -1.05192e+00 0.00000e+00 0.00000e+00 2.44019e+00 232.219 2.40146e+01 52.219  0.5515 
1 1 1 18 9  5  o 13 1.90305e+02 3.89159e+01 4.75845e+01 243.288 -2.40779e+00 -4.78489e+00 0.00000e+00 0.00000e+00 5.73900e+01 243.288 9.80554e+00 243.288 0.9010 
1 1 1 18 9  6  o 15 7.33298e+01 3.36614e+01 2.28389e+01 45.509  7.42903e-01  7.56227e-01  0.00000e+00 0.00000e+00 1.80369e+00 225.509 2.46426e+01 225.509 0.4673 
1 1 1 18 9  7  o 5  1.36966e+02 3.29674e+01 2.46031e+01 205.583 -1.99570e+00 -9.55446e-01 0.00000e+00 0.00000e+00 3.69596e+01 205.583 1.23565e+01 205.583 0.7298 
1 1 1 18 9  8  o 16 1.10974e+02 3.14891e+01 2.56981e+01 295.313 8.57458e-01  -1.81288e+00 0.00000e+00 0.00000e+00 2.22363e+01 295.313 3.46178e+00 115.313 0.6987 
1 1 1 18 9  9  o 7  1.74594e+02 2.40277e+01 4.88749e+01 54.022  4.47543e+00  6.16486e+00  0.00000e+00 0.00000e+00 5.21422e+01 54.022  3.26735e+00 54.022  0.9318 
1 1 1 18 9  10 o 16 1.07414e+02 3.21708e+01 4.01350e+01 127.460 -2.39460e+00 3.12518e+00  0.00000e+00 0.00000e+00 1.75677e+01 127.460 2.25673e+01 307.460 0.8611 
1 1 1 18 9  11 f 0  1.62417e+02 2.64598e+01 5.04228e+01 250.561 -2.64423e+00 -7.49256e+00 0.00000e+00 0.00000e+00 4.47997e+01 250.561 5.62315e+00 70.561  0.9348 
1 1 1 18 9  12 o 3  8.04555e+01 3.11550e+01 3.09131e+01 358.484 2.19154e+00  -5.79933e-02 0.00000e+00 0.00000e+00 5.98333e+00 358.484 2.49298e+01 178.484 0.7270 
1 1 1 18 9  13 o 2  6.77650e+01 2.90266e+01 1.32894e+01 227.177 -6.12339e-01 -6.60733e-01 0.00000e+00 0.00000e+00 4.35532e+00 227.177 8.93404e+00 47.177  0.4102 
1 1 1 18 9  14 o 2  7.11281e+01 2.96683e+01 1.97418e+01 165.804 -1.50708e+00 3.81231e-01  0.00000e+00 0.00000e+00 7.96018e+00 165.804 1.17816e+01 345.804 0.6093 
1 1 1 18 9  15 o 13 1.06251e+02 3.34100e+01 3.35758e+01 73.911  1.19653e+00  4.14835e+00  0.00000e+00 0.00000e+00 2.62639e+01 73.911  7.31191e+00 253.910 0.8747 
1 1 1 18 9  16 o 2  7.06606e+01 2.83417e+01 1.18339e+01 183.632 -1.18015e+00 -7.49102e-02 0.00000e+00 0.00000e+00 1.14287e+01 183.632 4.05253e-01 3.632   0.5073 
1 1 1 18 9  17 o 15 5.62360e+01 2.54163e+01 2.24437e+01 306.200 1.19598e+00  -1.63408e+00 0.00000e+00 0.00000e+00 3.38198e+00 306.200 1.90617e+01 126.200 0.7018 
1 1 1 18 9  18 o 17 1.14556e+02 2.93690e+01 2.53036e+01 333.978 4.10684e+00  -2.00498e+00 0.00000e+00 0.00000e+00 4.14223e+01 333.978 1.61187e+01 333.978 0.8824 
1 1 1 18 10 3  o 4  1.38405e+02 4.16076e+01 1.89140e+01 221.502 -1.11573e+00 -9.87168e-01 0.00000e+00 0.00000e+00 3.16884e+01 221.502 1.27744e+01 221.502 0.5936 
1 1 1 18 10 4  f 0  7.03009e+01 3.20796e+01 7.92063e+00 166.800 -3.62498e-01 8.50237e-02  0.00000e+00 0.00000e+00 1.80362e-02 166.800 7.90259e+00 346.800 0.1830 
1 1 1 18 10 5  o 15 8.82498e+01 3.72652e+01 6.55323e+00 63.531  1.59976e-01  3.21291e-01  0.00000e+00 0.00000e+00 3.08644e+00 63.531  3.46680e+00 243.531 0.1766 
1 1 1 18 10 6  o 10 1.10912e+02 4.26165e+01 4.76188e+01 112.935 -1.23158e+00 2.91063e+00  0.00000e+00 0.00000e+00 8.86335e+00 112.935 3.87555e+01 292.935 0.8212 
1 1 1 18 10 7  o 11 7.75994e+01 3.17763e+01 1.49831e+01 187.672 -8.07353e-01 -1.08753e-01 0.00000e+00 0.00000e+00 3.21333e+00 187.672 1.17697e+01 7.672   0.3769 
1 1 1 18 10 8  o 3  1.90264e+02 2.42441e+01 5.20049e+01 332.120 7.79725e+00  -4.12495e+00 0.00000e+00 0.00000e+00 5.98690e+01 332.120 7.86407e+00 332.120 0.9415 
1 1 1 18 10 9  o 16 9.10409e+01 3.20925e+01 2.79901e+01 34.896  1.91340e+00  1.33460e+00  0.00000e+00 0.00000e+00 1.45815e+01 34.896  1.34086e+01 214.896 0.7455 
1 1 1 18 10 10 o 1  1.17955e+02 3.91803e+01 3.14231e+01 176.795 -2.86565e+00 1.60476e-01  0.00000e+00 0.00000e+00 2.80411e+01 176.795 3.38195e+00 356.795 0.7999 
1 1 1 18 10 11 o 18 1.45969e+02 2.88411e+01 3.28121e+01 255.498 -1.10260e+00 -4.26295e+00 0.00000e+00 0.00000e+00 4.83340e+01 255.498 1.55219e+01 255.498 0.8774 
1 1 1 18 10 12 o 18 7.86613e+01 3.09898e+01 1.92839e+01 75.004  3.79530e-01  1.41680e+00  0.00000e+00 0.00000e+00 1.01817e+01 75.004  9.10223e+00 255.004 0.5878 
1 1 1 18 10 13 o 2  7.17812e+01 2.97569e+01 3.09205e+01 82.765  3.18082e-01  2.50562e+00  0.00000e+00 0.00000e+00 4.42203e+00 82.765  2.64985e+01 262.765 0.7678 
1 1 1 18 10 14 o 13 7.34028e+01 3.00532e+01 1.21980e+01 187.567 -1.17487e+00 -1.56078e-01 0.00000e+00 0.00000e+00 1.18865e+01 187.567 3.11486e-01 7.567   0.5082 
1 1 1 18 10 15 o 16 9.70680e+01 3.32659e+01 9.99804e+00 349.921 1.14220e+00  -2.03036e-01 0.00000e+00 0.00000e+00 2.15851e+01 349.921 1.15871e+01 349.921 0.5003 
1 1 1 18 10 16 o 2  5.80071e+01 2.60085e+01 1.78362e+01 284.356 4.06806e-01  -1.58948e+00 0.00000e+00 0.00000e+00 6.08298e+00 284.356 1.17532e+01 104.356 0.6290 
1 1 1 18 10 17 o 5  1.04111e+02 3.08855e+01 2.65177e+01 254.226 -1.13347e+00 -4.01255e+00 0.00000e+00 0.00000e+00 3.33355e+01 254.226 6.81782e+00 254.226 0.8697 
1 1 1 18 11 3  o 18 6.57251e+01 3.04780e+01 1.50600e+01 106.192 -1.87934e-01 6.47219e-01  0.00000e+00 0.00000e+00 1.99307e+00 286.192 1.70531e+01 286.192 0.3192 
1 1 1 18 11 4  o 1  1.76795e+02 3.84676e+01 3.40350e+01 293.045 1.50444e+00  -3.53656e+00 0.00000e+00 0.00000e+00 6.05284e+01 293.045 2.64933e+01 293.045 0.8572 
1 1 1 18 11 5  o 19 9.28172e+01 3.84108e+01 2.07867e+01 233.409 -7.33077e-01 -9.87405e-01 0.00000e+00 0.00000e+00 9.50847e+00 233.409 1.12783e+01 53.409  0.5219 
1 1 1 18 11 6  o 5  1.69499e+02 4.26647e+01 4.91378e+01 108.952 -1.79977e+00 5.24131e+00  0.00000e+00 0.00000e+00 4.70180e+01 108.952 2.11985e+00 288.951 0.9046 
1 1 1 18 11 7  o 3  1.40985e+02 2.81287e+01 2.42497e+01 352.950 2.86273e+00  -3.54038e-01 0.00000e+00 0.00000e+00 4.68098e+01 352.950 2.25601e+01 352.950 0.8011 
1 1 1 18 11 8  o 5  8.95841e+01 3.13996e+01 1.39348e+01 233.153 -6.94060e-01 -9.26172e-01 0.00000e+00 0.00000e+00 1.43193e+01 233.153 3.84514e-01 233.153 0.4994 
1 1 1 18 11 9  f 0  1.01924e+02 3.24394e+01 2.67994e+01 187.046 -2.38078e+00 -2.94273e-01 0.00000e+00 0.00000e+00 2.19154e+01 187.046 4.88394e+00 7.046   0.7535 
1 1 1 18 11 10 o 18 1.56906e+02 2.69071e+01 6.90506e+01 299.609 5.09050e+00  -8.95771e+00 0.00000e+00 0.00000e+00 2.59656e+01 299.609 4.30850e+01 119.609 0.9502 
1 1 1 18 11 11 o 4  8.47503e+01 3.14897e+01 2.01953e+01 359.281 1.64180e+00  -2.06138e-02 0.00000e+00 0.00000e+00 1.39766e+01 359.281 6.21876e+00 179.281 0.6293 
1 1 1 18 11 12 o 19 1.75556e+02 2.50359e+01 5.33441e+01 120.159 -5.92836e+00 1.02026e+01  0.00000e+00 0.00000e+00 5.48855e+01 120.159 1.54138e+00 120.159 0.9566 
1 1 1 18 11 13 o 12 5.90448e+01 2.67358e+01 2.67664e+01 142.793 -1.81653e+00 1.37918e+00  0.00000e+00 0.00000e+00 1.52689e+00 142.793 2.52395e+01 322.793 0.7389 
1 1 1 18 11 14 o 12 1.09449e+02 3.22330e+01 2.55601e+01 9.756   3.39194e+00  5.83233e-01  0.00000e+00 0.00000e+00 3.43269e+01 9.756   8.76683e+00 9.756   0.8380 
1 1 1 18 11 15 o 17 6.67869e+01 2.90040e+01 1.31427e+01 289.253 4.23922e-01  -1.21371e+00 0.00000e+00 0.00000e+00 1.05127e+01 289.253 2.62991e+00 109.253 0.5385 
1 1 1 18 11 16 o 10 6.36073e+01 2.82045e+01 2.15372e+01 262.499 -2.92934e-01 -2.22471e+00 0.00000e+00 0.00000e+00 9.41320e+00 262.499 1.21240e+01 82.499  0.7340 
1 1 1 18 12 3  o 1  1.41774e+02 4.11778e+01 2.23307e+01 105.862 -5.92112e-01 2.08387e+00  0.00000e+00 0.00000e+00 4.23283e+01 105.862 1.99975e+01 105.862 0.7233 
1 1 1 18 12 4  o 19 6.64870e+01 3.07876e+01 1.75020e+01 224.793 -6.72244e-01 -6.67404e-01 0.00000e+00 0.00000e+00 4.47715e-01 224.793 1.70543e+01 44.793  0.4274 
1 1 1 18 12 5  o 17 8.50985e+01 3.66230e+01 1.37002e+01 38.018  7.75509e-01  6.06282e-01  0.00000e+00 0.00000e+00 1.00498e+01 38.018  3.65046e+00 218.018 0.4408 
1 1 1 18 12 6  o 12 6.51004e+01 3.07909e+01 1.78450e+01 316.070 7.86664e-01  -7.57808e-01 0.00000e+00 0.00000e+00 1.91644e+00 316.070 1.59285e+01 136.070 0.4781 
1 1 1 18 12 7  o 3  5.68076e+01 2.58577e+01 4.53975e+00 92.376  -1.05635e-02 2.54629e-01  0.00000e+00 0.00000e+00 3.38578e-02 92.376  4.50589e+00 272.376 0.1264 
1 1 1 18 12 8  o 12 8.53279e+01 3.12846e+01 4.39485e+01 81.437  4.95569e-01  3.29115e+00  0.00000e+00 0.00000e+00 1.41989e+00 81.437  4.25286e+01 261.437 0.8316 
1 1 1 18 12 9  o 3  1.25026e+02 2.97587e+01 3.22084e+01 186.529 -3.62874e+00 -4.15309e-01 0.00000e+00 0.00000e+00 3.59240e+01 186.529 3.71560e+00 186.529 0.8487 
1 1 1 18 12 10 o 18 1.40695e+02 2.77920e+01 3.10032e+01 248.713 -1.63075e+00 -4.18544e+00 0.00000e+00 0.00000e+00 4.88874e+01 248.713 1.78842e+01 248.713 0.8801 
1 1 1 18 12 11 o 19 7.27453e+01 2.94760e+01 3.32233e+00 240.597 -1.32742e-01 -2.35547e-01 0.00000e+00 0.00000e+00 2.99876e+00 240.597 3.23573e-01 60.597  0.1340 
1 1 1 18 12 12 o 10 1.44155e+02 2.88164e+01 2.50599e+01 75.519  1.23805e+00  4.79375e+00  0.00000e+00 0.00000e+00 5.88506e+01 75.519  3.37907e+01 75.519  0.8922 
1 1 1 18 12 13 o 19 4.95188e+01 2.36317e+01 2.10373e+01 355.179 1.58663e+00  -1.33827e-01 0.00000e+00 0.00000e+00 9.41997e-01 175.179 2.19793e+01 175.179 0.6181 
1 1 1 18 12 14 o 15 7.37740e+01 2.98414e+01 1.31419e+01 31.676  1.12182e+00  6.92210e-01  0.00000e+00 0.00000e+00 1.35750e+01 31.676  4.33112e-01 31.676  0.5479 
1 1 1 18 12 15 o 6  5.27896e+01 2.48535e+01 1.91809e+01 212.757 -1.54775e+00 -9.95800e-01 0.00000e+00 0.00000e+00 4.36080e+00 212.757 1.48201e+01 32.757  0.6697 
1 1 1 18 12 16 o 17 7.42568e+01 3.07715e+01 1.32438e+01 201.629 -1.38023e+00 -5.47287e-01 0.00000e+00 0.00000e+00 1.62741e+01 201.629 3.03024e+00 201.629 0.5923 
1 1 1 18 13 2  o 5  1.41390e+02 4.33454e+01 3.84249e+01 235.765 -2.25283e+00 -3.31060e+00 0.00000e+00 0.00000e+00 3.95117e+01 235.765 1.08683e+00 235.765 0.8637 
1 1 1 18 13 3  o 17 9.86642e+01 3.90224e+01 1.79536e+01 280.528 2.59967e-01  -1.39888e+00 0.00000e+00 0.00000e+00 1.83915e+01 280.528 4.37886e-01 280.528 0.5765 
1 1 1 18 13 4  o 7  1.42052e+02 4.14337e+01 2.55198e+01 40.497  2.05330e+00  1.75350e+00  0.00000e+00 0.00000e+00 4.58741e+01 40.497  2.03543e+01 40.497  0.7851 
1 1 1 18 13 5  o 3  1.32665e+02 4.24546e+01 3.60918e+01 94.261  -2.58974e-01 3.47615e+00  0.00000e+00 0.00000e+00 3.54377e+01 94.261  6.54083e-01 274.261 0.8404 
1 1 1 18 13 6  f 0  8.45509e+01 3.66895e+01 4.17194e+01 324.517 2.31236e+00  -1.64835e+00 0.00000e+00 0.00000e+00 1.65800e+00 324.517 4.00614e+01 144.517 0.7974 
1 1 1 18 13 7  o 12 2.72285e+02 2.25122e+01 4.79478e+01 240.888 -6.50775e+00 -1.16866e+01 0.00000e+00 0.00000e+00 1.21108e+02 240.888 7.31600e+01 240.888 0.9619 
1 1 1 18 13 8  o 7  6.70451e+01 2.84000e+01 3.18909e+01 143.829 -1.76616e+00 1.29124e+00  0.00000e+00 0.00000e+00 3.38279e-01 323.829 3.22292e+01 323.829 0.7263 
1 1 1 18 13 9  o 2  1.96155e+02 2.22522e+01 5.39944e+01 351.251 1.40586e+01  -2.16349e+00 0.00000e+00 0.00000e+00 6.90765e+01 351.251 1.50821e+01 351.251 0.9642 
1 1 1 18 13 10 o 2  6.41885e+01 2.77302e+01 2.69351e+01 44.835  1.42370e+00  1.41550e+00  0.00000e+00 0.00000e+00 2.40254e+00 44.835  2.45326e+01 224.835 0.6990 
1 1 1 18 13 11 o 12 8.21313e+01 3.11587e+01 4.94744e+01 138.330 -3.91230e+00 3.48211e+00  0.00000e+00 0.00000e+00 9.61281e-01 318.330 5.04357e+01 318.330 0.8986 
1 1 1 18 13 12 o 19 6.04024e+01 2.68859e+01 2.44773e+01 202.460 -1.93117e+00 -7.98333e-01 0.00000e+00 0.00000e+00 3.95485e+00 202.460 2.05224e+01 22.460  0.7120 
1 1 1 18 13 13 o 1  8.42636e+01 3.16269e+01 3.96166e+01 328.405 3.68572e+00  -2.26701e+00 0.00000e+00 0.00000e+00 9.43936e+00 328.405 3.01772e+01 148.405 0.8750 
1 1 1 18 13 14 o 9  6.69306e+01 2.87240e+01 1.29446e+01 356.431 1.39746e+00  -8.71620e-02 0.00000e+00 0.00000e+00 1.26324e+01 356.431 3.12245e-01 176.431 0.5705 
1 1 1 18 13 15 o 14 8.55337e+01 3.16857e+01 1.93129e+01 179.864 -2.42530e+00 5.74409e-03  0.00000e+00 0.00000e+00 2.43571e+01 179.864 5.04421e+00 179.864 0.7566 
1 1 1 18 14 2  o 5  1.13125e+02 4.02961e+01 2.95685e+01 218.371 -1.97282e+00 -1.56204e+00 0.00000e+00 0.00000e+00 2.65928e+01 218.371 2.97567e+00 38.371  0.7668 
1 1 1 18 14 3  o 2  1.69192e+02 4.01668e+01 5.18861e+01 248.374 -2.43654e+00 -6.14583e+00 0.00000e+00 0.00000e+00 4.91233e+01 248.374 2.76281e+00 68.374  0.9209 
1 1 1 18 14 4  o 5  6.45180e+01 3.04521e+01 3.24874e+01 112.621 -7.27768e-01 1.74653e+00  0.00000e+00 0.00000e+00 4.02773e+00 292.621 3.65151e+01 292.621 0.6792 
1 1 1 18 14 5  o 8  1.23752e+02 4.23146e+01 1.95398e+01 139.842 -1.43006e+00 1.20668e+00  0.00000e+00 0.00000e+00 3.48669e+01 139.842 1.53271e+01 139.842 0.6754 
1 1 1 18 14 6  o 5  7.39787e+01 3.09170e+01 1.67451e+01 52.811  7.31277e-01  9.63814e-01  0.00000e+00 0.00000e+00 8.16202e+00 52.811  8.58310e+00 232.811 0.5158 
1 1 1 18 14 7  o 5  4.81542e+01 2.30022e+01 2.76538e+00 48.897  1.16296e-01  1.33299e-01  0.00000e+00 0.00000e+00 1.29317e-02 48.897  2.75244e+00 228.897 0.0881 
1 1 1 18 14 8  o 15 1.00610e+02 3.09686e+01 2.76673e+01 254.689 -7.98835e-01 -2.91776e+00 0.00000e+00 0.00000e+00 2.60222e+01 254.689 1.64516e+00 74.689  0.8118 
1 1 1 18 14 9  o 2  5.83810e+01 2.61414e+01 1.68771e+01 282.871 3.23614e-01  -1.41632e+00 0.00000e+00 0.00000e+00 5.64037e+00 282.871 1.12367e+01 102.871 0.5843 
1 1 1 18 14 10 o 13 5.58680e+01 2.56872e+01 1.92680e+01 117.532 -7.28844e-01 1.39816e+00  0.00000e+00 0.00000e+00 3.50605e+00 117.532 1.57619e+01 297.532 0.6145 
1 1 1 18 14 11 o 12 7.31503e+01 2.98134e+01 1.60564e+01 49.132  1.05233e+00  1.21623e+00  0.00000e+00 0.00000e+00 1.42746e+01 49.132  1.78175e+00 229.132 0.6218 
1 1 1 18 14 12 o 15 6.03980e+01 2.68500e+01 2.87601e+01 348.978 2.65950e+00  -5.18026e-01 0.00000e+00 0.00000e+00 3.08069e+00 348.978 2.56794e+01 168.978 0.7860 
1 1 1 18 14 13 o 9  5.50079e+01 2.54525e+01 1.44060e+01 91.909  -4.72122e-02 1.41639e+00  0.00000e+00 0.00000e+00 6.94244e+00 91.909  7.46356e+00 271.909 0.5750 
1 1 1 18 14 14 o 5  8.41088e+01 3.15581e+01 2.16114e+01 172.984 -2.65811e+00 3.27140e-01  0.00000e+00 0.00000e+00 2.31477e+01 172.984 1.53638e+00 172.984 0.7831 
1 1 1 18 15 2  o 18 8.38579e+01 3.57099e+01 2.88654e+01 41.095  1.61931e+00  1.41235e+00  0.00000e+00 0.00000e+00 1.08770e+01 41.095  1.79883e+01 221.095 0.7207 
1 1 1 18 15 4  o 15 1.08857e+02 4.12876e+01 2.36660e+01 169.543 -2.22681e+00 4.10997e-01  0.00000e+00 0.00000e+00 2.92299e+01 169.543 5.56387e+00 169.543 0.7368 
1 1 1 18 15 5  o 15 1.28634e+02 3.43060e+01 2.55723e+01 232.216 -2.08621e+00 -2.69110e+00 0.00000e+00 0.00000e+00 4.55138e+01 232.216 1.99416e+01 232.216 0.8360 
1 1 1 18 15 6  o 18 8.32268e+01 3.11694e+01 1.36504e+01 135.464 -8.76751e-01 8.62659e-01  0.00000e+00 0.00000e+00 1.51465e+01 135.464 1.49609e+00 135.464 0.5220 
1 1 1 18 15 7  o 2  7.64555e+01 3.04710e+01 1.72871e+01 345.053 1.68381e+00  -4.49520e-01 0.00000e+00 0.00000e+00 1.57981e+01 345.053 1.48901e+00 165.053 0.6507 
1 1 1 18 15 8  o 8  6.90523e+01 2.87810e+01 2.75473e+01 338.664 2.43378e+00  -9.50664e-01 0.00000e+00 0.00000e+00 8.25847e+00 338.664 1.92888e+01 158.664 0.7767 
1 1 1 18 15 9  o 13 4.67708e+01 2.24821e+01 2.18548e+01 129.919 -1.03808e+00 1.24069e+00  0.00000e+00 0.00000e+00 2.29072e+00 309.919 2.41455e+01 309.919 0.6239 
1 1 1 18 15 10 o 16 1.03818e+02 3.22255e+01 1.61670e+01 142.334 -1.69879e+00 1.31137e+00  0.00000e+00 0.00000e+00 3.42139e+01 142.334 1.80469e+01 142.334 0.7204 
1 1 1 18 15 11 o 17 7.03578e+01 2.86890e+01 2.20703e+01 307.712 1.40452e+00  -1.81642e+00 0.00000e+00 0.00000e+00 1.32318e+01 307.712 8.83845e+00 127.712 0.7409 
1 1 1 18 15 12 o 6  6.40290e+01 2.81930e+01 3.35019e+01 309.072 2.21806e+00  -2.73205e+00 0.00000e+00 0.00000e+00 3.22641e+00 309.072 3.02754e+01 129.072 0.8421 
1 1 1 18 16 1  o 7  1.07744e+02 3.99580e+01 5.43703e+01 205.483 -4.67755e+00 -2.22942e+00 0.00000e+00 0.00000e+00 1.02213e+01 205.483 4.41490e+01 25.483  0.8974 
1 1 1 18 16 2  o 19 7.03722e+01 3.20008e+01 6.02290e+00 15.688  4.34071e-01  1.21914e-01  0.00000e+00 0.00000e+00 4.32183e+00 15.688  1.70106e+00 195.688 0.2199 
1 1 1 18 16 3  o 15 1.00645e+02 3.89036e+01 3.49677e+01 66.289  1.28054e+00  2.91566e+00  0.00000e+00 0.00000e+00 2.04586e+01 66.289  1.45091e+01 246.289 0.8227 
1 1 1 18 16 4  o 14 6.52805e+01 3.04710e+01 2.25760e+01 300.201 9.78193e-01  -1.68061e+00 0.00000e+00 0.00000e+00 7.55973e+00 300.201 1.50163e+01 120.201 0.6885 
1 1 1 18 16 5  o 12 1.21667e+02 3.53221e+01 3.12383e+01 345.739 4.24873e+00  -1.07994e+00 0.00000e+00 0.00000e+00 4.04569e+01 345.739 9.21852e+00 345.739 0.8768 
1 1 1 18 16 6  o 7  7.12498e+01 2.96472e+01 3.40628e+01 142.336 -2.54805e+00 1.96682e+00  0.00000e+00 0.00000e+00 5.54874e+00 142.336 2.85141e+01 322.336 0.8249 
1 1 1 18 16 7  o 10 6.11338e+01 2.71812e+01 2.38669e+01 233.596 -1.22100e+00 -1.65589e+00 0.00000e+00 0.00000e+00 5.35591e+00 233.596 1.85110e+01 53.596  0.7070 
1 1 1 18 16 8  o 10 1.04785e+02 3.15917e+01 2.01624e+01 292.363 1.04706e+00  -2.54500e+00 0.00000e+00 0.00000e+00 3.60088e+01 292.363 1.58464e+01 292.363 0.7898 
1 1 1 18 16 9  o 2  5.41914e+01 2.46817e+01 1.82891e+01 146.808 -1.37823e+00 9.01615e-01  0.00000e+00 0.00000e+00 4.99703e+00 146.808 1.32921e+01 326.808 0.6304 
1 1 1 18 16 10 o 2  5.86456e+01 2.63806e+01 1.22936e+01 16.017  1.20740e+00  3.46601e-01  0.00000e+00 0.00000e+00 8.98758e+00 16.017  3.30606e+00 196.017 0.5298 
1 1 1 18 16 11 o 10 6.99873e+01 2.91155e+01 2.29722e+01 330.558 2.23392e+00  -1.26090e+00 0.00000e+00 0.00000e+00 1.42246e+01 330.558 8.74766e+00 150.558 0.7719 
1 1 1 18 17 1  o 17 6.55721e+01 3.06924e+01 4.89214e+00 322.935 3.30391e-01  -2.49557e-01 0.00000e+00 0.00000e+00 4.14473e+00 322.935 7.47411e-01 142.935 0.2027 
1 1 1 18 17 2  o 6  7.68890e+01 3.41706e+01 3.36919e+01 45.034  2.14842e+00  2.15095e+00  0.00000e+00 0.00000e+00 8.83416e+00 45.034  2.48577e+01 225.034 0.8129 
1 1 1 18 17 3  o 19 7.42122e+01 3.30603e+01 3.27804e+01 202.371 -2.71757e+00 -1.11851e+00 0.00000e+00 0.00000e+00 7.93497e+00 202.371 2.48455e+01 22.371  0.8054 
1 1 1 18 17 4  o 13 8.03696e+01 3.46139e+01 2.29924e+01 287.603 6.70631e-01  -2.11369e+00 0.00000e+00 0.00000e+00 1.70708e+01 287.603 5.92160e+00 107.603 0.7304 
1 1 1 18 17 5  o 11 1.17857e+02 4.26053e+01 3.53288e+01 54.680  2.30078e+00  3.24704e+00  0.00000e+00 0.00000e+00 3.42187e+01 54.680  1.11008e+00 234.680 0.8627 
1 1 1 18 17 6  o 5  5.57954e+01 2.57003e+01 1.57155e+01 247.549 -5.42865e-01 -1.31376e+00 0.00000e+00 0.00000e+00 6.33230e+00 247.549 9.38319e+00 67.549  0.5761 
1 1 1 18 17 7  f 0  1.20946e+02 3.08945e+01 1.72727e+01 231.824 -1.79326e+00 -2.28080e+00 0.00000e+00 0.00000e+00 4.95107e+01 231.824 3.22380e+01 231.824 0.8024 
1 1 1 18 17 8  o 5  8.03270e+01 3.05365e+01 2.98392e+01 91.888  -1.20513e-01 3.65647e+00  0.00000e+00 0.00000e+00 1.72666e+01 91.888  1.25727e+01 271.888 0.8490 
1 1 1 18 17 9  o 15 6.97022e+01 3.12551e+01 9.65647e+00 95.605  -9.79815e-02 9.98398e-01  0.00000e+00 0.00000e+00 1.19828e+01 95.605  2.32631e+00 95.605  0.4475 
1 1 1 18 18 1  o 3  5.19281e+01 2.54165e+01 1.42995e+01 0.639   1.21465e+00  1.35412e-02  0.00000e+00 0.00000e+00 4.30783e+00 0.639   9.99172e+00 180.639 0.5173 
1 1 1 18 18 2  o 6  8.47488e+01 3.58382e+01 1.27967e+01 339.615 1.22037e+00  -4.53492e-01 0.00000e+00 0.00000e+00 1.91157e+01 339.615 6.31903e+00 339.615 0.5432 
1 1 1 18 18 3  o 2  6.50759e+01 3.03843e+01 1.60555e+01 262.246 -1.98904e-01 -1.46075e+00 0.00000e+00 0.00000e+00 1.05794e+01 262.246 5.47616e+00 82.246  0.5897 
1 1 1 18 18 4  o 13 7.97845e+01 3.48505e+01 2.47817e+01 42.552  1.93711e+00  1.77830e+00  0.00000e+00 0.00000e+00 1.83982e+01 42.552  6.38352e+00 222.552 0.7784 
1 1 1 18 18 5  o 18 8.99953e+01 3.73953e+01 1.59215e+01 206.746 -1.56492e+00 -7.88632e-01 0.00000e+00 0.00000e+00 2.50081e+01 206.746 9.08656e+00 206.746 0.6526 
1 1 1 18 18 6  o 2  8.49916e+01 3.42476e+01 1.73284e+01 206.021 -1.79157e+00 -8.74611e-01 0.00000e+00 0.00000e+00 2.40523e+01 206.021 6.72382e+00 206.021 0.6967 
1 1 1 18 18 7  o 6  5.92113e+01 2.66660e+01 5.69792e+00 80.988  9.12376e-02  5.75300e-01  0.00000e+00 0.00000e+00 5.90720e+00 80.988  2.09283e-01 80.988  0.2796 
1 1 1 18 19 0  o 11 6.53524e+01 4.07224e+01 4.61414e+00 0.000   2.43454e-01  0.00000e+00  0.00000e+00 0.00000e+00 6.40626e+00 0.000   1.79211e+00 0.000   0.2388 
1 1 1 18 19 1  o 19 6.76076e+01 3.11563e+01 2.41466e+01 22.349  2.25535e+00  9.27224e-01  0.00000e+00 0.00000e+00 1.20641e+01 22.349  1.20825e+01 202.349 0.7581 
1 1 1 18 19 2  o 12 5.45378e+01 2.64762e+01 1.18890e+01 231.054 -7.09321e-01 -8.77620e-01 0.00000e+00 0.00000e+00 7.00641e+00 231.054 4.88263e+00 51.054  0.4900 
1 1 1 19 0  1  o 8  8.94438e+01 4.79213e+01 6.26457e+01 90.000  1.01855e-16  1.66342e+00  0.00000e+00 0.00000e+00 1.86503e+01 270.000 8.12960e+01 270.000 0.9307 
1 1 1 19 0  2  o 2  1.10183e+02 4.90907e+01 9.35604e+01 0.000   3.03022e+00  0.00000e+00  0.00000e+00 0.00000e+00 3.55540e+01 180.000 1.29114e+02 180.000 0.9953 
1 1 1 19 0  3  o 13 5.49011e+01 3.60356e+01 2.12827e+01 90.000  2.29791e-17  3.75277e-01  0.00000e+00 0.00000e+00 1.08566e+01 270.000 3.21392e+01 270.000 0.3586 
1 1 1 19 0  4  o 13 2.89768e+02 3.09985e+01 9.09682e+01 180.000 -9.25688e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.27592e+01 180.000 2.82090e+01 0.000   1.0000 
1 1 1 19 0  5  o 4  1.92787e+02 3.92649e+01 6.01140e+01 270.000 -2.35691e-16 -3.84912e+00 0.00000e+00 0.00000e+00 4.23025e+01 270.000 1.78115e+01 90.000  0.9991 
1 1 1 19 0  6  o 4  2.14791e+02 3.71762e+01 4.84131e+01 0.000   4.06570e+00  0.00000e+00  0.00000e+00 0.00000e+00 6.60464e+01 0.000   1.76333e+01 0.000   0.9994 
1 1 1 19 0  7  f 0  3.31953e+02 3.13068e+01 8.15431e+01 90.000  6.73451e-16  1.09983e+01  0.00000e+00 0.00000e+00 9.60355e+01 90.000  1.44924e+01 90.000  1.0000 
1 1 1 19 0  8  o 12 1.01686e+02 5.05238e+01 1.33580e+01 180.000 -5.46096e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.38119e+01 180.000 4.53838e-01 180.000 0.4976 
1 1 1 19 0  9  o 16 6.40158e+01 4.04931e+01 1.02282e+01 270.000 -1.71882e-17 -2.80704e-01 0.00000e+00 0.00000e+00 7.84304e-01 90.000  1.10126e+01 90.000  0.2736 
1 1 1 19 0  10 o 17 1.50228e+02 5.22332e+01 2.69954e+01 0.000   1.52052e+00  0.00000e+00  0.00000e+00 0.00000e+00 4.69846e+01 0.000   1.99892e+01 0.000   0.9088 
1 1 1 19 0  11 o 13 5.86553e+01 3.89791e+01 2.91571e+01 270.000 -4.94876e-17 -8.08193e-01 0.00000e+00 0.00000e+00 7.79383e+00 90.000  3.69510e+01 90.000  0.6686 
1 1 1 19 0  12 o 16 6.22081e+01 3.83500e+01 1.79778e+01 180.000 -6.23855e-01 0.00000e+00  0.00000e+00 0.00000e+00 8.98784e-01 180.000 1.70790e+01 0.000   0.5538 
1 1 1 19 0  13 o 7  4.36027e+01 3.00979e+01 1.90385e+01 90.000  2.98210e-17  4.87014e-01  0.00000e+00 0.00000e+00 8.17533e+00 270.000 2.72139e+01 270.000 0.4518 
1 1 1 19 0  14 o 18 7.63224e+01 4.20980e+01 1.23963e+01 0.000   5.89667e-01  0.00000e+00  0.00000e+00 0.00000e+00 1.00456e+01 0.000   2.35076e+00 180.000 0.5297 
1 1 1 19 0  15 o 10 5.49969e+01 3.52099e+01 1.50093e+01 90.000  3.63765e-17  5.94073e-01  0.00000e+00 0.00000e+00 1.37804e+00 90.000  1.36312e+01 270.000 0.5328 
1 1 1 19 0  16 o 13 7.53941e+01 4.24594e+01 3.37801e+01 180.000 -1.92529e+00 0.00000e+00  0.00000e+00 0.00000e+00 6.94358e+00 180.000 2.68365e+01 0.000   0.9584 
1 1 1 19 1  0  o 8  1.18567e+02 5.03847e+01 5.80785e+00 90.000  1.22854e-17  2.00635e-01  0.00000e+00 0.00000e+00 6.60226e+00 90.000  7.94403e-01 90.000  0.1980 
1 1 1 19 1  1  f 0  8.91755e+01 3.30085e+01 4.18870e+01 249.992 -7.65664e-01 -2.10278e+00 0.00000e+00 0.00000e+00 7.31199e+00 69.992  4.91990e+01 69.992  0.7332 
1 1 1 19 1  2  o 3  1.96961e+02 3.92516e+01 6.03911e+01 327.072 5.57681e+00  -3.61162e+00 0.00000e+00 0.00000e+00 3.56402e+01 327.072 2.47509e+01 147.072 0.9213 
1 1 1 19 1  3  o 19 9.29579e+01 3.29653e+01 2.77764e+01 10.670  1.51668e+00  2.85750e-01  0.00000e+00 0.00000e+00 2.10526e+00 10.670  2.56712e+01 190.670 0.6067 
1 1 1 19 1  4  o 3  6.38246e+01 2.81355e+01 2.94629e+01 145.218 -1.02510e+00 7.11984e-01  0.00000e+00 0.00000e+00 1.15946e+01 325.218 4.10575e+01 325.218 0.5274 
1 1 1 19 1  5  o 7  2.15942e+02 2.36428e+01 3.23449e+01 62.908  2.19469e+00  4.29022e+00  0.00000e+00 0.00000e+00 6.97867e+01 62.908  3.74418e+01 62.908  0.8890 
1 1 1 19 1  6  o 18 5.81119e+01 2.67015e+01 1.20452e+01 124.526 -3.08751e-01 4.48798e-01  0.00000e+00 0.00000e+00 3.89965e+00 304.526 1.59449e+01 304.526 0.2627 
1 1 1 19 1  7  o 13 1.79369e+02 2.70066e+01 5.33923e+01 227.340 -5.01204e+00 -5.43902e+00 0.00000e+00 0.00000e+00 3.58642e+01 227.340 1.75281e+01 47.340  0.9297 
1 1 1 19 1  8  o 14 2.24660e+02 2.41296e+01 5.63986e+01 329.703 1.03449e+01  -6.04440e+00 0.00000e+00 0.00000e+00 5.91509e+01 329.703 2.75223e+00 329.703 0.9573 
1 1 1 19 1  9  o 8  1.16129e+02 3.39389e+01 2.98665e+01 64.537  1.18711e+00  2.49298e+00  0.00000e+00 0.00000e+00 1.96758e+01 64.537  1.01908e+01 244.537 0.7907 
1 1 1 19 1  10 o 11 2.35995e+02 2.48541e+01 5.21563e+01 162.063 -1.03489e+01 3.34990e+00  0.00000e+00 0.00000e+00 6.97607e+01 162.063 1.76043e+01 162.063 0.9529 
1 1 1 19 1  11 o 1  9.33355e+01 3.49805e+01 2.35968e+01 264.934 -1.64160e-01 -1.85180e+00 0.00000e+00 0.00000e+00 1.06511e+01 264.934 1.29457e+01 84.934  0.6732 
1 1 1 19 1  12 o 12 1.26692e+02 3.18026e+01 2.88970e+01 351.700 3.72637e+00  -5.43597e-01 0.00000e+00 0.00000e+00 3.04083e+01 351.700 1.51128e+00 351.700 0.8539 
1 1 1 19 1  13 o 15 7.23951e+01 2.88091e+01 1.35821e+01 87.120  6.41067e-02  1.27440e+00  0.00000e+00 0.00000e+00 7.81308e+00 87.120  5.76903e+00 267.120 0.5357 
1 1 1 19 1  14 o 9  8.38023e+01 3.00311e+01 2.45410e+00 46.839  1.74371e-01  1.85941e-01  0.00000e+00 0.00000e+00 3.43101e+00 46.839  9.76915e-01 46.839  0.1264 
1 1 1 19 1  15 o 7  7.89307e+01 2.97000e+01 1.35971e+01 102.630 -3.05468e-01 1.36320e+00  0.00000e+00 0.00000e+00 1.15597e+01 102.630 2.03738e+00 282.630 0.5696 
1 1 1 19 1  16 o 12 7.53918e+01 2.94325e+01 7.44615e+00 170.036 -8.48467e-01 1.49055e-01  0.00000e+00 0.00000e+00 9.35389e+00 170.036 1.90774e+00 170.036 0.3952 
1 1 1 19 2  0  o 2  8.06820e+01 4.53206e+01 4.20834e+00 90.000  6.28798e-18  1.02691e-01  0.00000e+00 0.00000e+00 1.63447e-01 90.000  4.04489e+00 270.000 0.1023 
1 1 1 19 2  1  o 3  1.38123e+02 2.69914e+01 5.55071e+01 307.741 2.98005e+00  -3.85002e+00 0.00000e+00 0.00000e+00 9.61961e+00 307.741 4.58875e+01 127.741 0.8902 
1 1 1 19 2  2  o 6  9.47155e+01 3.26032e+01 3.47224e+01 152.724 -1.75557e+00 9.05204e-01  0.00000e+00 0.00000e+00 1.01696e-01 152.724 3.46207e+01 332.723 0.6937 
1 1 1 19 2  4  o 18 2.76323e+02 2.13091e+01 7.25551e+01 292.281 5.36108e+00  -1.30837e+01 0.00000e+00 0.00000e+00 6.90585e+01 292.281 3.49660e+00 112.281 0.9640 
1 1 1 19 2  7  o 10 2.63584e+02 2.27355e+01 5.29017e+01 233.257 -8.05541e+00 -1.07902e+01 0.00000e+00 0.00000e+00 8.30513e+01 233.257 3.01497e+01 233.257 0.9621 
1 1 1 19 2  8  o 17 1.26352e+02 3.31012e+01 3.79606e+01 292.314 1.52232e+00  -3.70914e+00 0.00000e+00 0.00000e+00 2.07777e+01 292.314 1.71829e+01 112.314 0.8639 
1 1 1 19 2  9  o 5  2.43834e+02 2.36549e+01 3.97600e+01 58.200  4.65738e+00  7.51153e+00  0.00000e+00 0.00000e+00 8.43218e+01 58.200  4.45618e+01 58.200  0.9416 
1 1 1 19 2  10 o 6  1.34743e+02 3.50381e+01 2.53176e+01 213.729 -2.18617e+00 -1.45958e+00 0.00000e+00 0.00000e+00 3.16301e+01 213.729 6.31243e+00 213.729 0.7783 
1 1 1 19 2  11 o 14 1.75221e+02 3.08903e+01 1.81343e+01 213.170 -2.39195e+00 -1.56346e+00 0.00000e+00 0.00000e+00 5.82832e+01 213.170 4.01489e+01 213.170 0.7989 
1 1 1 19 2  12 o 11 7.29493e+01 3.03509e+01 3.16801e+01 71.922  7.56424e-01  2.31736e+00  0.00000e+00 0.00000e+00 1.31589e+00 251.923 3.29960e+01 251.923 0.7580 
1 1 1 19 2  13 o 12 7.24104e+01 2.91003e+01 2.26576e+01 32.687  1.77999e+00  1.14217e+00  0.00000e+00 0.00000e+00 5.98151e+00 32.687  1.66761e+01 212.687 0.7158 
1 1 1 19 2  14 o 9  4.84229e+01 2.31184e+01 7.25098e+00 332.210 4.40525e-01  -2.32167e-01 0.00000e+00 0.00000e+00 7.43232e-01 152.210 7.99421e+00 152.210 0.2416 
1 1 1 19 2  15 o 18 7.36819e+01 2.92942e+01 1.70234e+01 183.670 -1.74448e+00 -1.11890e-01 0.00000e+00 0.00000e+00 9.88941e+00 183.670 7.13397e+00 3.670   0.6518 
1 1 1 19 2  16 o 13 6.63812e+01 2.80407e+01 1.27583e+01 321.472 1.05248e+00  -8.38006e-01 0.00000e+00 0.00000e+00 8.06987e+00 321.472 4.68840e+00 141.472 0.5555 
1 1 1 19 3  0  o 13 3.32841e+02 3.19393e+01 3.89651e+01 270.000 -2.61587e-16 -4.27205e+00 0.00000e+00 0.00000e+00 1.37679e+02 270.000 9.87143e+01 270.000 0.9996 
1 1 1 19 3  1  o 19 1.29332e+02 2.78661e+01 1.76100e+01 334.620 1.29481e+00  -6.14272e-01 0.00000e+00 0.00000e+00 2.21684e+01 334.620 4.55849e+00 334.620 0.5792 
1 1 1 19 3  2  o 12 2.80535e+02 2.19923e+01 3.95446e+01 79.657  1.40136e+00  7.67853e+00  0.00000e+00 0.00000e+00 9.96412e+01 79.657  6.00966e+01 79.657  0.9336 
1 1 1 19 3  3  o 3  1.65356e+02 2.74964e+01 1.98920e+01 156.071 -2.00942e+00 8.91652e-01  0.00000e+00 0.00000e+00 4.41480e+01 156.071 2.42561e+01 156.071 0.7278 
1 1 1 19 3  4  o 11 1.81841e+02 2.54197e+01 3.35919e+01 303.276 2.27913e+00  -3.47285e+00 0.00000e+00 0.00000e+00 5.06620e+01 303.276 1.70701e+01 303.276 0.8692 
1 1 1 19 3  5  o 6  8.51168e+01 3.14912e+01 1.04299e+01 321.015 5.08566e-01  -4.11602e-01 0.00000e+00 0.00000e+00 3.70364e+00 321.015 6.72628e+00 141.015 0.3108 
1 1 1 19 3  6  o 15 1.87911e+02 2.56662e+01 2.90366e+01 241.974 -2.01462e+00 -3.78478e+00 0.00000e+00 0.00000e+00 5.89277e+01 241.974 2.98912e+01 241.974 0.8737 
1 1 1 19 3  7  o 17 1.39769e+02 3.11435e+01 1.97108e+01 305.477 1.38037e+00  -1.93687e+00 0.00000e+00 0.00000e+00 3.67188e+01 305.477 1.70080e+01 305.477 0.7511 
1 1 1 19 3  9  o 9  2.16742e+02 3.58687e+01 4.10084e+01 149.418 -5.85081e+00 3.45765e+00  0.00000e+00 0.00000e+00 6.74174e+01 149.418 2.64090e+01 149.418 0.9232 
1 1 1 19 3  10 o 17 2.44757e+02 2.41164e+01 7.34589e+01 331.193 1.40249e+01  -7.71239e+00 0.00000e+00 0.00000e+00 5.55745e+01 331.193 1.78844e+01 151.193 0.9682 
1 1 1 19 3  12 o 5  7.02105e+01 2.97376e+01 2.44200e+01 143.928 -1.43430e+00 1.04482e+00  0.00000e+00 0.00000e+00 9.77984e-01 143.928 2.34420e+01 323.928 0.6570 
1 1 1 19 3  13 o 8  7.27745e+01 3.02548e+01 3.22749e+01 221.802 -2.20083e+00 -1.96790e+00 0.00000e+00 0.00000e+00 2.39011e-01 221.802 3.20359e+01 41.802  0.8064 
1 1 1 19 3  14 o 19 5.27931e+01 2.49739e+01 1.32674e+01 231.340 -5.98917e-01 -7.48644e-01 0.00000e+00 0.00000e+00 5.57766e-01 51.340  1.38252e+01 51.340  0.4316 
1 1 1 19 3  15 o 19 8.68401e+01 3.11677e+01 9.96370e+00 153.553 -1.03274e+00 5.13711e-01  0.00000e+00 0.00000e+00 1.43434e+01 153.553 4.37973e+00 153.553 0.4981 
1 1 1 19 3  16 o 3  7.97711e+01 3.01250e+01 1.57573e+01 0.521   1.89151e+00  1.72141e-02  0.00000e+00 0.00000e+00 1.49241e+01 0.521   8.33270e-01 180.521 0.6791 
1 1 1 19 4  0  o 13 6.78178e+01 4.15134e+01 5.07881e+00 90.000  6.92836e-18  1.13149e-01  0.00000e+00 0.00000e+00 1.00689e+00 270.000 6.08570e+00 270.000 0.1127 
1 1 1 19 4  1  o 3  1.35649e+02 3.26317e+01 2.86825e+01 150.282 -2.14309e+00 1.22330e+00  0.00000e+00 0.00000e+00 2.63741e+01 150.282 2.30837e+00 330.282 0.7614 
1 1 1 19 4  2  o 18 8.33969e+01 3.21232e+01 3.27342e+01 189.825 -1.71384e+00 -2.96796e-01 0.00000e+00 0.00000e+00 3.81796e+00 9.825   3.65521e+01 9.825   0.6500 
1 1 1 19 4  3  o 11 2.51592e+02 2.24729e+01 6.45614e+01 336.881 1.04362e+01  -4.45542e+00 0.00000e+00 0.00000e+00 6.37539e+01 336.881 8.07482e-01 156.881 0.9549 
1 1 1 19 4  4  o 5  1.03751e+02 3.23871e+01 2.40519e+01 105.464 -4.85517e-01 1.75502e+00  0.00000e+00 0.00000e+00 1.29236e+01 105.464 1.11283e+01 285.464 0.6661 
1 1 1 19 4  5  o 12 2.44268e+02 2.27835e+01 6.68396e+01 135.005 -9.36892e+00 9.36738e+00  0.00000e+00 0.00000e+00 5.91113e+01 135.005 7.72832e+00 315.005 0.9615 
1 1 1 19 4  6  o 17 1.66694e+02 2.76510e+01 3.74120e+01 273.959 3.91396e-01  -5.65483e+00 0.00000e+00 0.00000e+00 4.38832e+01 273.959 6.47117e+00 273.959 0.9069 
1 1 1 19 4  7  o 6  8.26232e+01 3.21925e+01 3.31741e+01 294.693 9.71965e-01  -2.11385e+00 0.00000e+00 0.00000e+00 2.51192e-02 294.693 3.31490e+01 114.693 0.7447 
1 1 1 19 4  8  o 17 9.91967e+01 3.36891e+01 1.75349e+01 48.141  9.29058e-01  1.03693e+00  0.00000e+00 0.00000e+00 1.29984e+01 48.141  4.53645e+00 228.141 0.5683 
1 1 1 19 4  9  o 14 1.28633e+02 3.38341e+01 1.97975e+01 162.462 -1.90990e+00 6.03579e-01  0.00000e+00 0.00000e+00 2.90563e+01 162.462 9.25881e+00 162.462 0.6983 
1 1 1 19 4  10 o 17 6.98831e+01 3.03202e+01 1.60062e+01 326.990 8.53984e-01  -5.54793e-01 0.00000e+00 0.00000e+00 1.28974e+00 326.990 1.47164e+01 146.990 0.4529 
1 1 1 19 4  11 o 13 5.78784e+01 2.65686e+01 2.41037e+01 38.372  1.23563e+00  9.78382e-01  0.00000e+00 0.00000e+00 4.56660e+00 218.372 2.86703e+01 218.372 0.6144 
1 1 1 19 4  12 o 19 8.03058e+01 3.18814e+01 4.16342e+00 44.512  2.37456e-01  2.33449e-01  0.00000e+00 0.00000e+00 3.12484e+00 44.512  1.03858e+00 224.512 0.1642 
1 1 1 19 4  13 o 13 1.56258e+02 2.82428e+01 3.14110e+01 246.172 -2.59515e+00 -5.87615e+00 0.00000e+00 0.00000e+00 4.84019e+01 246.172 1.69909e+01 246.172 0.9185 
1 1 1 19 4  14 o 12 6.52810e+01 2.78989e+01 1.52826e+01 204.353 -1.23513e+00 -5.59056e-01 0.00000e+00 0.00000e+00 5.12782e+00 204.353 1.01548e+01 24.353  0.5584 
1 1 1 19 4  15 o 9  7.51355e+01 2.98124e+01 1.79619e+01 113.041 -7.25547e-01 1.70588e+00  0.00000e+00 0.00000e+00 1.05261e+01 113.041 7.43582e+00 293.041 0.6722 
1 1 1 19 4  16 o 18 5.59428e+01 2.53737e+01 6.67143e+00 272.049 2.27100e-02  -6.34633e-01 0.00000e+00 0.00000e+00 2.94885e+00 272.049 3.72258e+00 92.049  0.3025 
1 1 1 19 5  0  o 4  4.19722e+01 2.93587e+01 9.72702e+00 90.000  8.86653e-18  1.44801e-01  0.00000e+00 0.00000e+00 6.49518e+00 270.000 1.62222e+01 270.000 0.1438 
1 1 1 19 5  2  o 1  1.13704e+02 2.95220e+01 3.96661e+01 282.089 7.15421e-01  -3.34014e+00 0.00000e+00 0.00000e+00 1.13212e+01 282.089 2.83448e+01 102.089 0.8366 
1 1 1 19 5  3  o 6  2.58731e+02 2.28989e+01 4.18724e+01 349.992 8.67831e+00  -1.53153e+00 0.00000e+00 0.00000e+00 8.88521e+01 349.992 4.69797e+01 349.992 0.9414 
1 1 1 19 5  4  o 12 6.94400e+01 2.93803e+01 3.28867e+01 107.845 -5.28814e-01 1.64267e+00  0.00000e+00 0.00000e+00 8.72514e+00 287.845 4.16118e+01 287.845 0.6472 
1 1 1 19 5  5  o 14 1.03374e+02 3.32782e+01 3.88178e+01 169.422 -3.31235e+00 6.18597e-01  0.00000e+00 0.00000e+00 7.63881e+00 169.422 3.11790e+01 349.422 0.8340 
1 1 1 19 5  6  f 0  1.34320e+02 3.19843e+01 1.51410e+01 280.121 3.04905e-01  -1.70803e+00 0.00000e+00 0.00000e+00 3.19710e+01 280.121 1.68299e+01 280.121 0.6491 
1 1 1 19 5  7  o 12 2.27608e+02 2.33357e+01 2.32962e+01 132.644 -3.30718e+00 3.59096e+00  0.00000e+00 0.00000e+00 8.65939e+01 132.644 6.32977e+01 132.644 0.8906 
1 1 1 19 5  8  o 17 1.26721e+02 3.34908e+01 2.85262e+01 325.849 2.37203e+00  -1.60909e+00 0.00000e+00 0.00000e+00 2.66134e+01 325.849 1.91281e+00 145.849 0.7996 
1 1 1 19 5  10 o 5  1.95446e+02 2.76574e+01 4.43167e+01 57.379  4.41320e+00  6.89516e+00  0.00000e+00 0.00000e+00 5.62254e+01 57.379  1.19088e+01 57.379  0.9368 
1 1 1 19 5  11 o 15 1.37542e+02 3.03858e+01 5.29538e+01 155.558 -6.80850e+00 3.09449e+00  0.00000e+00 0.00000e+00 1.77020e+01 155.558 3.52519e+01 335.558 0.9305 
1 1 1 19 5  12 o 14 1.62496e+02 2.85081e+01 5.16009e+01 208.148 -9.67018e+00 -5.17377e+00 0.00000e+00 0.00000e+00 3.44115e+01 208.148 1.71895e+01 28.148  0.9533 
1 1 1 19 5  13 o 18 6.62504e+01 2.90007e+01 1.76231e+01 284.416 3.68802e-01  -1.43469e+00 0.00000e+00 0.00000e+00 4.27353e+00 284.416 1.33496e+01 104.416 0.5915 
1 1 1 19 5  14 o 5  1.00966e+02 3.36222e+01 2.08658e+01 39.746  1.93706e+00  1.61079e+00  0.00000e+00 0.00000e+00 2.27071e+01 39.746  1.84126e+00 39.746  0.7671 
1 1 1 19 5  15 o 17 5.99633e+01 2.72906e+01 7.19091e+00 327.357 5.89664e-01  -3.77723e-01 0.00000e+00 0.00000e+00 4.03343e+00 327.357 3.15748e+00 147.357 0.3303 
1 1 1 19 5  16 o 16 5.43224e+01 2.49302e+01 1.51118e+01 316.464 1.02194e+00  -9.71002e-01 0.00000e+00 0.00000e+00 2.66725e+00 316.464 1.24445e+01 136.464 0.5730 
1 1 1 19 6  0  o 4  4.44334e+01 3.12294e+01 1.14476e+00 90.000  1.27810e-18  2.08730e-02  0.00000e+00 0.00000e+00 6.45288e-01 270.000 1.79005e+00 270.000 0.0209 
1 1 1 19 6  1  o 18 1.14239e+02 3.45739e+01 1.82224e+01 291.403 5.38972e-01  -1.37505e+00 0.00000e+00 0.00000e+00 1.81134e+01 291.403 1.09013e-01 111.403 0.5904 
1 1 1 19 6  2  o 16 1.81574e+02 2.32028e+01 6.69309e+01 351.623 9.74524e+00  -1.43500e+00 0.00000e+00 0.00000e+00 2.58569e+01 351.623 4.10740e+01 171.623 0.9478 
1 1 1 19 6  3  o 15 2.10757e+02 2.45308e+01 4.95791e+01 130.662 -5.43427e+00 6.32634e+00  0.00000e+00 0.00000e+00 5.71403e+01 130.662 7.56126e+00 130.662 0.9380 
1 1 1 19 6  4  o 17 1.13012e+02 3.30429e+01 3.63773e+01 178.703 -3.46418e+00 7.84345e-02  0.00000e+00 0.00000e+00 1.49157e+01 178.703 2.14616e+01 358.703 0.8393 
1 1 1 19 6  5  f 0  2.26100e+02 2.32091e+01 4.73959e+01 286.232 2.88059e+00  -9.89459e+00 0.00000e+00 0.00000e+00 6.90497e+01 286.232 2.16537e+01 286.232 0.9502 
1 1 1 19 6  6  o 6  8.34844e+01 3.22034e+01 1.85900e+01 342.183 1.21330e+00  -3.89950e-01 0.00000e+00 0.00000e+00 5.69700e+00 342.183 1.28930e+01 162.183 0.5352 
1 1 1 19 6  7  o 18 1.23032e+02 3.28966e+01 2.21706e+01 89.731  1.03683e-02  2.20876e+00  0.00000e+00 0.00000e+00 2.67559e+01 89.731  4.58530e+00 89.731  0.7292 
1 1 1 19 6  8  o 13 7.42145e+01 3.10518e+01 2.43205e+01 43.463  1.07281e+00  1.01675e+00  0.00000e+00 0.00000e+00 3.25324e-01 223.463 2.46458e+01 223.463 0.5907 
1 1 1 19 6  9  o 1  1.76962e+02 2.82502e+01 3.79319e+01 287.150 1.86116e+00  -6.03123e+00 0.00000e+00 0.00000e+00 5.12711e+01 287.150 1.33392e+01 287.150 0.9169 
1 1 1 19 6  10 o 5  9.42903e+01 3.24915e+01 2.04074e+01 274.670 1.59888e-01  -1.95720e+00 0.00000e+00 0.00000e+00 1.56203e+01 274.670 4.78717e+00 94.670  0.6917 
1 1 1 19 6  11 o 4  1.02339e+02 3.25881e+01 2.11227e+01 128.687 -1.33175e+00 1.66307e+00  0.00000e+00 0.00000e+00 1.96865e+01 128.687 1.43626e+00 308.687 0.7181 
1 1 1 19 6  12 o 9  1.02153e+02 3.28591e+01 2.77751e+01 150.848 -2.94671e+00 1.64361e+00  0.00000e+00 0.00000e+00 1.98241e+01 150.848 7.95094e+00 330.848 0.8342 
1 1 1 19 6  13 o 3  7.83518e+01 3.10019e+01 2.56852e+01 65.576  1.05998e+00  2.33417e+00  0.00000e+00 0.00000e+00 8.30170e+00 65.576  1.73835e+01 245.576 0.7717 
1 1 1 19 6  14 o 8  8.89084e+01 3.32244e+01 1.23305e+01 67.123  5.41739e-01  1.28393e+00  0.00000e+00 0.00000e+00 1.62829e+01 67.123  3.95243e+00 67.123  0.5687 
1 1 1 19 6  15 o 2  8.87149e+01 3.11205e+01 3.58985e+01 267.691 -1.88424e-01 -4.67319e+00 0.00000e+00 0.00000e+00 8.87468e+00 267.691 2.70238e+01 87.691  0.8853 
1 1 1 19 7  0  f 0  1.88629e+02 4.55020e+01 4.48518e+01 90.000  2.21610e-16  3.61916e+00  0.00000e+00 0.00000e+00 5.73077e+01 90.000  1.24560e+01 90.000  0.9986 
1 1 1 19 7  1  o 13 1.76914e+02 2.95943e+01 2.05536e+01 301.032 1.66481e+00  -2.76725e+00 0.00000e+00 0.00000e+00 5.86862e+01 301.032 3.81327e+01 301.032 0.8256 
1 1 1 19 7  2  o 10 1.06009e+02 3.55227e+01 4.08125e+01 324.354 2.85417e+00  -2.04685e+00 0.00000e+00 0.00000e+00 7.63285e+00 324.354 3.31797e+01 144.354 0.8417 
1 1 1 19 7  3  o 17 1.48680e+02 2.66195e+01 4.78790e+01 193.381 -6.39250e+00 -1.52070e+00 0.00000e+00 0.00000e+00 2.65104e+01 193.381 2.13686e+01 13.381  0.9204 
1 1 1 19 7  4  o 6  4.61556e+01 2.25095e+01 2.03393e+01 223.920 -6.32314e-01 -6.08912e-01 0.00000e+00 0.00000e+00 1.02494e+01 43.920  3.05888e+01 43.920  0.4014 
1 1 1 19 7  5  o 12 1.80211e+02 2.62520e+01 3.83676e+01 3.341   6.15050e+00  3.59095e-01  0.00000e+00 0.00000e+00 5.16100e+01 3.341   1.32424e+01 3.341   0.9148 
1 1 1 19 7  6  o 18 2.02914e+02 2.40434e+01 2.13661e+01 150.281 -3.39664e+00 1.93889e+00  0.00000e+00 0.00000e+00 7.41450e+01 150.281 5.27789e+01 150.281 0.8600 
1 1 1 19 7  7  o 6  9.47030e+01 3.34429e+01 2.03449e+01 276.358 1.69166e-01  -1.51819e+00 0.00000e+00 0.00000e+00 1.10063e+01 276.358 9.33861e+00 96.358  0.6029 
1 1 1 19 7  8  o 1  2.41678e+02 2.36766e+01 3.76305e+01 355.203 9.10430e+00  -7.64020e-01 0.00000e+00 0.00000e+00 8.80642e+01 355.203 5.04337e+01 355.203 0.9436 
1 1 1 19 7  9  o 15 9.01636e+01 3.34381e+01 4.10586e+01 120.052 -1.86361e+00 3.22108e+00  0.00000e+00 0.00000e+00 1.45959e+00 120.052 3.95991e+01 300.052 0.8519 
1 1 1 19 7  10 o 18 2.09090e+02 2.22552e+01 4.23933e+01 176.312 -1.03583e+01 6.67711e-01  0.00000e+00 0.00000e+00 6.81540e+01 176.312 2.57607e+01 176.312 0.9505 
1 1 1 19 7  11 o 12 8.26725e+01 3.15607e+01 1.85870e+01 248.435 -6.93032e-01 -1.75353e+00 0.00000e+00 0.00000e+00 1.27579e+01 248.435 5.82904e+00 68.435  0.6780 
1 1 1 19 7  12 o 18 1.41420e+02 3.00063e+01 3.50775e+01 349.638 6.07264e+00  -1.11040e+00 0.00000e+00 0.00000e+00 3.76976e+01 349.638 2.62012e+00 349.638 0.9150 
1 1 1 19 7  13 o 3  5.33401e+01 2.51088e+01 1.03440e+01 43.383  5.78029e-01  5.46299e-01  0.00000e+00 0.00000e+00 8.02371e-01 43.383  9.54166e+00 223.383 0.3692 
1 1 1 19 7  14 o 2  1.16084e+02 3.25661e+01 1.47368e+01 146.529 -2.02586e+00 1.33941e+00  0.00000e+00 0.00000e+00 3.53392e+01 146.529 2.06024e+01 146.529 0.7570 
1 1 1 19 7  15 o 15 5.73156e+01 2.64262e+01 3.33489e+00 359.745 3.17190e-01  -1.41160e-03 0.00000e+00 0.00000e+00 1.81854e+00 359.745 1.51636e+00 179.745 0.1566 
1 1 1 19 8  0  o 12 9.08562e+01 4.90016e+01 1.66809e+01 270.000 -3.69239e-17 -6.03014e-01 0.00000e+00 0.00000e+00 1.01024e+01 270.000 6.57858e+00 90.000  0.5392 
1 1 1 19 8  1  o 14 1.16035e+02 3.47212e+01 2.84449e+01 60.961  1.27314e+00  2.29312e+00  0.00000e+00 0.00000e+00 2.09056e+01 60.961  7.53927e+00 240.961 0.7777 
1 1 1 19 8  3  o 18 2.93043e+02 2.24371e+01 5.58351e+01 227.289 -1.03810e+01 -1.12453e+01 0.00000e+00 0.00000e+00 9.94040e+01 227.289 4.35690e+01 227.289 0.9668 
1 1 1 19 8  4  o 17 1.49695e+02 3.09584e+01 4.02094e+01 322.597 3.99678e+00  -3.05609e+00 0.00000e+00 0.00000e+00 3.32611e+01 322.597 6.94830e+00 142.597 0.8941 
1 1 1 19 8  5  o 17 2.87792e+02 2.18359e+01 4.42612e+01 60.384  5.82912e+00  1.02544e+01  0.00000e+00 0.00000e+00 1.07208e+02 60.384  6.29470e+01 60.384  0.9566 
1 1 1 19 8  6  o 13 1.09982e+02 3.36220e+01 1.62797e+01 325.592 1.16881e+00  -8.00530e-01 0.00000e+00 0.00000e+00 1.86010e+01 325.592 2.32129e+00 325.592 0.5748 
1 1 1 19 8  7  o 1  1.92825e+02 2.59608e+01 3.59842e+01 283.028 1.52606e+00  -6.59528e+00 0.00000e+00 0.00000e+00 6.25156e+01 283.028 2.65315e+01 283.028 0.9229 
1 1 1 19 8  8  o 1  7.14849e+01 3.04627e+01 1.11845e+01 259.500 -1.54891e-01 -8.35690e-01 0.00000e+00 0.00000e+00 4.33341e+00 259.500 6.85108e+00 79.500  0.3907 
1 1 1 19 8  9  o 2  1.01974e+02 3.25236e+01 3.54288e+01 121.113 -1.85135e+00 3.06738e+00  0.00000e+00 0.00000e+00 1.26712e+01 121.113 2.27576e+01 301.113 0.8453 
1 1 1 19 8  10 o 13 1.79255e+02 2.91670e+01 4.17271e+01 63.698  4.29053e+00  8.68058e+00  0.00000e+00 0.00000e+00 5.34379e+01 63.698  1.17108e+01 63.698  0.9469 
1 1 1 19 8  11 o 18 7.51881e+01 3.05576e+01 7.81377e+00 273.854 4.87112e-02  -7.23062e-01 0.00000e+00 0.00000e+00 6.61568e+00 273.854 1.19808e+00 93.854  0.3405 
1 1 1 19 8  12 o 16 7.05350e+01 2.95199e+01 6.79876e+00 299.808 3.13897e-01  -5.47908e-01 0.00000e+00 0.00000e+00 5.23676e+00 299.808 1.56200e+00 119.808 0.3010 
1 1 1 19 8  13 o 6  8.78040e+01 3.27400e+01 2.00326e+01 322.287 1.78960e+00  -1.38379e+00 0.00000e+00 0.00000e+00 1.68599e+01 322.287 3.17271e+00 142.287 0.7365 
1 1 1 19 8  14 o 11 5.65729e+01 2.60580e+01 2.44256e+01 244.749 -9.91344e-01 -2.10190e+00 0.00000e+00 0.00000e+00 2.34551e-01 64.749  2.46601e+01 64.749  0.7444 
1 1 1 19 9  0  o 16 6.74765e+01 4.13484e+01 5.87451e+00 270.000 -1.02931e-17 -1.68100e-01 0.00000e+00 0.00000e+00 3.25020e-01 270.000 5.54949e+00 90.000  0.1665 
1 1 1 19 9  1  o 8  6.82784e+01 2.93928e+01 1.71928e+01 295.641 4.29794e-01  -8.95416e-01 0.00000e+00 0.00000e+00 4.64018e-01 115.641 1.76568e+01 115.641 0.4440 
1 1 1 19 9  2  o 5  7.59994e+01 3.14885e+01 1.89242e+01 194.222 -1.14442e+00 -2.90059e-01 0.00000e+00 0.00000e+00 2.34405e+00 194.222 1.65802e+01 14.222  0.5067 
1 1 1 19 9  3  o 9  8.05528e+01 3.01868e+01 1.19588e+01 79.520  1.46275e-01  7.90788e-01  0.00000e+00 0.00000e+00 4.64416e+00 79.520  7.31462e+00 259.520 0.3727 
1 1 1 19 9  4  o 14 4.92479e+01 2.32066e+01 2.37177e+01 23.958  9.72910e-01  4.32303e-01  0.00000e+00 0.00000e+00 1.09282e+01 203.958 3.46459e+01 203.958 0.4688 
1 1 1 19 9  5  o 13 2.32658e+02 2.36476e+01 3.93872e+01 169.177 -9.09980e+00 1.73963e+00  0.00000e+00 0.00000e+00 8.25979e+01 169.177 4.32106e+01 169.177 0.9444 
1 1 1 19 9  6  o 1  1.26940e+02 3.28941e+01 2.38700e+01 221.259 -2.00181e+00 -1.75612e+00 0.00000e+00 0.00000e+00 3.13682e+01 221.259 7.49826e+00 221.259 0.7816 
1 1 1 19 9  7  o 15 1.80866e+02 2.70963e+01 2.53216e+01 343.386 4.95295e+00  -1.47790e+00 0.00000e+00 0.00000e+00 6.53132e+01 343.386 3.99917e+01 343.386 0.8972 
1 1 1 19 9  8  o 2  5.42358e+01 2.55291e+01 1.57102e+01 111.699 -3.52555e-01 8.85978e-01  0.00000e+00 0.00000e+00 2.64395e+00 291.699 1.83542e+01 291.699 0.4297 
1 1 1 19 9  9  o 17 1.19405e+02 3.15555e+01 2.90023e+01 225.320 -2.99801e+00 -3.03171e+00 0.00000e+00 0.00000e+00 2.96907e+01 225.320 6.88373e-01 225.320 0.8729 
1 1 1 19 9  10 o 5  1.09629e+02 3.17468e+01 2.84193e+01 358.742 3.75203e+00  -8.24076e-02 0.00000e+00 0.00000e+00 2.45086e+01 358.742 3.91070e+00 178.742 0.8533 
1 1 1 19 9  11 o 8  7.72692e+01 3.09251e+01 1.64109e+01 57.191  8.78823e-01  1.36317e+00  0.00000e+00 0.00000e+00 1.10517e+01 57.191  5.35927e+00 237.191 0.6249 
1 1 1 19 9  12 o 3  1.09330e+02 3.14535e+01 2.80081e+01 228.149 -2.71617e+00 -3.03247e+00 0.00000e+00 0.00000e+00 2.61710e+01 228.149 1.83709e+00 48.149  0.8662 
1 1 1 19 9  13 o 13 5.93088e+01 2.69808e+01 7.45382e+00 232.302 -4.43431e-01 -5.73772e-01 0.00000e+00 0.00000e+00 4.17810e+00 232.302 3.27572e+00 52.302  0.3407 
1 1 1 19 10 0  o 17 1.61915e+02 4.79187e+01 3.56015e+01 90.000  1.53574e-16  2.50805e+00  0.00000e+00 0.00000e+00 5.34477e+01 90.000  1.78462e+01 90.000  0.9868 
1 1 1 19 10 1  o 11 1.03510e+02 3.37743e+01 3.22599e+01 157.998 -2.69815e+00 1.09024e+00  0.00000e+00 0.00000e+00 1.40815e+01 157.998 1.81784e+01 337.998 0.8031 
1 1 1 19 10 2  o 6  1.48508e+02 3.09532e+01 4.66224e+01 274.757 5.23222e-01  -6.28682e+00 0.00000e+00 0.00000e+00 2.93425e+01 274.757 1.72799e+01 94.757  0.9169 
1 1 1 19 10 3  o 17 1.39950e+02 3.24835e+01 4.52788e+01 2.813   5.61973e+00  2.76152e-01  0.00000e+00 0.00000e+00 2.55575e+01 2.813   1.97213e+01 182.813 0.9061 
1 1 1 19 10 4  o 17 1.74091e+02 2.34350e+01 4.23837e+01 69.956  3.04950e+00  8.35849e+00  0.00000e+00 0.00000e+00 4.93831e+01 69.956  6.99944e+00 69.956  0.9420 
1 1 1 19 10 5  o 5  7.52262e+01 3.10246e+01 3.17190e+01 244.237 -1.09475e+00 -2.26830e+00 0.00000e+00 0.00000e+00 6.41244e-01 244.237 3.10777e+01 64.237  0.7670 
1 1 1 19 10 6  o 5  5.62487e+01 2.61246e+01 1.87925e+01 313.184 8.05325e-01  -8.58068e-01 0.00000e+00 0.00000e+00 2.80032e+00 133.184 2.15928e+01 133.184 0.5055 
1 1 1 19 10 7  o 18 1.41661e+02 3.13977e+01 3.52719e+01 89.163  7.39766e-02  5.06136e+00  0.00000e+00 0.00000e+00 3.62509e+01 89.163  9.78957e-01 89.163  0.8948 
1 1 1 19 10 8  o 13 1.06658e+02 3.40423e+01 4.23579e+01 140.592 -4.06682e+00 3.34153e+00  0.00000e+00 0.00000e+00 1.19598e+01 140.592 3.03980e+01 320.591 0.8992 
1 1 1 19 10 9  o 5  8.44375e+01 3.13075e+01 1.52855e+01 301.087 8.10986e-01  -1.34508e+00 0.00000e+00 0.00000e+00 1.41624e+01 301.087 1.12309e+00 121.087 0.6131 
1 1 1 19 10 10 o 17 9.61917e+01 3.25207e+01 3.76820e+01 324.284 3.63392e+00  -2.61281e+00 0.00000e+00 0.00000e+00 1.06777e+01 324.284 2.70043e+01 144.284 0.8796 
1 1 1 19 10 11 o 4  5.89286e+01 2.66725e+01 1.53066e+01 222.585 -9.89338e-01 -9.09272e-01 0.00000e+00 0.00000e+00 3.48737e+00 222.585 1.18192e+01 42.585  0.5551 
1 1 1 19 10 12 o 15 7.13035e+01 2.94069e+01 1.99161e+01 102.367 -4.69472e-01 2.14123e+00  0.00000e+00 0.00000e+00 1.00393e+01 102.367 9.87675e+00 282.367 0.7269 
1 1 1 19 10 13 o 7  7.78626e+01 3.12016e+01 1.60358e+01 161.839 -1.74322e+00 5.71827e-01  0.00000e+00 0.00000e+00 1.42432e+01 161.839 1.79259e+00 341.839 0.6687 
1 1 1 19 11 0  o 13 9.87645e+01 4.80917e+01 1.20030e+01 90.000  3.63046e-17  5.92899e-01  0.00000e+00 0.00000e+00 1.76084e+01 90.000  5.60544e+00 90.000  0.5320 
1 1 1 19 11 1  o 1  9.74295e+01 3.32775e+01 4.49425e+00 93.025  -2.34336e-02 4.43386e-01  0.00000e+00 0.00000e+00 7.40817e+00 93.025  2.91392e+00 93.025  0.2167 
1 1 1 19 11 2  o 14 8.01242e+01 3.18715e+01 2.05520e+01 267.211 -8.33622e-02 -1.71118e+00 0.00000e+00 0.00000e+00 8.58561e+00 267.211 1.19664e+01 87.211  0.6446 
1 1 1 19 11 3  o 8  7.90857e+01 3.19328e+01 4.28880e+00 166.261 -3.41910e-01 8.35950e-02  0.00000e+00 0.00000e+00 3.45398e+00 166.261 8.34815e-01 346.261 0.1733 
1 1 1 19 11 4  o 13 6.90081e+01 2.86261e+01 9.85758e+00 225.860 -5.06428e-01 -5.21858e-01 0.00000e+00 0.00000e+00 3.47800e+00 225.860 6.37958e+00 45.860  0.3415 
1 1 1 19 11 5  o 15 6.13480e+01 2.69122e+01 3.81515e+01 262.297 -3.44449e-01 -2.54652e+00 0.00000e+00 0.00000e+00 1.12776e+01 82.297  4.94291e+01 82.297  0.7724 
1 1 1 19 11 6  o 4  8.25123e+01 3.17666e+01 2.70959e+01 46.384  1.89504e+00  1.98888e+00  0.00000e+00 0.00000e+00 9.94880e+00 46.384  1.71471e+01 226.384 0.7894 
1 1 1 19 11 7  o 12 6.26329e+01 2.76634e+01 3.23808e+01 59.460  1.37940e+00  2.33798e+00  0.00000e+00 0.00000e+00 4.27429e+00 239.460 3.66551e+01 239.460 0.7865 
1 1 1 19 11 8  o 18 1.19675e+02 3.11151e+01 3.31539e+01 227.267 -3.28937e+00 -3.56049e+00 0.00000e+00 0.00000e+00 2.78322e+01 227.267 5.32171e+00 47.267  0.8897 
1 1 1 19 11 9  o 8  6.92505e+01 2.91933e+01 3.64834e+00 58.354  1.76546e-01  2.86452e-01  0.00000e+00 0.00000e+00 2.96044e+00 58.354  6.87908e-01 238.354 0.1659 
1 1 1 19 11 10 o 4  9.13845e+01 3.18918e+01 1.72026e+01 102.361 -4.43490e-01 2.02368e+00  0.00000e+00 0.00000e+00 2.02569e+01 102.361 3.05422e+00 102.361 0.7092 
1 1 1 19 11 11 o 3  1.46971e+02 2.87708e+01 3.56753e+01 240.264 -4.08581e+00 -7.15267e+00 0.00000e+00 0.00000e+00 4.43579e+01 240.264 8.68259e+00 240.264 0.9372 
1 1 1 19 11 12 o 14 6.74577e+01 2.86877e+01 1.81766e+01 309.429 1.22471e+00  -1.48944e+00 0.00000e+00 0.00000e+00 8.85449e+00 309.429 9.32215e+00 129.429 0.6856 
1 1 1 19 12 0  o 16 8.26881e+01 4.54747e+01 4.59191e+00 90.000  1.16626e-17  1.90465e-01  0.00000e+00 0.00000e+00 4.28664e+00 90.000  3.05277e-01 270.000 0.1882 
1 1 1 19 12 1  o 12 1.13996e+02 3.35386e+01 3.40188e+01 246.387 -1.51846e+00 -3.47355e+00 0.00000e+00 0.00000e+00 2.16026e+01 246.387 1.24161e+01 66.387  0.8550 
1 1 1 19 12 2  o 11 8.30933e+01 3.21105e+01 1.22394e+01 59.682  6.27938e-01  1.07381e+00  0.00000e+00 0.00000e+00 1.27312e+01 59.682  4.91795e-01 59.682  0.5262 
1 1 1 19 12 3  o 5  1.00044e+02 3.43260e+01 2.03798e+01 42.949  1.73375e+00  1.61389e+00  0.00000e+00 0.00000e+00 2.25226e+01 42.949  2.14279e+00 42.949  0.7499 
1 1 1 19 12 4  o 19 1.05350e+02 3.08169e+01 2.27580e+01 252.924 -8.83432e-01 -2.87594e+00 0.00000e+00 0.00000e+00 2.61629e+01 252.924 3.40487e+00 252.924 0.8106 
1 1 1 19 12 5  o 14 5.17153e+01 2.41898e+01 1.67753e+01 114.436 -5.09484e-01 1.12125e+00  0.00000e+00 0.00000e+00 1.26228e+00 294.436 1.80376e+01 294.436 0.5225 
1 1 1 19 12 6  o 9  6.52836e+01 2.86835e+01 1.42486e+01 91.556  -3.25921e-02 1.20000e+00  0.00000e+00 0.00000e+00 5.03046e+00 91.556  9.21813e+00 271.556 0.5129 
1 1 1 19 12 7  o 18 5.87681e+01 2.69329e+01 1.82783e+01 224.689 -1.07302e+00 -1.06145e+00 0.00000e+00 0.00000e+00 2.03652e+00 224.689 1.62417e+01 44.689  0.5984 
1 1 1 19 12 8  o 16 7.72207e+01 3.04704e+01 1.58853e+01 337.549 1.55227e+00  -6.41425e-01 0.00000e+00 0.00000e+00 1.26583e+01 337.549 3.22702e+00 157.549 0.6375 
1 1 1 19 12 9  o 3  9.09169e+01 3.12898e+01 2.56713e+01 39.234  2.41608e+00  1.97290e+00  0.00000e+00 0.00000e+00 1.76586e+01 39.234  8.01269e+00 219.234 0.8184 
1 1 1 19 12 10 o 15 7.31292e+01 2.96477e+01 1.34627e+01 141.441 -1.18166e+00 9.41905e-01  0.00000e+00 0.00000e+00 1.21625e+01 141.441 1.30014e+00 321.441 0.5989 
1 1 1 19 13 0  o 7  6.52263e+01 4.01898e+01 1.22720e+00 270.000 -3.19426e-18 -5.21662e-02 0.00000e+00 0.00000e+00 7.38405e-01 270.000 4.88799e-01 90.000  0.0521 
1 1 1 19 13 1  o 15 7.13000e+01 2.98138e+01 1.77307e+01 306.676 9.54699e-01  -1.28195e+00 0.00000e+00 0.00000e+00 7.81633e+00 306.676 9.91437e+00 126.676 0.6195 
1 1 1 19 13 2  o 12 8.05421e+01 3.18631e+01 7.44709e+00 221.183 -5.45105e-01 -4.76925e-01 0.00000e+00 0.00000e+00 8.41665e+00 221.183 9.69555e-01 221.183 0.3403 
1 1 1 19 13 3  o 8  6.62311e+01 2.92506e+01 1.41149e+01 154.973 -1.08189e+00 5.05121e-01  0.00000e+00 0.00000e+00 5.49517e+00 154.973 8.61973e+00 334.973 0.5109 
1 1 1 19 13 4  o 13 5.67373e+01 2.57270e+01 1.29509e+01 303.650 5.89473e-01  -8.85561e-01 0.00000e+00 0.00000e+00 2.48216e+00 303.650 1.04687e+01 123.650 0.4685 
1 1 1 19 13 5  o 18 9.27173e+01 3.07602e+01 2.52323e+01 65.299  1.26136e+00  2.74227e+00  0.00000e+00 0.00000e+00 1.85382e+01 65.299  6.69415e+00 245.299 0.8113 
1 1 1 19 13 6  o 3  8.88802e+01 3.04479e+01 9.68242e+00 21.032  1.10192e+00  4.23701e-01  0.00000e+00 0.00000e+00 1.65959e+01 21.032  6.91351e+00 21.032  0.5067 
1 1 1 19 13 7  o 3  9.98669e+01 3.34297e+01 4.09933e+01 245.922 -2.12193e+00 -4.74862e+00 0.00000e+00 0.00000e+00 1.14959e+01 245.922 2.94973e+01 65.922  0.8978 
1 1 1 19 13 8  o 6  7.72565e+01 3.03523e+01 9.84845e+00 111.556 -4.22311e-01 1.06902e+00  0.00000e+00 0.00000e+00 1.27061e+01 111.556 2.85762e+00 111.556 0.4968 
1 1 1 19 13 9  o 13 6.63426e+01 2.83709e+01 8.36768e+00 50.942  5.57357e-01  6.86862e-01  0.00000e+00 0.00000e+00 7.44897e+00 50.942  9.18717e-01 230.942 0.4040 
1 1 1 19 14 0  o 18 5.70577e+01 3.65412e+01 1.36821e+01 270.000 -3.44834e-17 -5.63156e-01 0.00000e+00 0.00000e+00 3.39772e+00 270.000 1.02844e+01 90.000  0.5103 
1 1 1 19 14 1  o 9  5.27747e+01 2.48342e+01 1.40730e+01 265.985 -7.66618e-02 -1.09214e+00 0.00000e+00 0.00000e+00 7.58551e-01 265.985 1.33145e+01 85.985  0.4790 
1 1 1 19 14 2  o 9  9.38710e+01 3.38206e+01 3.34637e+01 339.027 3.70722e+00  -1.42106e+00 0.00000e+00 0.00000e+00 1.40691e+01 339.027 1.93946e+01 159.027 0.8624 
1 1 1 19 14 3  o 19 9.21360e+01 3.29814e+01 1.73731e+01 194.893 -1.99414e+00 -5.30331e-01 0.00000e+00 0.00000e+00 2.09741e+01 194.893 3.60097e+00 194.893 0.7079 
1 1 1 19 14 4  o 12 4.64179e+01 2.26496e+01 2.44957e+01 142.509 -1.48421e+00 1.13852e+00  0.00000e+00 0.00000e+00 6.03334e+00 322.509 3.05290e+01 322.509 0.6753 
1 1 1 19 14 5  o 5  5.13782e+01 2.39713e+01 6.43445e+00 92.900  -3.00026e-02 5.92159e-01  0.00000e+00 0.00000e+00 2.18338e+00 92.900  4.25106e+00 272.900 0.2842 
1 1 1 19 14 6  o 8  6.03626e+01 2.64925e+01 2.50689e+00 170.006 -2.49731e-01 4.40084e-02  0.00000e+00 0.00000e+00 1.98735e+00 170.006 5.19539e-01 350.006 0.1258 
1 1 1 19 14 7  o 2  9.89185e+01 3.39063e+01 1.24420e+01 68.878  6.08527e-01  1.57521e+00  0.00000e+00 0.00000e+00 2.51217e+01 68.878  1.26796e+01 68.878  0.6394 
1 1 1 19 15 0  o 10 4.44671e+01 3.05627e+01 4.68462e+00 270.000 -1.21442e-17 -1.98330e-01 0.00000e+00 0.00000e+00 5.01362e-01 270.000 4.18326e+00 90.000  0.1958 
1 1 1 19 15 1  o 7  1.03803e+02 3.36421e+01 1.94596e+01 244.199 -1.21546e+00 -2.51414e+00 0.00000e+00 0.00000e+00 2.96147e+01 244.199 1.01551e+01 244.199 0.7934 
1 1 1 19 15 2  o 18 6.44663e+01 2.80650e+01 1.27667e+01 144.206 -1.07453e+00 7.74801e-01  0.00000e+00 0.00000e+00 8.36645e+00 144.206 4.40029e+00 324.206 0.5497 
1 1 1 19 15 3  o 19 5.69550e+01 2.61524e+01 5.92347e+00 20.747  5.36269e-01  2.03138e-01  0.00000e+00 0.00000e+00 3.44713e+00 20.747  2.47634e+00 200.747 0.2756 
1 1 1 19 15 4  o 9  6.79940e+01 2.94661e+01 1.55989e+01 351.082 1.62591e+00  -2.55124e-01 0.00000e+00 0.00000e+00 1.00296e+01 351.082 5.56924e+00 171.082 0.6302 
1 1 1 19 15 5  o 17 5.19079e+01 2.41435e+01 7.75286e+00 187.871 -7.11444e-01 -9.83536e-02 0.00000e+00 0.00000e+00 2.75829e+00 187.871 4.99457e+00 7.871   0.3378 
1 1 1 20 0  0  f 0  7.99372e+01 4.84723e+01 7.08418e+00 180.000 -1.50803e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.38134e+00 0.000   8.46552e+00 0.000   0.1497 
1 1 1 20 0  1  o 3  3.99043e+01 2.86299e+01 8.59033e+00 90.000  1.17035e-17  1.91133e-01  0.00000e+00 0.00000e+00 4.99758e+00 270.000 1.35879e+01 270.000 0.1888 
1 1 1 20 0  2  o 3  4.23334e+01 2.98096e+01 6.95362e+00 180.000 -1.62504e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.69981e+00 0.000   1.06534e+01 0.000   0.1611 
1 1 1 20 0  3  o 4  1.51219e+02 4.89499e+01 3.37177e+01 270.000 -1.39561e-16 -2.27921e+00 0.00000e+00 0.00000e+00 3.70277e+01 270.000 3.31002e+00 270.000 0.9793 
1 1 1 20 0  4  o 1  4.77989e+01 3.27960e+01 1.81453e+01 0.000   4.50452e-01  0.00000e+00  0.00000e+00 0.00000e+00 8.48548e+00 180.000 2.66308e+01 180.000 0.4223 
1 1 1 20 0  5  o 2  9.08140e+01 4.79355e+01 2.62993e+01 90.000  6.57729e-17  1.07415e+00  0.00000e+00 0.00000e+00 8.15841e+00 90.000  1.81409e+01 270.000 0.7910 
1 1 1 20 0  6  o 4  4.61846e+01 3.19420e+01 1.18443e+01 180.000 -3.66038e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.05743e+00 0.000   1.59017e+01 0.000   0.3505 
1 1 1 20 0  7  o 4  4.21099e+01 2.95815e+01 3.66716e+00 90.000  6.35015e-18  1.03706e-01  0.00000e+00 0.00000e+00 1.56722e+00 270.000 5.23438e+00 270.000 0.1033 
1 1 1 20 0  8  o 12 6.60466e+01 4.12102e+01 1.40639e+01 180.000 -5.48192e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.90632e+00 180.000 1.21575e+01 0.000   0.4992 
1 1 1 20 0  9  o 14 5.54669e+01 3.67383e+01 1.59550e+01 90.000  3.54842e-17  5.79501e-01  0.00000e+00 0.00000e+00 1.86096e+00 270.000 1.78159e+01 270.000 0.5223 
1 1 1 20 0  10 o 12 4.50933e+01 3.14319e+01 1.71520e+01 0.000   5.75716e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.69964e+00 180.000 2.28516e+01 180.000 0.5195 
1 1 1 20 0  11 o 5  5.15359e+01 3.50159e+01 8.44733e+00 270.000 -2.14979e-17 -3.51087e-01 0.00000e+00 0.00000e+00 9.61639e-02 270.000 8.35117e+00 90.000  0.3373 
1 1 1 20 1  0  o 3  5.10864e+01 3.31136e+01 7.00782e+00 180.000 -1.92556e-01 0.00000e+00  0.00000e+00 0.00000e+00 2.37357e+00 0.000   9.38139e+00 0.000   0.1902 
1 1 1 20 1  1  o 8  9.69080e+01 3.42642e+01 4.16793e+00 23.422  3.43445e-01  1.48780e-01  0.00000e+00 0.00000e+00 4.33534e+00 23.422  1.67405e-01 23.422  0.1839 
1 1 1 20 1  2  o 9  8.45756e+01 3.27193e+01 5.70535e+00 324.921 3.74177e-01  -2.62769e-01 0.00000e+00 0.00000e+00 3.29201e+00 324.921 2.41334e+00 144.921 0.2228 
1 1 1 20 1  3  o 15 6.46025e+01 3.03372e+01 7.57412e+00 164.003 -4.46943e-01 1.28131e-01  0.00000e+00 0.00000e+00 5.82633e-01 344.003 8.15675e+00 344.003 0.2264 
1 1 1 20 1  4  o 8  1.01224e+02 3.36012e+01 2.66175e+01 186.490 -2.42394e+00 -2.75752e-01 0.00000e+00 0.00000e+00 1.01355e+01 186.490 1.64820e+01 6.490   0.7583 
1 1 1 20 1  5  o 2  1.69899e+02 2.80667e+01 1.91088e+01 257.431 -8.70445e-01 -3.90391e+00 0.00000e+00 0.00000e+00 5.13017e+01 257.431 3.21929e+01 257.431 0.8635 
1 1 1 20 1  6  o 1  1.56064e+02 3.09465e+01 2.66554e+01 346.561 4.73206e+00  -1.13072e+00 0.00000e+00 0.00000e+00 4.02025e+01 346.561 1.35471e+01 346.561 0.8902 
1 1 1 20 1  7  o 11 9.94228e+01 3.35253e+01 2.84546e+01 74.246  8.43727e-01  2.99093e+00  0.00000e+00 0.00000e+00 1.07966e+01 74.246  1.76581e+01 254.246 0.8176 
1 1 1 20 1  8  o 2  8.20902e+01 3.22737e+01 9.82324e+00 274.019 6.65540e-02  -9.47269e-01 0.00000e+00 0.00000e+00 7.21540e+00 274.019 2.60784e+00 94.019  0.4282 
1 1 1 20 1  9  o 15 1.21622e+02 3.35714e+01 1.54858e+01 236.051 -1.20379e+00 -1.78814e+00 0.00000e+00 0.00000e+00 2.72410e+01 236.051 1.17551e+01 236.051 0.7217 
1 1 1 20 1  10 o 1  9.90162e+01 3.44172e+01 1.48414e+01 61.313  8.39086e-01  1.53347e+00  0.00000e+00 0.00000e+00 1.67212e+01 61.313  1.87986e+00 61.313  0.6517 
1 1 1 20 1  11 o 1  6.18750e+01 2.82597e+01 6.99431e+00 76.812  1.48320e-01  6.32952e-01  0.00000e+00 0.00000e+00 2.40661e+00 76.812  4.58769e+00 256.812 0.3090 
1 1 1 20 2  0  o 3  8.31162e+01 4.74532e+01 1.87626e+01 0.000   7.30083e-01  0.00000e+00  0.00000e+00 0.00000e+00 5.97677e+00 0.000   1.27858e+01 180.000 0.6231 
1 1 1 20 2  1  o 9  5.93985e+01 2.66397e+01 8.39651e+00 128.707 -3.11798e-01 3.89088e-01  0.00000e+00 0.00000e+00 1.53233e+00 308.707 9.92884e+00 308.707 0.2419 
1 1 1 20 2  2  o 10 5.78772e+01 2.69409e+01 2.11156e+01 233.630 -7.21117e-01 -9.79170e-01 0.00000e+00 0.00000e+00 6.78776e+00 53.630  2.79033e+01 53.630  0.5177 
1 1 1 20 2  3  o 2  8.49905e+01 3.28858e+01 4.26895e+00 16.619  3.18507e-01  9.50687e-02  0.00000e+00 0.00000e+00 2.40190e+00 16.619  1.86705e+00 196.619 0.1639 
1 1 1 20 2  4  o 7  1.01362e+02 3.43537e+01 2.29202e+01 106.111 -5.77011e-01 1.99760e+00  0.00000e+00 0.00000e+00 1.16138e+01 106.111 1.13064e+01 286.111 0.7104 
1 1 1 20 2  5  o 8  8.38854e+01 3.25088e+01 1.74021e+01 141.525 -1.30340e+00 1.03582e+00  0.00000e+00 0.00000e+00 8.17612e+00 141.525 9.22596e+00 321.525 0.6343 
1 1 1 20 2  6  f 0  1.82685e+02 3.91366e+01 1.46733e+01 322.013 2.12574e+00  -1.66001e+00 0.00000e+00 0.00000e+00 5.44397e+01 322.013 3.97664e+01 322.013 0.7848 
1 1 1 20 2  7  o 8  8.29562e+01 3.25481e+01 1.44396e+01 300.356 6.76153e-01  -1.15450e+00 0.00000e+00 0.00000e+00 7.76390e+00 300.356 6.67566e+00 120.356 0.5534 
1 1 1 20 2  8  o 3  5.85367e+01 2.70070e+01 8.24402e+00 100.606 -1.14768e-01 6.12896e-01  0.00000e+00 0.00000e+00 2.11097e-01 100.606 8.03292e+00 280.606 0.2975 
1 1 1 20 2  9  o 9  5.41588e+01 2.55945e+01 3.67083e+00 198.725 -2.65894e-01 -9.01314e-02 0.00000e+00 0.00000e+00 3.23013e-04 18.725  3.67116e+00 18.725  0.1390 
1 1 1 20 2  10 o 5  6.29262e+01 2.84606e+01 4.03560e+00 37.152  3.04182e-01  2.30485e-01  0.00000e+00 0.00000e+00 1.74207e+00 37.152  2.29354e+00 217.152 0.1874 
1 1 1 20 2  11 o 13 7.36410e+01 3.13257e+01 1.60359e+01 154.148 -1.50167e+00 7.27612e-01  0.00000e+00 0.00000e+00 6.99855e+00 154.148 9.03739e+00 334.148 0.6351 
1 1 1 20 3  0  o 4  7.91363e+01 4.59092e+01 1.09249e+01 180.000 -3.99061e-01 0.00000e+00  0.00000e+00 0.00000e+00 3.44565e+00 180.000 7.47923e+00 0.000   0.3791 
1 1 1 20 3  1  o 15 1.30520e+02 2.97609e+01 1.99758e+01 162.659 -2.38551e+00 7.44886e-01  0.00000e+00 0.00000e+00 2.78520e+01 162.659 7.87620e+00 162.659 0.7649 
1 1 1 20 3  2  o 2  7.83715e+01 3.20597e+01 6.61557e+00 129.155 -3.03626e-01 3.72878e-01  0.00000e+00 0.00000e+00 2.16693e+00 129.155 4.44864e+00 309.155 0.2337 
1 1 1 20 3  3  o 15 7.89910e+01 3.17446e+01 1.91307e+01 340.644 1.32639e+00  -4.65958e-01 0.00000e+00 0.00000e+00 2.55827e+00 340.644 1.65724e+01 160.644 0.5720 
1 1 1 20 3  4  f 0  8.02367e+01 3.16471e+01 2.30232e+01 339.561 2.00742e+00  -7.48117e-01 0.00000e+00 0.00000e+00 4.75057e+00 339.561 1.82726e+01 159.561 0.7198 
1 1 1 20 3  5  o 12 1.01035e+02 3.38244e+01 1.27152e+01 54.028  8.39592e-01  1.15679e+00  0.00000e+00 0.00000e+00 1.54402e+01 54.028  2.72502e+00 54.028  0.5782 
1 1 1 20 3  6  o 14 1.03748e+02 3.29077e+01 1.57941e+01 211.441 -1.55543e+00 -9.50955e-01 0.00000e+00 0.00000e+00 1.76251e+01 211.441 1.83106e+00 211.441 0.6665 
1 1 1 20 3  8  o 16 5.12976e+01 2.45380e+01 1.65576e+01 103.996 -2.76258e-01 1.10832e+00  0.00000e+00 0.00000e+00 4.21003e+00 283.996 2.07677e+01 283.996 0.4945 
1 1 1 20 3  10 o 9  8.34449e+01 3.30785e+01 1.14858e+01 171.939 -1.28965e+00 1.82640e-01  0.00000e+00 0.00000e+00 1.07861e+01 171.939 6.99705e-01 351.939 0.5434 
1 1 1 20 3  11 o 4  6.26391e+01 2.83755e+01 2.87396e+01 239.163 -1.38779e+00 -2.32462e+00 0.00000e+00 0.00000e+00 4.43473e+00 59.163  3.31744e+01 59.163  0.7858 
1 1 1 20 4  0  o 1  1.05602e+02 5.22671e+01 2.33437e+01 180.000 -1.06282e+00 0.00000e+00  0.00000e+00 0.00000e+00 1.65968e+01 180.000 6.74692e+00 0.000   0.7867 
1 1 1 20 4  1  o 8  4.64300e+01 2.23410e+01 5.15452e+00 144.329 -2.04305e-01 1.46650e-01  0.00000e+00 0.00000e+00 2.36904e+00 324.329 7.52356e+00 324.329 0.1248 
1 1 1 20 4  2  o 7  1.23106e+02 3.07568e+01 1.74785e+01 17.372  1.93741e+00  6.06096e-01  0.00000e+00 0.00000e+00 2.41473e+01 17.372  6.66881e+00 17.372  0.7026 
1 1 1 20 4  3  f 0  8.82172e+01 3.29647e+01 8.84971e+00 291.212 3.20106e-01  -8.24784e-01 0.00000e+00 0.00000e+00 8.32520e+00 291.212 5.24511e-01 111.212 0.4041 
1 1 1 20 4  4  o 9  1.64572e+02 2.86043e+01 2.66035e+01 236.040 -2.98509e+00 -4.43226e+00 0.00000e+00 0.00000e+00 4.49520e+01 236.040 1.83485e+01 236.040 0.9008 
1 1 1 20 4  5  o 2  1.81231e+02 2.70054e+01 1.31321e+01 68.119  1.10898e+00  2.76129e+00  0.00000e+00 0.00000e+00 5.77253e+01 68.119  4.45932e+01 68.119  0.8082 
1 1 1 20 4  6  o 4  6.92715e+01 2.98766e+01 2.13306e+01 11.598  1.69502e+00  3.47875e-01  0.00000e+00 0.00000e+00 4.50385e-01 11.598  2.08802e+01 191.598 0.6481 
1 1 1 20 4  7  o 12 9.23880e+01 3.36125e+01 9.18753e+00 131.218 -6.42943e-01 7.33972e-01  0.00000e+00 0.00000e+00 1.04960e+01 131.218 1.30844e+00 131.218 0.4377 
1 1 1 20 4  8  o 7  9.76452e+01 3.38979e+01 1.96743e+01 171.390 -2.16337e+00 3.27564e-01  0.00000e+00 0.00000e+00 1.49772e+01 171.390 4.69704e+00 351.390 0.7264 
1 1 1 20 4  9  o 18 7.21656e+01 3.02566e+01 1.21385e+01 131.760 -7.54386e-01 8.44924e-01  0.00000e+00 0.00000e+00 5.26276e+00 131.760 6.87570e+00 311.760 0.4914 
1 1 1 20 4  10 o 12 6.89451e+01 2.97981e+01 7.85418e+00 69.071  2.81922e-01  7.37157e-01  0.00000e+00 0.00000e+00 4.61283e+00 69.071  3.24135e+00 249.071 0.3668 
1 1 1 20 4  11 o 8  6.06409e+01 2.77529e+01 4.02083e+00 226.687 -2.54534e-01 -2.69985e-01 0.00000e+00 0.00000e+00 1.46150e+00 226.687 2.55933e+00 46.687  0.1824 
1 1 1 20 5  0  o 2  6.50100e+01 4.06357e+01 1.67157e+01 180.000 -6.63488e-01 0.00000e+00  0.00000e+00 0.00000e+00 1.51965e+00 180.000 1.51960e+01 0.000   0.5807 
1 1 1 20 5  1  o 2  8.53002e+01 3.34459e+01 2.97010e+01 7.793   2.82057e+00  3.86004e-01  0.00000e+00 0.00000e+00 3.18838e+00 7.793   2.65126e+01 187.793 0.7980 
1 1 1 20 5  2  o 8  6.92904e+01 2.86487e+01 8.94826e+00 24.534  6.89015e-01  3.14490e-01  0.00000e+00 0.00000e+00 2.90928e+00 24.534  6.03897e+00 204.534 0.3539 
1 1 1 20 5  3  o 12 1.08524e+02 3.40044e+01 2.74336e+01 188.673 -3.26664e+00 -4.98291e-01 0.00000e+00 0.00000e+00 1.61869e+01 188.673 1.12467e+01 8.673   0.8302 
1 1 1 20 5  4  o 2  7.22770e+01 3.04625e+01 1.77881e+01 238.120 -7.90099e-01 -1.27035e+00 0.00000e+00 0.00000e+00 3.07470e+00 238.120 1.47134e+01 58.120  0.5951 
1 1 1 20 5  5  o 3  7.84205e+01 3.13318e+01 3.46859e+00 75.338  7.87311e-02  3.00907e-01  0.00000e+00 0.00000e+00 2.38937e+00 75.338  1.07922e+00 255.337 0.1537 
1 1 1 20 5  6  o 8  6.87682e+01 2.94880e+01 2.53091e+00 339.312 2.02218e-01  -7.63637e-02 0.00000e+00 0.00000e+00 1.07106e+00 339.312 1.45984e+00 159.312 0.1075 
1 1 1 20 5  7  o 11 1.63601e+02 2.86326e+01 1.68285e+01 85.490  2.72060e-01  3.44909e+00  0.00000e+00 0.00000e+00 5.02988e+01 85.490  3.34703e+01 85.490  0.8390 
1 1 1 20 5  8  o 5  1.13630e+02 3.41643e+01 2.23350e+01 40.882  2.30310e+00  1.99372e+00  0.00000e+00 0.00000e+00 2.30353e+01 40.882  7.00335e-01 40.882  0.8133 
1 1 1 20 5  9  f 0  1.31700e+02 3.34608e+01 1.28593e+01 198.686 -2.16438e+00 -7.32005e-01 0.00000e+00 0.00000e+00 3.51521e+01 198.686 2.22928e+01 198.686 0.7394 
1 1 1 20 5  10 o 1  6.75445e+01 2.94326e+01 1.54945e+01 251.732 -4.83419e-01 -1.46446e+00 0.00000e+00 0.00000e+00 4.79591e+00 251.732 1.06985e+01 71.732  0.6064 
1 1 1 20 6  0  o 4  8.11125e+01 4.62250e+01 9.27398e+00 0.000   4.27601e-01  0.00000e+00  0.00000e+00 0.00000e+00 6.62153e+00 0.000   2.65245e+00 180.000 0.4033 
1 1 1 20 6  1  o 1  1.10680e+02 3.53939e+01 2.24912e+01 55.981  1.50621e+00  2.23145e+00  0.00000e+00 0.00000e+00 1.97026e+01 55.981  2.78863e+00 235.981 0.7844 
1 1 1 20 6  2  f 0  1.36500e+02 2.87984e+01 2.32489e+01 239.128 -1.95136e+00 -3.26414e+00 0.00000e+00 0.00000e+00 3.35490e+01 239.128 1.03001e+01 239.128 0.8555 
1 1 1 20 6  3  o 14 6.83947e+01 2.84613e+01 1.66552e+01 219.675 -1.05521e+00 -8.75261e-01 0.00000e+00 0.00000e+00 2.08324e+00 219.675 1.45720e+01 39.675  0.5626 
1 1 1 20 6  4  o 4  2.10797e+02 2.49134e+01 3.34626e+01 40.787  6.79263e+00  5.86054e+00  0.00000e+00 0.00000e+00 6.34635e+01 40.787  3.00009e+01 40.787  0.9425 
1 1 1 20 6  5  o 8  5.33193e+01 2.50603e+01 1.32609e+00 136.095 -6.83374e-02 6.57730e-02  0.00000e+00 0.00000e+00 9.10731e-02 316.095 1.41717e+00 316.095 0.0474 
1 1 1 20 6  6  o 2  9.32850e+01 3.32608e+01 2.16411e+01 190.844 -2.29253e+00 -4.39153e-01 0.00000e+00 0.00000e+00 1.24671e+01 190.844 9.17399e+00 10.844  0.7457 
1 1 1 20 6  7  o 9  1.14300e+02 3.39995e+01 3.28744e+01 136.817 -3.30425e+00 3.10107e+00  0.00000e+00 0.00000e+00 1.66769e+01 136.817 1.61975e+01 316.817 0.8813 
1 1 1 20 6  8  o 8  1.07339e+02 3.40004e+01 1.34734e+01 22.430  1.78499e+00  7.36829e-01  0.00000e+00 0.00000e+00 2.28942e+01 22.430  9.42084e+00 22.430  0.6861 
1 1 1 20 6  10 o 18 6.81003e+01 2.98549e+01 1.19833e+01 243.719 -5.26502e-01 -1.06619e+00 0.00000e+00 0.00000e+00 5.30278e+00 243.719 6.68052e+00 63.719  0.5094 
1 1 1 20 7  0  o 4  5.21636e+01 3.52370e+01 2.27959e+01 0.000   7.57825e-01  0.00000e+00  0.00000e+00 0.00000e+00 6.46682e+00 180.000 2.92627e+01 180.000 0.6398 
1 1 1 20 7  1  o 11 7.09625e+01 3.04110e+01 1.78507e+01 149.623 -1.27198e+00 7.45578e-01  0.00000e+00 0.00000e+00 2.63026e+00 149.623 1.52204e+01 329.623 0.5897 
1 1 1 20 7  2  o 8  7.76409e+01 3.00611e+01 8.25044e+00 296.286 3.31921e-01  -6.72007e-01 0.00000e+00 0.00000e+00 5.08478e+00 296.286 3.16566e+00 116.286 0.3507 
1 1 1 20 7  3  o 18 1.09504e+02 3.07724e+01 1.31642e+01 316.291 1.26753e+00  -1.21166e+00 0.00000e+00 0.00000e+00 2.18935e+01 316.291 8.72929e+00 316.291 0.6528 
1 1 1 20 7  4  o 12 1.10245e+02 3.43759e+01 2.90945e+01 115.222 -1.55097e+00 3.29271e+00  0.00000e+00 0.00000e+00 1.68360e+01 115.222 1.22585e+01 295.222 0.8481 
1 1 1 20 7  5  o 11 1.42826e+02 3.08810e+01 1.14898e+01 204.486 -1.80550e+00 -8.22277e-01 0.00000e+00 0.00000e+00 3.73930e+01 204.486 2.59032e+01 204.486 0.6951 
1 1 1 20 7  6  o 9  8.12330e+01 3.17067e+01 1.49115e+01 324.058 1.23886e+00  -8.98151e-01 0.00000e+00 0.00000e+00 9.29377e+00 324.058 5.61768e+00 144.058 0.6035 
1 1 1 20 7  7  o 2  8.41840e+01 3.21405e+01 1.77445e+01 97.049  -2.55349e-01 2.06512e+00  0.00000e+00 0.00000e+00 1.18890e+01 97.049  5.85554e+00 277.049 0.7106 
1 1 1 20 7  8  o 7  8.88216e+01 3.29924e+01 1.48427e+01 180.096 -1.79523e+00 -3.02190e-03 0.00000e+00 0.00000e+00 1.43555e+01 180.096 4.87190e-01 0.096   0.6611 
1 1 1 20 7  9  o 11 7.75548e+01 3.16245e+01 1.18079e+01 285.203 3.37270e-01  -1.24112e+00 0.00000e+00 0.00000e+00 9.05336e+00 285.203 2.75457e+00 105.203 0.5387 
1 1 1 20 8  0  o 12 5.88072e+01 3.85776e+01 2.49618e+00 180.000 -9.50055e-02 0.00000e+00  0.00000e+00 0.00000e+00 2.51093e-01 180.000 2.24509e+00 0.000   0.0947 
1 1 1 20 8  2  o 3  1.24696e+02 3.52451e+01 2.16618e+01 345.302 2.91500e+00  -7.64642e-01 0.00000e+00 0.00000e+00 2.82645e+01 345.302 6.60264e+00 345.302 0.8110 
1 1 1 20 8  3  o 16 2.08383e+02 2.62922e+01 3.93907e+01 61.892  5.07977e+00  9.51047e+00  0.00000e+00 0.00000e+00 5.87182e+01 61.892  1.93276e+01 61.892  0.9524 
1 1 1 20 8  4  o 7  1.53687e+02 2.72135e+01 4.18350e+01 154.826 -8.03210e+00 3.77517e+00  0.00000e+00 0.00000e+00 2.98451e+01 154.826 1.19899e+01 334.826 0.9419 
1 1 1 20 8  5  o 5  7.56928e+01 3.07692e+01 7.04659e+00 155.782 -6.25831e-01 2.81492e-01  0.00000e+00 0.00000e+00 5.13981e+00 155.782 1.90678e+00 335.782 0.3244 
1 1 1 20 8  6  o 8  1.29232e+02 3.24029e+01 2.13530e+01 18.784  3.61786e+00  1.23050e+00  0.00000e+00 0.00000e+00 3.37225e+01 18.784  1.23695e+01 18.784  0.8563 
1 1 1 20 8  7  o 7  4.46598e+01 2.17992e+01 1.11025e+01 328.539 7.32180e-01  -4.48003e-01 0.00000e+00 0.00000e+00 2.31698e+00 148.539 1.34195e+01 148.539 0.3940 
1 1 1 20 8  8  o 6  9.53254e+01 3.33493e+01 2.65761e+01 291.503 1.25592e+00  -3.18783e+00 0.00000e+00 0.00000e+00 1.34232e+01 291.503 1.31529e+01 111.503 0.8372 
1 1 1 20 9  0  o 14 1.59217e+02 4.99209e+01 8.66848e+00 180.000 -8.12421e-01 0.00000e+00  0.00000e+00 0.00000e+00 4.44966e+01 180.000 3.58281e+01 180.000 0.6709 
1 1 1 20 9  1  o 15 9.95038e+01 3.48629e+01 2.31444e+01 345.385 2.64656e+00  -6.90095e-01 0.00000e+00 0.00000e+00 1.59049e+01 345.385 7.23954e+00 165.385 0.7883 
1 1 1 20 9  2  o 9  6.71015e+01 2.97074e+01 5.71112e+00 318.385 3.77118e-01  -3.34999e-01 0.00000e+00 0.00000e+00 2.46298e+00 318.385 3.24814e+00 138.385 0.2445 
1 1 1 20 9  3  f 0  1.08054e+02 3.11205e+01 2.49341e+01 169.999 -3.39240e+00 5.98224e-01  0.00000e+00 0.00000e+00 2.02429e+01 169.999 4.69121e+00 349.999 0.8382 
1 1 1 20 9  4  o 18 1.16812e+02 3.04602e+01 1.33448e+01 228.194 -1.50444e+00 -1.68225e+00 0.00000e+00 0.00000e+00 2.96021e+01 228.194 1.62573e+01 228.194 0.7357 
1 1 1 20 9  5  f 0  1.46290e+02 3.13280e+01 2.23517e+01 15.445  4.46620e+00  1.23395e+00  0.00000e+00 0.00000e+00 4.24268e+01 15.445  2.00751e+01 15.445  0.8841 
1 1 1 20 10 0  o 12 5.99544e+01 3.84651e+01 5.78844e-01 0.000   2.69686e-02  0.00000e+00  0.00000e+00 0.00000e+00 2.33868e-01 0.000   3.44976e-01 180.000 0.0270 
1 1 1 20 10 1  o 1  1.55891e+02 3.12088e+01 2.89118e+01 16.906  6.13879e+00  1.86583e+00  0.00000e+00 0.00000e+00 4.30849e+01 16.906  1.41731e+01 16.906  0.9184 
1 1 1 20 10 2  o 5  8.24601e+01 3.23570e+01 2.63283e+01 108.920 -9.75857e-01 2.84707e+00  0.00000e+00 0.00000e+00 7.31529e+00 108.920 1.90130e+01 288.920 0.8107 
1 1 1 20 10 3  o 9  1.52499e+02 2.65808e+01 2.90491e+01 178.052 -6.99223e+00 2.37801e-01  0.00000e+00 0.00000e+00 4.20703e+01 178.052 1.30212e+01 178.052 0.9255 
1 1 1 20 10 4  o 12 9.26896e+01 3.10588e+01 2.75055e+01 325.192 2.99292e+00  -2.08072e+00 0.00000e+00 0.00000e+00 1.21876e+01 325.192 1.53179e+01 145.192 0.8483 
1 1 1 20 10 5  o 1  7.16535e+01 3.03317e+01 1.89929e+01 348.834 1.93595e+00  -3.82146e-01 0.00000e+00 0.00000e+00 6.14240e+00 348.834 1.28505e+01 168.834 0.6933 
1 1 1 20 11 0  o 5  6.62847e+01 4.11260e+01 8.48861e+00 0.000   4.20216e-01  0.00000e+00  0.00000e+00 0.00000e+00 4.89431e+00 0.000   3.59430e+00 180.000 0.3971 
1 1 1 20 11 1  o 1  5.15272e+01 2.45048e+01 1.13169e+01 38.794  7.48367e-01  6.01571e-01  0.00000e+00 0.00000e+00 5.97802e-03 38.794  1.13109e+01 218.794 0.4321 
# 
#END OF REFLECTIONS
