data_r5ax3sf
# 
_audit.revision_id     1_0 
_audit.creation_date   2016-02-10 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5ax3 
_cell.length_a      43.8350 
_cell.length_b      66.4650 
_cell.length_c      116.8710 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.98000 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.984 
_diffrn_reflns.pdbx_d_res_low    58.436 
_diffrn_reflns.limit_h_max       14 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       22 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       39 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            7387 
_diffrn_reflns.pdbx_number_obs   7357 
# 
_entry.id   5ax3 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5ax3 
_symmetry.space_group_name_H-M   "P 21 21 21" 
_symmetry.Int_Tables_number      19 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"           
2 "-X+1/2,  -Y,  Z+1/2" 
3 "X+1/2,  -Y+1/2,  -Z" 
4 "-X,  Y+1/2,  -Z+1/2" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 0  0  2  x ?       ?      ?              ?         
1 1 1 0  0  4  o 94.530  1.6870 -0.000000      0.000000  
1 1 1 0  0  6  o 97.540  1.7500 -0.000000      0.000000  
1 1 1 0  0  8  o 77.870  1.4320 -0.000000      0.000000  
1 1 1 0  0  10 o 31.090  0.7962 -0.000000      0.000000  
1 1 1 0  0  12 o 45.100  0.8457 -0.000000      0.000000  
1 1 1 0  0  14 o 260.700 3.2810 -0.000000      0.000000  
1 1 1 0  0  16 o 129.700 1.6730 -0.000000      0.000000  
1 1 1 0  0  18 o 26.010  1.7890 -0.000000      0.000000  
1 1 1 0  0  20 o 164.800 2.1180 -0.000000      0.000000  
1 1 1 0  0  22 o 61.290  1.2450 -0.000000      0.000000  
1 1 1 0  0  24 o 18.070  3.8960 -0.000000      0.000000  
1 1 1 0  0  26 o 76.290  1.3870 -0.000000      0.000000  
1 1 1 0  0  28 o 16.170  5.1150 -0.000000      0.000000  
1 1 1 0  0  30 o 14.210  5.5840 -0.000000      0.000000  
1 1 1 0  0  32 o 18.930  4.8830 -0.000000      0.000000  
1 1 1 0  0  34 o 11.330  5.8230 -0.000000      0.000000  
1 1 1 0  0  36 o 5.8260  4.0470 -0.000000      0.000000  
1 1 1 0  0  38 o 4.5630  3.3230 -0.000000      0.000000  
1 1 1 0  1  1  x ?       ?      ?              ?         
1 1 1 0  1  2  o 45.820  0.4922 -0.000000      0.000000  
1 1 1 0  1  3  o 79.390  0.7094 -0.000000      0.000000  
1 1 1 0  1  4  o 40.000  0.3960 -0.000000      0.000000  
1 1 1 0  1  5  o 52.260  0.4941 -0.000000      0.000000  
1 1 1 0  1  6  o 72.110  0.6583 -0.000000      0.000000  
1 1 1 0  1  7  o 216.900 3.8600 -0.000000      0.000000  
1 1 1 0  1  8  o 154.600 1.3760 -0.000000      0.000000  
1 1 1 0  1  9  o 209.500 1.8590 -0.000000      0.000000  
1 1 1 0  1  10 o 153.900 1.3730 -0.000000      0.000000  
1 1 1 0  1  11 o 94.010  0.8679 -0.000000      0.000000  
1 1 1 0  1  12 o 11.410  1.7490 -0.000000      0.000000  
1 1 1 0  1  13 o 74.060  0.7369 -0.000000      0.000000  
1 1 1 0  1  14 o 24.020  1.1850 -0.000000      0.000000  
1 1 1 0  1  15 o 168.700 1.7480 -0.000000      0.000000  
1 1 1 0  1  16 o 55.310  0.8354 -0.000000      0.000000  
1 1 1 0  1  17 o 37.570  1.0110 -0.000000      0.000000  
1 1 1 0  1  18 f 11.390  3.6520 -0.000000      0.000000  
1 1 1 0  1  19 o 17.490  2.3070 -0.000000      0.000000  
1 1 1 0  1  20 o 17.060  2.7320 -0.000000      0.000000  
1 1 1 0  1  21 o 5.5170  3.4790 -0.000000      0.000000  
1 1 1 0  1  22 o 51.870  0.9678 -0.000000      0.000000  
1 1 1 0  1  23 o 37.100  1.2840 -0.000000      0.000000  
1 1 1 0  1  24 o 20.600  2.3180 -0.000000      0.000000  
1 1 1 0  1  25 o 82.220  1.1570 -0.000000      0.000000  
1 1 1 0  1  26 o 34.440  1.8010 -0.000000      0.000000  
1 1 1 0  1  27 o 46.010  1.4530 -0.000000      0.000000  
1 1 1 0  1  28 o 11.920  5.1610 -0.000000      0.000000  
1 1 1 0  1  29 o 17.790  4.1820 -0.000000      0.000000  
1 1 1 0  1  30 o 4.2810  3.0820 -0.000000      0.000000  
1 1 1 0  1  31 o 18.910  3.6670 -0.000000      0.000000  
1 1 1 0  1  32 o 16.690  4.0620 -0.000000      0.000000  
1 1 1 0  1  33 o 44.760  1.4440 -0.000000      0.000000  
1 1 1 0  1  34 o 9.8540  5.0090 -0.000000      0.000000  
1 1 1 0  1  35 o 5.6320  3.7770 -0.000000      0.000000  
1 1 1 0  1  36 o 7.4010  4.4780 -0.000000      0.000000  
1 1 1 0  1  37 o 8.0500  4.6810 -0.000000      0.000000  
1 1 1 0  1  38 o 6.4120  4.1420 -0.000000      0.000000  
1 1 1 0  1  39 f 25.000  3.6510 -0.000000      0.000000  
1 1 1 0  2  0  x ?       ?      ?              ?         
1 1 1 0  2  1  o 51.830  0.4888 -0.000000      0.000000  
1 1 1 0  2  2  o 55.340  0.5947 -0.000000      0.000000  
1 1 1 0  2  3  o 112.400 1.1580 -0.000000      0.000000  
1 1 1 0  2  4  o 4.6370  1.7820 -0.000000      0.000000  
1 1 1 0  2  5  o 18.820  0.5526 -0.000000      0.000000  
1 1 1 0  2  6  f 75.320  0.6936 -0.000000      0.000000  
1 1 1 0  2  7  o 73.830  0.9727 -0.000000      0.000000  
1 1 1 0  2  8  o 50.580  0.5422 -0.000000      0.000000  
1 1 1 0  2  9  o 129.200 1.1590 -0.000000      0.000000  
1 1 1 0  2  10 o 67.650  0.9375 -0.000000      0.000000  
1 1 1 0  2  11 f 173.500 1.5470 -0.000000      0.000000  
1 1 1 0  2  12 o 106.700 0.9818 -0.000000      0.000000  
1 1 1 0  2  13 o 24.460  0.8909 -0.000000      0.000000  
1 1 1 0  2  14 o 78.850  0.7816 -0.000000      0.000000  
1 1 1 0  2  15 o 42.450  0.7197 -0.000000      0.000000  
1 1 1 0  2  16 o 12.910  2.4340 -0.000000      0.000000  
1 1 1 0  2  17 o 33.410  1.0120 -0.000000      0.000000  
1 1 1 0  2  18 o 23.330  1.4640 -0.000000      0.000000  
1 1 1 0  2  19 o 5.8140  3.4640 -0.000000      0.000000  
1 1 1 0  2  20 o 60.350  0.8540 -0.000000      0.000000  
1 1 1 0  2  21 o 63.190  0.8726 -0.000000      0.000000  
1 1 1 0  2  22 o 46.330  1.0050 -0.000000      0.000000  
1 1 1 0  2  23 o 39.180  1.4530 -0.000000      0.000000  
1 1 1 0  2  24 o 60.380  0.9555 -0.000000      0.000000  
1 1 1 0  2  25 o 59.470  1.0330 -0.000000      0.000000  
1 1 1 0  2  26 o 50.520  1.1450 -0.000000      0.000000  
1 1 1 0  2  27 o 15.490  3.8490 -0.000000      0.000000  
1 1 1 0  2  28 o 18.150  3.3690 -0.000000      0.000000  
1 1 1 0  2  29 o 12.730  4.6580 -0.000000      0.000000  
1 1 1 0  2  30 o 38.490  1.5390 -0.000000      0.000000  
1 1 1 0  2  31 o 47.260  1.2930 -0.000000      0.000000  
1 1 1 0  2  32 o 24.410  2.4280 -0.000000      0.000000  
1 1 1 0  2  33 o 28.100  2.1500 -0.000000      0.000000  
1 1 1 0  2  34 o 19.960  3.2210 -0.000000      0.000000  
1 1 1 0  2  35 o 4.6680  3.3060 -0.000000      0.000000  
1 1 1 0  2  36 o 12.660  5.1290 -0.000000      0.000000  
1 1 1 0  2  37 o 13.690  4.9730 -0.000000      0.000000  
1 1 1 0  2  38 f 6.5800  4.3880 -0.000000      0.000000  
1 1 1 0  2  39 x ?       ?      ?              ?         
1 1 1 0  3  1  o 52.410  0.5170 -0.000000      0.000000  
1 1 1 0  3  2  o 4.4760  2.0420 -0.000000      0.000000  
1 1 1 0  3  3  o 27.940  0.6739 -0.000000      0.000000  
1 1 1 0  3  4  f 96.200  0.8728 -0.000000      0.000000  
1 1 1 0  3  5  o 25.010  0.5762 -0.000000      0.000000  
1 1 1 0  3  6  o 20.970  0.6912 -0.000000      0.000000  
1 1 1 0  3  7  o 176.500 1.5730 -0.000000      0.000000  
1 1 1 0  3  8  o 44.640  0.5557 -0.000000      0.000000  
1 1 1 0  3  9  x ?       ?      ?              ?         
1 1 1 0  3  10 o 36.840  0.6514 -0.000000      0.000000  
1 1 1 0  3  11 o 41.810  0.6477 -0.000000      0.000000  
1 1 1 0  3  12 o 9.2870  2.5600 -0.000000      0.000000  
1 1 1 0  3  13 o 75.310  0.8848 -0.000000      0.000000  
1 1 1 0  3  14 o 151.200 1.3660 -0.000000      0.000000  
1 1 1 0  3  15 o 150.200 1.3570 -0.000000      0.000000  
1 1 1 0  3  16 o 24.920  1.2710 -0.000000      0.000000  
1 1 1 0  3  17 o 54.530  0.8072 -0.000000      0.000000  
1 1 1 0  3  18 o 83.170  0.8759 -0.000000      0.000000  
1 1 1 0  3  19 o 22.930  1.6180 -0.000000      0.000000  
1 1 1 0  3  20 o 30.400  1.2890 -0.000000      0.000000  
1 1 1 0  3  21 o 47.440  0.9916 -0.000000      0.000000  
1 1 1 0  3  22 o 41.060  1.1090 -0.000000      0.000000  
1 1 1 0  3  23 o 5.1050  3.3800 -0.000000      0.000000  
1 1 1 0  3  24 o 33.190  1.4870 -0.000000      0.000000  
1 1 1 0  3  25 o 28.720  1.7500 -0.000000      0.000000  
1 1 1 0  3  26 o 153.700 1.4350 -0.000000      0.000000  
1 1 1 0  3  27 o 11.440  4.7300 -0.000000      0.000000  
1 1 1 0  3  28 f 27.490  2.0280 -0.000000      0.000000  
1 1 1 0  3  29 o 23.570  2.4730 -0.000000      0.000000  
1 1 1 0  3  30 o 11.790  4.7290 -0.000000      0.000000  
1 1 1 0  3  31 o 40.160  1.5090 -0.000000      0.000000  
1 1 1 0  3  32 o 19.180  3.1620 -0.000000      0.000000  
1 1 1 0  3  33 o 34.690  1.6630 -0.000000      0.000000  
1 1 1 0  3  34 o 12.850  4.7870 -0.000000      0.000000  
1 1 1 0  3  35 o 9.3530  4.8330 -0.000000      0.000000  
1 1 1 0  3  36 o 19.040  3.3410 -0.000000      0.000000  
1 1 1 0  3  37 o 7.0490  4.3710 -0.000000      0.000000  
1 1 1 0  3  38 o 5.5050  3.7940 -0.000000      0.000000  
1 1 1 0  4  0  x ?       ?      ?              ?         
1 1 1 0  4  1  o 45.180  0.7404 -0.000000      0.000000  
1 1 1 0  4  2  o 182.800 3.2660 -0.000000      0.000000  
1 1 1 0  4  3  o 4.9270  2.4220 -0.000000      0.000000  
1 1 1 0  4  4  o 128.100 1.3320 -0.000000      0.000000  
1 1 1 0  4  5  o 29.240  0.8019 -0.000000      0.000000  
1 1 1 0  4  6  o 119.700 1.0850 -0.000000      0.000000  
1 1 1 0  4  7  o 97.040  0.9021 -0.000000      0.000000  
1 1 1 0  4  8  o 52.330  0.6283 -0.000000      0.000000  
1 1 1 0  4  9  o 52.870  0.6685 -0.000000      0.000000  
1 1 1 0  4  10 f 68.250  0.7127 -0.000000      0.000000  
1 1 1 0  4  11 o 41.690  0.6934 -0.000000      0.000000  
1 1 1 0  4  12 o 32.470  0.9248 -0.000000      0.000000  
1 1 1 0  4  13 o 30.230  0.9154 -0.000000      0.000000  
1 1 1 0  4  14 o 50.790  0.7446 -0.000000      0.000000  
1 1 1 0  4  15 o 32.810  0.9391 -0.000000      0.000000  
1 1 1 0  4  16 o 48.570  0.8359 -0.000000      0.000000  
1 1 1 0  4  17 o 63.240  0.8160 -0.000000      0.000000  
1 1 1 0  4  18 o 43.250  0.9368 -0.000000      0.000000  
1 1 1 0  4  19 o 67.630  0.8741 -0.000000      0.000000  
1 1 1 0  4  20 o 76.490  0.8904 -0.000000      0.000000  
1 1 1 0  4  21 o 6.1610  3.7230 -0.000000      0.000000  
1 1 1 0  4  22 o 113.000 1.1150 -0.000000      0.000000  
1 1 1 0  4  23 o 36.710  1.2940 -0.000000      0.000000  
1 1 1 0  4  24 o 52.960  1.1220 -0.000000      0.000000  
1 1 1 0  4  25 o 35.100  1.5650 -0.000000      0.000000  
1 1 1 0  4  26 o 38.160  1.5980 -0.000000      0.000000  
1 1 1 0  4  27 o 28.910  1.9030 -0.000000      0.000000  
1 1 1 0  4  28 o 7.4020  4.4600 -0.000000      0.000000  
1 1 1 0  4  29 o 11.160  4.9530 -0.000000      0.000000  
1 1 1 0  4  30 o 11.090  5.0270 -0.000000      0.000000  
1 1 1 0  4  31 o 17.680  3.8440 -0.000000      0.000000  
1 1 1 0  4  32 o 25.350  2.4270 -0.000000      0.000000  
1 1 1 0  4  33 o 11.680  4.9540 -0.000000      0.000000  
1 1 1 0  4  34 o 6.9920  4.3320 -0.000000      0.000000  
1 1 1 0  4  35 o 5.5630  3.7390 -0.000000      0.000000  
1 1 1 0  4  36 o 9.6550  4.9540 -0.000000      0.000000  
1 1 1 0  4  37 o 5.2140  3.6560 -0.000000      0.000000  
1 1 1 0  4  38 o 16.970  4.7020 -0.000000      0.000000  
1 1 1 0  5  1  o 64.280  0.6589 -0.000000      0.000000  
1 1 1 0  5  2  o 90.470  0.9810 -0.000000      0.000000  
1 1 1 0  5  3  o 90.090  0.8538 -0.000000      0.000000  
1 1 1 0  5  4  o 119.600 1.0930 -0.000000      0.000000  
1 1 1 0  5  5  o 85.080  0.8254 -0.000000      0.000000  
1 1 1 0  5  6  o 149.800 1.3510 -0.000000      0.000000  
1 1 1 0  5  7  o 35.190  0.7368 -0.000000      0.000000  
1 1 1 0  5  8  o 35.020  0.7945 -0.000000      0.000000  
1 1 1 0  5  9  o 67.890  0.7456 -0.000000      0.000000  
1 1 1 0  5  10 o 20.330  1.2540 -0.000000      0.000000  
1 1 1 0  5  11 o 55.500  0.7307 -0.000000      0.000000  
1 1 1 0  5  12 f 113.000 1.0570 -0.000000      0.000000  
1 1 1 0  5  13 o 109.700 1.0370 -0.000000      0.000000  
1 1 1 0  5  14 o 9.9540  3.4300 -0.000000      0.000000  
1 1 1 0  5  15 o 110.800 1.0650 -0.000000      0.000000  
1 1 1 0  5  16 o 54.450  0.8476 -0.000000      0.000000  
1 1 1 0  5  17 o 85.580  0.9138 -0.000000      0.000000  
1 1 1 0  5  18 o 54.760  0.8792 -0.000000      0.000000  
1 1 1 0  5  19 o 22.260  1.8080 -0.000000      0.000000  
1 1 1 0  5  20 o 9.7380  4.1010 -0.000000      0.000000  
1 1 1 0  5  21 o 34.040  1.3130 -0.000000      0.000000  
1 1 1 0  5  22 o 6.5380  3.9070 -0.000000      0.000000  
1 1 1 0  5  23 o 4.9480  3.3180 -0.000000      0.000000  
1 1 1 0  5  24 o 30.760  1.6550 -0.000000      0.000000  
1 1 1 0  5  25 o 57.030  1.1330 -0.000000      0.000000  
1 1 1 0  5  26 f 14.650  4.1870 -0.000000      0.000000  
1 1 1 0  5  27 o 24.690  2.2480 -0.000000      0.000000  
1 1 1 0  5  28 o 27.200  2.0630 -0.000000      0.000000  
1 1 1 0  5  29 o 21.310  2.8540 -0.000000      0.000000  
1 1 1 0  5  30 o 46.500  1.3420 -0.000000      0.000000  
1 1 1 0  5  31 o 22.960  2.6180 -0.000000      0.000000  
1 1 1 0  5  32 o 7.0180  4.3600 -0.000000      0.000000  
1 1 1 0  5  33 o 6.1000  4.0160 -0.000000      0.000000  
1 1 1 0  5  34 o 8.4910  4.8490 -0.000000      0.000000  
1 1 1 0  5  35 f 11.160  5.2020 -0.000000      0.000000  
1 1 1 0  5  36 o 13.870  5.1800 -0.000000      0.000000  
1 1 1 0  5  37 o 11.720  5.2200 -0.000000      0.000000  
1 1 1 0  5  38 o 4.6280  3.3230 -0.000000      0.000000  
1 1 1 0  6  0  x ?       ?      ?              ?         
1 1 1 0  6  1  o 140.000 1.4690 -0.000000      0.000000  
1 1 1 0  6  2  o 220.400 2.7830 -0.000000      0.000000  
1 1 1 0  6  3  o 55.380  0.6899 -0.000000      0.000000  
1 1 1 0  6  4  o 184.300 1.6540 -0.000000      0.000000  
1 1 1 0  6  5  o 71.770  0.7650 -0.000000      0.000000  
1 1 1 0  6  6  o 136.900 1.2530 -0.000000      0.000000  
1 1 1 0  6  7  o 306.300 3.8570 -0.000000      0.000000  
1 1 1 0  6  8  o 62.320  0.7521 -0.000000      0.000000  
1 1 1 0  6  9  o 43.870  0.7823 -0.000000      0.000000  
1 1 1 0  6  10 o 19.970  2.1580 -0.000000      0.000000  
1 1 1 0  6  11 o 83.590  1.0050 -0.000000      0.000000  
1 1 1 0  6  12 o 12.040  3.1410 -0.000000      0.000000  
1 1 1 0  6  13 o 66.810  0.8038 -0.000000      0.000000  
1 1 1 0  6  14 o 44.220  0.8961 -0.000000      0.000000  
1 1 1 0  6  15 o 75.430  0.8718 -0.000000      0.000000  
1 1 1 0  6  16 o 8.0610  3.9750 -0.000000      0.000000  
1 1 1 0  6  17 o 36.040  1.1390 -0.000000      0.000000  
1 1 1 0  6  18 o 120.500 1.1580 -0.000000      0.000000  
1 1 1 0  6  19 o 60.250  0.9397 -0.000000      0.000000  
1 1 1 0  6  20 o 43.210  1.1180 -0.000000      0.000000  
1 1 1 0  6  21 o 47.690  1.1080 -0.000000      0.000000  
1 1 1 0  6  22 o 155.700 1.4510 -0.000000      0.000000  
1 1 1 0  6  23 o 122.600 1.2150 -0.000000      0.000000  
1 1 1 0  6  24 o 73.280  1.0280 -0.000000      0.000000  
1 1 1 0  6  25 o 5.0290  3.4330 -0.000000      0.000000  
1 1 1 0  6  26 o 57.390  1.1520 -0.000000      0.000000  
1 1 1 0  6  27 o 38.250  1.6820 -0.000000      0.000000  
1 1 1 0  6  28 o 104.100 1.1600 -0.000000      0.000000  
1 1 1 0  6  29 o 22.070  2.7490 -0.000000      0.000000  
1 1 1 0  6  30 o 45.920  1.3700 -0.000000      0.000000  
1 1 1 0  6  31 o 18.140  3.9600 -0.000000      0.000000  
1 1 1 0  6  32 o 23.820  2.6410 -0.000000      0.000000  
1 1 1 0  6  33 o 9.0300  4.8700 -0.000000      0.000000  
1 1 1 0  6  34 o 8.0620  4.7230 -0.000000      0.000000  
1 1 1 0  6  35 o 32.740  2.0280 -0.000000      0.000000  
1 1 1 0  6  36 o 8.9070  4.9570 -0.000000      0.000000  
1 1 1 0  6  37 o 4.7220  3.3590 -0.000000      0.000000  
1 1 1 0  7  1  f 150.000 1.3660 -0.000000      0.000000  
1 1 1 0  7  2  o 78.660  0.8189 -0.000000      0.000000  
1 1 1 0  7  3  o 91.000  0.9066 -0.000000      0.000000  
1 1 1 0  7  4  o 164.900 1.4970 -0.000000      0.000000  
1 1 1 0  7  5  o 239.700 2.1430 -0.000000      0.000000  
1 1 1 0  7  6  o 36.920  1.0130 -0.000000      0.000000  
1 1 1 0  7  7  o 214.000 1.9200 -0.000000      0.000000  
1 1 1 0  7  8  f 189.000 1.7020 -0.000000      0.000000  
1 1 1 0  7  9  o 104.700 1.0190 -0.000000      0.000000  
1 1 1 0  7  10 o 105.400 1.0260 -0.000000      0.000000  
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1 1 1 0  16 24 o 23.820  3.2350 -0.000000      0.000000  
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1 1 1 0  17 3  o 13.480  5.7450 -0.000000      0.000000  
1 1 1 0  17 4  o 11.400  5.6490 -0.000000      0.000000  
1 1 1 0  17 5  o 19.960  4.6240 -0.000000      0.000000  
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1 1 1 0  17 7  o 29.850  2.9050 -0.000000      0.000000  
1 1 1 0  17 8  o 60.600  1.5810 -0.000000      0.000000  
1 1 1 0  17 9  o 27.960  3.1570 -0.000000      0.000000  
1 1 1 0  17 10 o 41.830  2.2270 -0.000000      0.000000  
1 1 1 0  17 11 o 9.8070  5.2510 -0.000000      0.000000  
1 1 1 0  17 12 o 6.1230  4.1480 -0.000000      0.000000  
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1 1 1 0  17 14 o 8.4370  5.0350 -0.000000      0.000000  
1 1 1 0  17 15 o 24.280  3.3730 -0.000000      0.000000  
1 1 1 0  17 16 o 42.510  2.0030 -0.000000      0.000000  
1 1 1 0  17 17 o 9.7960  5.4280 -0.000000      0.000000  
1 1 1 0  17 18 o 5.9180  4.0330 -0.000000      0.000000  
1 1 1 0  17 19 o 24.910  3.2870 -0.000000      0.000000  
1 1 1 0  17 20 o 7.8060  4.8330 -0.000000      0.000000  
1 1 1 0  17 21 o 35.530  2.3260 -0.000000      0.000000  
1 1 1 0  17 22 o 8.9300  5.1930 -0.000000      0.000000  
1 1 1 0  17 23 o 5.2390  3.6790 -0.000000      0.000000  
1 1 1 0  17 24 f 7.9460  4.7300 -0.000000      0.000000  
1 1 1 0  17 25 o 6.5650  4.3040 -0.000000      0.000000  
1 1 1 0  18 0  o 23.680  5.5430 0.000000       0.000000  
1 1 1 0  18 1  o 40.940  2.0100 -0.000000      0.000000  
1 1 1 0  18 2  o 31.220  2.6870 -0.000000      0.000000  
1 1 1 0  18 3  o 16.260  5.5390 -0.000000      0.000000  
1 1 1 0  18 4  o 12.720  5.8050 -0.000000      0.000000  
1 1 1 0  18 5  f 7.4670  4.7810 -0.000000      0.000000  
1 1 1 0  18 6  o 28.440  3.1000 -0.000000      0.000000  
1 1 1 0  18 7  o 29.510  3.0510 -0.000000      0.000000  
1 1 1 0  18 8  o 17.010  5.7240 -0.000000      0.000000  
1 1 1 0  18 9  o 72.420  1.4780 -0.000000      0.000000  
1 1 1 0  18 10 o 6.5630  4.4570 -0.000000      0.000000  
1 1 1 0  18 11 o 10.260  5.9860 -0.000000      0.000000  
1 1 1 0  18 12 o 6.2780  4.2330 -0.000000      0.000000  
1 1 1 0  18 13 o 7.1300  4.6200 -0.000000      0.000000  
1 1 1 0  18 14 o 7.0530  4.5670 -0.000000      0.000000  
1 1 1 0  18 15 o 9.8570  5.3360 -0.000000      0.000000  
1 1 1 0  18 16 o 15.920  5.3450 -0.000000      0.000000  
1 1 1 0  18 17 o 6.2740  4.1990 -0.000000      0.000000  
1 1 1 0  18 18 o 9.6110  5.3040 -0.000000      0.000000  
1 1 1 0  18 19 o 8.5340  5.0110 -0.000000      0.000000  
1 1 1 0  18 20 f 11.950  5.5410 -0.000000      0.000000  
1 1 1 0  18 21 o 7.3470  4.6940 -0.000000      0.000000  
1 1 1 0  18 22 o 4.1730  3.0350 -0.000000      0.000000  
1 1 1 0  18 23 o 10.360  6.8210 -0.000000      0.000000  
1 1 1 0  19 1  f 30.360  2.8030 -0.000000      0.000000  
1 1 1 0  19 2  o 49.740  1.8230 -0.000000      0.000000  
1 1 1 0  19 3  o 67.300  1.4980 -0.000000      0.000000  
1 1 1 0  19 4  o 31.560  2.7390 -0.000000      0.000000  
1 1 1 0  19 5  o 51.810  1.7560 -0.000000      0.000000  
1 1 1 0  19 6  o 9.9290  5.5780 -0.000000      0.000000  
1 1 1 0  19 7  o 41.520  2.1620 -0.000000      0.000000  
1 1 1 0  19 8  o 19.380  5.1450 -0.000000      0.000000  
1 1 1 0  19 9  o 8.6410  5.2640 -0.000000      0.000000  
1 1 1 0  19 10 o 45.920  2.0730 -0.000000      0.000000  
1 1 1 0  19 11 o 12.560  5.8350 -0.000000      0.000000  
1 1 1 0  19 12 o 23.250  3.2800 -0.000000      0.000000  
1 1 1 0  19 13 o 8.8640  5.0890 -0.000000      0.000000  
1 1 1 0  19 14 o 10.750  5.4410 -0.000000      0.000000  
1 1 1 0  19 15 o 24.840  3.0610 -0.000000      0.000000  
1 1 1 0  19 16 o 9.6320  5.1670 -0.000000      0.000000  
1 1 1 0  19 17 f 11.680  5.3830 -0.000000      0.000000  
1 1 1 0  19 18 o 8.6340  4.9370 -0.000000      0.000000  
1 1 1 0  19 19 o 15.870  4.9770 -0.000000      0.000000  
1 1 1 0  19 20 f 7.3600  4.5840 -0.000000      0.000000  
1 1 1 0  20 0  o 95.950  1.8980 0.000000       0.000000  
1 1 1 0  20 1  o 55.620  1.6370 -0.000000      0.000000  
1 1 1 0  20 2  o 42.730  1.9780 -0.000000      0.000000  
1 1 1 0  20 3  o 40.720  2.0400 -0.000000      0.000000  
1 1 1 0  20 4  o 33.480  2.4840 -0.000000      0.000000  
1 1 1 0  20 5  o 26.180  3.1900 -0.000000      0.000000  
1 1 1 0  20 6  o 15.160  5.7020 -0.000000      0.000000  
1 1 1 0  20 7  o 44.240  1.9260 -0.000000      0.000000  
1 1 1 0  20 8  o 22.290  3.8420 -0.000000      0.000000  
1 1 1 0  20 9  o 28.070  2.8610 -0.000000      0.000000  
1 1 1 0  20 10 o 14.160  5.6730 -0.000000      0.000000  
1 1 1 0  20 11 o 6.6370  4.4000 -0.000000      0.000000  
1 1 1 0  20 12 f 40.110  1.7410 -0.000000      0.000000  
1 1 1 0  20 13 o 11.570  5.2230 -0.000000      0.000000  
1 1 1 0  20 14 o 10.050  5.0730 -0.000000      0.000000  
1 1 1 0  20 15 o 19.320  3.6890 -0.000000      0.000000  
1 1 1 0  20 16 o 4.2470  3.0430 -0.000000      0.000000  
1 1 1 0  20 17 o 4.6990  3.3950 -0.000000      0.000000  
1 1 1 0  21 1  o 10.100  5.3250 -0.000000      0.000000  
1 1 1 0  21 2  o 29.730  2.4860 -0.000000      0.000000  
1 1 1 0  21 3  o 21.340  3.5260 -0.000000      0.000000  
1 1 1 0  21 4  o 12.000  5.3760 -0.000000      0.000000  
1 1 1 0  21 5  o 6.6020  4.2920 -0.000000      0.000000  
1 1 1 0  21 6  o 7.8970  4.7700 -0.000000      0.000000  
1 1 1 0  21 7  o 10.350  5.2880 -0.000000      0.000000  
1 1 1 0  21 8  o 12.470  5.4110 -0.000000      0.000000  
1 1 1 0  21 9  o 17.760  4.4660 -0.000000      0.000000  
1 1 1 0  21 10 o 44.780  1.6580 -0.000000      0.000000  
1 1 1 0  21 11 o 15.300  5.0730 -0.000000      0.000000  
1 1 1 0  21 12 o 30.000  2.5920 -0.000000      0.000000  
1 1 1 0  21 13 x ?       ?      ?              ?         
1 1 1 0  22 0  o 31.990  2.7080 0.000000       0.000000  
1 1 1 0  22 1  o 40.830  1.5250 -0.000000      0.000000  
1 1 1 0  22 2  o 18.330  3.5500 -0.000000      0.000000  
1 1 1 0  22 3  o 4.6540  3.2710 -0.000000      0.000000  
1 1 1 0  22 4  o 7.7070  4.5170 -0.000000      0.000000  
1 1 1 0  22 5  o 9.2620  4.8330 -0.000000      0.000000  
1 1 1 0  22 6  x ?       ?      ?              ?         
1 1 1 1  0  1  o 85.890  0.7663 -0.000000      0.000000  
1 1 1 1  0  2  o 80.720  0.7227 -0.000000      0.000000  
1 1 1 1  0  3  o 118.100 1.4850 -0.000000      0.000000  
1 1 1 1  0  4  o 26.160  0.3372 -0.000000      0.000000  
1 1 1 1  0  5  o 83.590  0.7521 -0.000000      0.000000  
1 1 1 1  0  6  o 109.800 0.9807 -0.000000      0.000000  
1 1 1 1  0  7  o 195.200 1.7320 -0.000000      0.000000  
1 1 1 1  0  8  o 58.650  0.5785 -0.000000      0.000000  
1 1 1 1  0  9  o 4.6760  2.3880 -0.000000      0.000000  
1 1 1 1  0  10 o 26.830  0.6461 -0.000000      0.000000  
1 1 1 1  0  11 o 57.720  0.6205 -0.000000      0.000000  
1 1 1 1  0  12 f 262.300 2.3280 -0.000000      0.000000  
1 1 1 1  0  13 o 134.700 1.2170 -0.000000      0.000000  
1 1 1 1  0  14 o 56.520  0.6688 -0.000000      0.000000  
1 1 1 1  0  15 o 11.310  2.4320 -0.000000      0.000000  
1 1 1 1  0  16 o 46.420  0.7444 -0.000000      0.000000  
1 1 1 1  0  17 o 141.900 1.2940 -0.000000      0.000000  
1 1 1 1  0  18 o 5.5220  3.3070 -0.000000      0.000000  
1 1 1 1  0  19 o 5.8380  3.4350 -0.000000      0.000000  
1 1 1 1  0  20 o 9.1080  3.9360 -0.000000      0.000000  
1 1 1 1  0  21 o 27.800  1.4350 -0.000000      0.000000  
1 1 1 1  0  22 o 32.130  1.3590 -0.000000      0.000000  
1 1 1 1  0  23 f 11.690  4.0430 -0.000000      0.000000  
1 1 1 1  0  24 o 111.500 1.1040 -0.000000      0.000000  
1 1 1 1  0  25 x ?       ?      ?              ?         
1 1 1 1  0  26 o 8.0650  4.4180 -0.000000      0.000000  
1 1 1 1  0  27 o 17.580  3.4680 -0.000000      0.000000  
1 1 1 1  0  28 o 58.370  1.1050 -0.000000      0.000000  
1 1 1 1  0  29 o 82.060  1.0260 -0.000000      0.000000  
1 1 1 1  0  30 o 26.470  2.2070 -0.000000      0.000000  
1 1 1 1  0  31 o 20.650  3.0000 -0.000000      0.000000  
1 1 1 1  0  32 o 35.820  1.7020 -0.000000      0.000000  
1 1 1 1  0  33 o 23.490  2.6910 -0.000000      0.000000  
1 1 1 1  0  34 o 18.960  3.5180 -0.000000      0.000000  
1 1 1 1  0  35 f 8.0010  4.6360 -0.000000      0.000000  
1 1 1 1  0  36 o 7.4430  4.6290 -0.000000      0.000000  
1 1 1 1  0  37 o 4.1560  3.0160 -0.000000      0.000000  
1 1 1 1  0  38 o 6.4080  4.2450 -0.000000      0.000000  
1 1 1 1  0  39 x ?       ?      ?              ?         
1 1 1 1  1  0  o 16.710  0.3365 -0.000000      0.000000  
1 1 1 1  1  1  o 155.200 2.7630 ?              ?         
1 1 1 1  1  2  o 96.320  0.8638 2.391000       1.728000  
1 1 1 1  1  3  f 53.490  0.3770 -1.453000      0.7540000 
1 1 1 1  1  4  o 102.800 0.6490 2.366000       1.298000  
1 1 1 1  1  5  o 97.950  0.6208 1.602000       1.242000  
1 1 1 1  1  6  o 68.520  0.4494 -1.238000      0.8988000 
1 1 1 1  1  7  o 94.200  0.6028 1.973000       1.206000  
1 1 1 1  1  8  o 30.160  0.3604 0.1560000E-01  0.7209000 
1 1 1 1  1  9  o 69.690  0.4719 -1.387000      0.9438000 
1 1 1 1  1  10 o 74.570  0.5037 -3.089000      1.007000  
1 1 1 1  1  11 o 25.550  0.5263 -0.4873000     1.053000  
1 1 1 1  1  12 o 63.790  0.4751 -1.012000      0.9501000 
1 1 1 1  1  13 o 78.610  0.5867 -0.6316000E-01 1.173000  
1 1 1 1  1  14 o 131.900 0.9128 -0.9455000     1.826000  
1 1 1 1  1  15 o 99.840  0.7160 -0.2131000     1.432000  
1 1 1 1  1  16 o 76.030  0.6074 0.8314000      1.215000  
1 1 1 1  1  17 o 60.400  0.5855 1.182000       1.171000  
1 1 1 1  1  18 o 7.2800  2.0240 -3.752000      4.047000  
1 1 1 1  1  19 o 44.000  0.6535 2.137000       1.307000  
1 1 1 1  1  20 o 17.390  1.5370 -0.7859000     3.073000  
1 1 1 1  1  21 o 41.510  0.7513 0.4803000      1.503000  
1 1 1 1  1  22 o 41.880  0.7682 0.9424000      1.536000  
1 1 1 1  1  23 o 47.100  0.7563 2.255000       1.513000  
1 1 1 1  1  24 f 56.830  0.7634 -0.2254000     1.527000  
1 1 1 1  1  25 o 43.140  1.0880 0.4781000      2.175000  
1 1 1 1  1  26 o 9.7090  2.6900 -1.839000      5.380000  
1 1 1 1  1  27 o 45.240  1.0130 2.773000       2.026000  
1 1 1 1  1  28 o 99.840  0.8353 1.045000       1.671000  
1 1 1 1  1  29 o 41.950  1.0970 -0.3712000     2.194000  
1 1 1 1  1  30 o 34.020  1.2290 -1.027000      2.458000  
1 1 1 1  1  31 o 70.270  0.7752 1.964000       1.550000  
1 1 1 1  1  32 o 27.470  1.5420 -3.150000      3.084000  
1 1 1 1  1  33 o 25.380  1.6930 5.020000       3.386000  
1 1 1 1  1  34 o 34.300  1.3110 -0.3930000     2.622000  
1 1 1 1  1  35 o 8.7640  2.6820 -1.613000      5.364000  
1 1 1 1  1  36 o 10.050  2.8070 2.624000       5.615000  
1 1 1 1  1  37 o 11.510  2.6990 -6.579000      5.399000  
1 1 1 1  1  38 o 8.0010  2.5920 -0.9440000     5.185000  
1 1 1 1  1  39 x ?       ?      ?              ?         
1 1 1 1  2  0  o 37.710  0.6055 -0.000000      0.000000  
1 1 1 1  2  1  o 68.550  0.4790 -1.195000      0.9579000 
1 1 1 1  2  2  o 64.870  0.5224 2.975000       1.045000  
1 1 1 1  2  3  f 72.620  0.6001 2.039000       1.200000  
1 1 1 1  2  4  o 121.600 1.5450 ?              ?         
1 1 1 1  2  5  o 141.600 1.4520 -1.698000      2.904000  
1 1 1 1  2  6  o 81.670  0.6456 0.4560000      1.291000  
1 1 1 1  2  7  o 96.220  0.7519 -1.183000      1.504000  
1 1 1 1  2  8  o 127.700 0.8765 2.520000       1.753000  
1 1 1 1  2  9  o 133.500 0.9169 4.315000       1.834000  
1 1 1 1  2  10 o 85.080  0.6097 -0.2876000     1.219000  
1 1 1 1  2  11 f 69.810  0.4974 3.029000       0.9949000 
1 1 1 1  2  12 o 60.790  0.4705 0.9527000E-01  0.9409000 
1 1 1 1  2  13 o 151.500 0.9633 2.443000       1.927000  
1 1 1 1  2  14 o 59.950  0.4941 -0.8061000     0.9882000 
1 1 1 1  2  15 o 33.310  0.6326 0.7949000      1.265000  
1 1 1 1  2  16 o 70.230  0.5546 -1.704000      1.109000  
1 1 1 1  2  17 f 117.200 0.7776 4.126000       1.555000  
1 1 1 1  2  18 f 32.680  0.7848 -0.7410000     1.570000  
1 1 1 1  2  19 o 32.410  0.8056 -1.758000      1.611000  
1 1 1 1  2  20 o 40.960  0.7055 1.149000       1.411000  
1 1 1 1  2  21 o 48.150  0.6829 2.304000       1.366000  
1 1 1 1  2  22 o 42.210  0.7766 1.286000       1.553000  
1 1 1 1  2  23 o 53.920  0.6917 -1.238000      1.383000  
1 1 1 1  2  24 o 65.770  0.6680 2.131000       1.336000  
1 1 1 1  2  25 o 57.990  0.7417 2.007000       1.483000  
1 1 1 1  2  26 f 73.710  0.7197 -1.296000      1.439000  
1 1 1 1  2  27 o 49.750  0.8618 1.298000       1.724000  
1 1 1 1  2  28 o 91.990  0.7509 -0.5075000     1.502000  
1 1 1 1  2  29 o 57.990  0.8037 0.1845000      1.607000  
1 1 1 1  2  30 o 32.990  1.2350 -0.4735000     2.469000  
1 1 1 1  2  31 f 11.970  2.8250 1.329000       5.649000  
1 1 1 1  2  32 o 31.470  1.3290 0.6675000      2.658000  
1 1 1 1  2  33 o 6.7710  2.2680 1.144000       4.537000  
1 1 1 1  2  34 o 20.790  2.0570 -2.872000      4.114000  
1 1 1 1  2  35 o 8.5540  2.6020 2.343000       5.205000  
1 1 1 1  2  36 o 12.540  2.7470 -6.466000      5.493000  
1 1 1 1  2  37 o 10.250  2.8490 -0.2728000     5.697000  
1 1 1 1  2  38 f 10.460  2.9550 -1.169000      5.909000  
1 1 1 1  3  0  x ?       ?      ?              ?         
1 1 1 1  3  1  f 96.470  0.8013 -5.485000      1.603000  
1 1 1 1  3  2  o 130.300 0.8913 1.217000       1.783000  
1 1 1 1  3  3  o 87.500  0.5652 1.556000       1.130000  
1 1 1 1  3  4  o 85.570  0.5996 1.218000       1.199000  
1 1 1 1  3  5  o 127.300 0.8072 0.6020000      1.614000  
1 1 1 1  3  6  o 189.900 1.2900 -1.962000      2.580000  
1 1 1 1  3  7  o 78.100  0.5221 -3.567000      1.044000  
1 1 1 1  3  8  o 153.600 0.9715 0.1665000      1.943000  
1 1 1 1  3  9  o 108.100 0.6989 0.7598000      1.398000  
1 1 1 1  3  10 o 63.670  0.6701 -1.742000      1.340000  
1 1 1 1  3  11 o 103.100 0.6764 -1.651000      1.353000  
1 1 1 1  3  12 o 15.460  1.0130 -0.5826000E-01 2.025000  
1 1 1 1  3  13 o 94.840  0.6384 0.5512000      1.277000  
1 1 1 1  3  14 o 60.190  0.5089 -1.146000      1.018000  
1 1 1 1  3  15 o 48.730  0.5184 0.4296000      1.037000  
1 1 1 1  3  16 o 45.800  0.6236 1.377000       1.247000  
1 1 1 1  3  17 o 95.240  0.7237 -0.8401000E-01 1.447000  
1 1 1 1  3  18 o 15.470  1.9000 6.852000       3.801000  
1 1 1 1  3  19 o 84.480  0.6923 -2.355000      1.385000  
1 1 1 1  3  20 o 57.390  0.6818 0.9444000      1.364000  
1 1 1 1  3  21 o 102.400 0.7951 -1.866000      1.590000  
1 1 1 1  3  22 o 123.700 0.9077 -0.2229000E-01 1.815000  
1 1 1 1  3  23 o 24.780  1.3240 1.026000       2.648000  
1 1 1 1  3  24 o 60.020  0.7110 -1.194000      1.422000  
1 1 1 1  3  25 o 14.020  2.7910 -1.678000      5.582000  
1 1 1 1  3  26 f 29.170  1.5000 -1.464000      2.999000  
1 1 1 1  3  27 o 14.780  2.7010 7.100000       5.403000  
1 1 1 1  3  28 o 51.550  0.9418 -0.9008000     1.884000  
1 1 1 1  3  29 o 54.580  0.9329 0.3083000      1.866000  
1 1 1 1  3  30 o 28.210  1.6470 9.013000       3.294000  
1 1 1 1  3  31 o 9.5850  2.6120 -5.442000      5.224000  
1 1 1 1  3  32 o 55.150  0.9509 -0.8998000     1.902000  
1 1 1 1  3  33 f 24.820  1.7800 1.644000       3.559000  
1 1 1 1  3  34 o 7.2800  2.4030 0.2740000      4.806000  
1 1 1 1  3  35 o 12.280  2.9170 2.822000       5.834000  
1 1 1 1  3  36 o 14.610  2.8730 -3.431000      5.746000  
1 1 1 1  3  37 o 6.6840  2.2760 -0.6065000     4.551000  
1 1 1 1  3  38 o 22.030  2.3850 6.737000       4.771000  
1 1 1 1  4  0  f 12.810  0.9821 -0.000000      0.000000  
1 1 1 1  4  1  o 67.880  0.4988 -1.168000      0.9975000 
1 1 1 1  4  2  o 78.500  0.5240 -4.327000      1.048000  
1 1 1 1  4  3  o 153.700 1.0520 -0.7994000     2.103000  
1 1 1 1  4  4  o 103.100 0.6673 1.080000       1.335000  
1 1 1 1  4  5  o 273.400 3.4590 6.072000       6.917000  
1 1 1 1  4  6  o 137.700 0.8770 -2.251000      1.754000  
1 1 1 1  4  7  o 54.390  0.4394 -0.6867000     0.8788000 
1 1 1 1  4  8  o 32.210  0.5285 -2.698000      1.057000  
1 1 1 1  4  9  o 193.600 1.2220 0.6378000      2.445000  
1 1 1 1  4  10 o 222.200 1.4000 0.4029000      2.800000  
1 1 1 1  4  11 o 141.200 0.9050 -0.1096000     1.810000  
1 1 1 1  4  12 o 57.680  0.5287 2.521000       1.057000  
1 1 1 1  4  13 o 21.850  0.8311 1.282000       1.662000  
1 1 1 1  4  14 o 44.250  0.5478 1.626000       1.096000  
1 1 1 1  4  15 o 33.020  0.6763 -2.432000      1.353000  
1 1 1 1  4  16 o 24.710  0.9740 -0.8708000     1.948000  
1 1 1 1  4  17 o 64.590  0.5843 -2.864000      1.169000  
1 1 1 1  4  18 o 55.740  0.6000 -0.4646000     1.200000  
1 1 1 1  4  19 o 64.370  0.6035 -2.008000      1.207000  
1 1 1 1  4  20 o 13.380  2.1260 1.748000       4.252000  
1 1 1 1  4  21 o 63.390  0.6510 -0.6874000     1.302000  
1 1 1 1  4  22 o 36.450  0.8876 -1.161000      1.775000  
1 1 1 1  4  23 o 73.360  0.6731 1.024000       1.346000  
1 1 1 1  4  24 o 94.720  0.7337 0.7068000      1.467000  
1 1 1 1  4  25 o 64.110  0.7233 -0.9491000     1.447000  
1 1 1 1  4  26 o 33.460  1.1800 2.727000       2.360000  
1 1 1 1  4  27 o 47.270  0.8876 0.2329000      1.775000  
1 1 1 1  4  28 o 36.750  1.0940 1.697000       2.188000  
1 1 1 1  4  29 o 36.100  1.1400 0.5237000      2.279000  
1 1 1 1  4  30 o 25.610  1.8220 2.312000       3.643000  
1 1 1 1  4  31 o 7.7820  2.4600 1.368000       4.921000  
1 1 1 1  4  32 o 18.970  2.3510 6.926000       4.702000  
1 1 1 1  4  33 o 10.060  2.5710 -7.557000      5.143000  
1 1 1 1  4  34 o 9.0860  2.7380 -0.1384000     5.476000  
1 1 1 1  4  35 o 14.860  2.5730 -10.28000      5.146000  
1 1 1 1  4  36 o 9.8480  2.8230 -2.019000      5.646000  
1 1 1 1  4  37 o 9.8090  2.8340 -2.984000      5.669000  
1 1 1 1  4  38 o 9.3370  2.8440 2.331000       5.689000  
1 1 1 1  5  0  o 46.160  0.5806 -0.000000      0.000000  
1 1 1 1  5  1  f 107.100 0.6952 0.5150000      1.390000  
1 1 1 1  5  2  o 38.580  0.4284 0.8540000      0.8568000 
1 1 1 1  5  3  o 97.800  0.6681 -0.2403000     1.336000  
1 1 1 1  5  4  o 195.800 1.4290 -3.416000      2.858000  
1 1 1 1  5  5  o 99.890  0.7115 -1.556000      1.423000  
1 1 1 1  5  6  o 258.200 1.9870 -3.503000      3.973000  
1 1 1 1  5  7  o 74.640  0.5768 -0.8153000     1.154000  
1 1 1 1  5  8  f 242.900 1.5310 -0.4060000E-01 3.062000  
1 1 1 1  5  9  o 149.600 0.9575 0.6702000      1.915000  
1 1 1 1  5  10 o 99.300  0.6710 0.5235000      1.342000  
1 1 1 1  5  11 o 106.000 0.7097 -1.943000      1.419000  
1 1 1 1  5  12 o 87.230  0.6180 -0.5492000E-01 1.236000  
1 1 1 1  5  13 o 87.870  0.6265 -0.8595000     1.253000  
1 1 1 1  5  14 o 66.720  0.5580 2.778000       1.116000  
1 1 1 1  5  15 f 75.680  0.5945 0.8944000      1.189000  
1 1 1 1  5  16 o 50.340  0.6089 0.1922000      1.218000  
1 1 1 1  5  17 o 40.800  0.7142 0.3253000      1.428000  
1 1 1 1  5  18 o 54.830  0.6323 -0.9760000     1.265000  
1 1 1 1  5  19 o 16.850  1.7170 -0.4581000     3.435000  
1 1 1 1  5  20 o 51.000  0.7005 -1.434000      1.401000  
1 1 1 1  5  21 o 42.290  0.7803 1.927000       1.561000  
1 1 1 1  5  22 o 66.160  0.6754 0.6989000      1.351000  
1 1 1 1  5  23 o 109.200 0.7864 0.8572000      1.573000  
1 1 1 1  5  24 o 11.770  2.7020 1.008000       5.404000  
1 1 1 1  5  25 o 58.130  0.7689 0.6441000      1.538000  
1 1 1 1  5  26 o 10.110  2.6350 -3.843000      5.270000  
1 1 1 1  5  27 o 51.770  0.8829 -1.549000      1.766000  
1 1 1 1  5  28 o 32.680  1.3220 0.6496000      2.644000  
1 1 1 1  5  29 o 21.540  1.9780 -3.147000      3.956000  
1 1 1 1  5  30 o 22.850  1.8910 -4.392000      3.781000  
1 1 1 1  5  31 o 40.470  1.0770 -1.672000      2.154000  
1 1 1 1  5  32 o 20.370  2.2150 3.984000       4.429000  
1 1 1 1  5  33 o 10.620  2.8630 1.515000       5.726000  
1 1 1 1  5  34 o 9.6940  2.8000 -0.1437000     5.599000  
1 1 1 1  5  35 o 10.370  2.7550 -5.417000      5.510000  
1 1 1 1  5  36 o 9.2860  2.7440 -3.320000      5.489000  
1 1 1 1  5  37 o 9.5190  2.7640 3.889000       5.528000  
1 1 1 1  5  38 x ?       ?      ?              ?         
1 1 1 1  6  0  o 81.300  0.8095 -0.000000      0.000000  
1 1 1 1  6  1  o 125.200 0.8113 -3.304000      1.623000  
1 1 1 1  6  2  o 238.000 3.0170 4.891000       6.034000  
1 1 1 1  6  3  o 91.520  0.6273 -1.696000      1.255000  
1 1 1 1  6  4  o 234.200 1.5980 -2.381000      3.196000  
1 1 1 1  6  5  o 149.200 0.9930 -2.563000      1.986000  
1 1 1 1  6  6  o 149.300 0.9598 -1.311000      1.920000  
1 1 1 1  6  7  o 208.300 1.3650 3.396000       2.729000  
1 1 1 1  6  8  o 117.300 0.7750 -0.7723000     1.550000  
1 1 1 1  6  9  o 70.920  0.5963 1.176000       1.193000  
1 1 1 1  6  10 o 48.160  0.5462 0.3060000      1.092000  
1 1 1 1  6  11 o 46.090  0.6158 1.193000       1.232000  
1 1 1 1  6  12 o 61.670  0.5695 -0.2258000     1.139000  
1 1 1 1  6  13 o 69.220  0.5919 1.186000       1.184000  
1 1 1 1  6  14 o 44.270  0.6415 0.9323000      1.283000  
1 1 1 1  6  15 o 24.430  1.0310 -1.655000      2.063000  
1 1 1 1  6  16 o 57.610  0.6190 -0.4419000     1.238000  
1 1 1 1  6  17 o 65.360  0.6124 1.186000       1.225000  
1 1 1 1  6  18 o 46.340  0.7057 -0.6713000     1.411000  
1 1 1 1  6  19 o 42.820  0.7618 1.605000       1.524000  
1 1 1 1  6  20 o 79.130  0.6716 0.9727000      1.343000  
1 1 1 1  6  21 o 31.850  1.0520 0.2813000E-01  2.104000  
1 1 1 1  6  22 o 100.100 0.7513 2.089000       1.503000  
1 1 1 1  6  23 o 23.660  1.6100 -6.629000      3.219000  
1 1 1 1  6  24 o 27.110  1.4450 -0.3070000E-01 2.891000  
1 1 1 1  6  25 o 46.480  0.9318 -1.533000      1.864000  
1 1 1 1  6  26 o 49.330  0.8937 0.8187000      1.787000  
1 1 1 1  6  27 o 36.320  1.1640 -3.647000      2.328000  
1 1 1 1  6  28 f 9.6700  2.7300 1.534000       5.461000  
1 1 1 1  6  29 o 37.410  1.1830 3.150000       2.366000  
1 1 1 1  6  30 o 24.510  1.7530 -0.4496000     3.506000  
1 1 1 1  6  31 o 19.490  2.4500 6.747000       4.900000  
1 1 1 1  6  32 o 13.740  2.8490 -4.862000      5.698000  
1 1 1 1  6  33 o 18.720  2.4400 1.036000       4.879000  
1 1 1 1  6  34 o 20.590  2.3450 -3.922000      4.689000  
1 1 1 1  6  35 o 22.520  2.1810 3.884000       4.363000  
1 1 1 1  6  36 o 11.280  2.9900 -1.618000      5.980000  
1 1 1 1  6  37 o 11.680  3.1160 -1.412000      6.233000  
1 1 1 1  7  0  o 39.060  0.7764 -0.000000      0.000000  
1 1 1 1  7  1  o 109.700 0.7313 2.041000       1.463000  
1 1 1 1  7  2  o 100.800 0.6844 0.2181000      1.369000  
1 1 1 1  7  3  o 94.250  0.6533 1.136000       1.307000  
1 1 1 1  7  4  o 55.580  0.5416 -0.3090000     1.083000  
1 1 1 1  7  5  o 114.700 0.7928 1.916000       1.586000  
1 1 1 1  7  6  o 127.600 0.8706 -0.2189000     1.741000  
1 1 1 1  7  7  o 106.600 0.7481 -1.503000      1.496000  
1 1 1 1  7  8  o 36.160  0.6837 0.5066000      1.367000  
1 1 1 1  7  9  o 72.270  0.6325 0.5476000      1.265000  
1 1 1 1  7  10 o 106.000 0.7314 -1.141000      1.463000  
1 1 1 1  7  11 f 102.200 0.7166 3.646000       1.433000  
1 1 1 1  7  12 o 63.310  0.6001 1.217000       1.200000  
1 1 1 1  7  13 o 19.210  1.3640 -1.502000      2.729000  
1 1 1 1  7  14 o 33.510  0.8626 -1.400000      1.725000  
1 1 1 1  7  15 o 36.230  0.8054 0.5378000      1.611000  
1 1 1 1  7  16 o 16.710  1.6930 -1.842000      3.386000  
1 1 1 1  7  17 o 6.7700  2.0750 3.489000       4.149000  
1 1 1 1  7  18 o 52.320  0.6993 -1.217000      1.399000  
1 1 1 1  7  19 o 32.280  1.0030 0.5408000      2.005000  
1 1 1 1  7  20 o 21.000  1.5740 -1.539000      3.147000  
1 1 1 1  7  21 o 125.900 0.8708 -0.1496000     1.742000  
1 1 1 1  7  22 o 47.840  0.8583 -0.6159000     1.717000  
1 1 1 1  7  23 o 55.240  0.7916 0.8936000      1.583000  
1 1 1 1  7  24 f 29.930  1.3200 3.490000       2.640000  
1 1 1 1  7  25 o 12.140  2.6260 6.423000       5.253000  
1 1 1 1  7  26 o 33.590  1.2500 0.8406000      2.499000  
1 1 1 1  7  27 o 71.750  0.7882 -0.4243000     1.576000  
1 1 1 1  7  28 o 18.120  2.3910 -5.326000      4.782000  
1 1 1 1  7  29 o 51.990  0.9222 1.602000       1.844000  
1 1 1 1  7  30 o 21.730  2.0590 -0.6600000     4.117000  
1 1 1 1  7  31 o 8.6030  2.6660 2.385000       5.332000  
1 1 1 1  7  32 o 12.080  2.9570 -1.782000      5.913000  
1 1 1 1  7  33 o 10.690  2.7320 6.916000       5.465000  
1 1 1 1  7  34 o 14.380  3.0170 1.826000       6.035000  
1 1 1 1  7  35 o 7.4180  2.4850 -0.2494000     4.969000  
1 1 1 1  7  36 o 7.1820  2.4260 1.676000       4.851000  
1 1 1 1  7  37 o 12.850  5.8780 ?              ?         
1 1 1 1  8  0  o 41.970  0.8537 -0.000000      0.000000  
1 1 1 1  8  1  o 166.800 1.0720 -1.564000      2.144000  
1 1 1 1  8  2  f 71.340  0.5842 1.005000       1.168000  
1 1 1 1  8  3  o 111.700 0.7583 -0.2419000     1.517000  
1 1 1 1  8  4  o 41.080  0.6539 0.9014000      1.308000  
1 1 1 1  8  5  o 80.110  0.6812 -0.2232000E-01 1.362000  
1 1 1 1  8  6  o 161.100 1.0810 -1.449000      2.162000  
1 1 1 1  8  7  o 57.810  0.6498 1.239000       1.300000  
1 1 1 1  8  8  o 77.450  0.6467 2.157000       1.293000  
1 1 1 1  8  9  o 65.110  0.6224 1.491000       1.245000  
1 1 1 1  8  10 o 60.660  0.6402 -0.1808000     1.280000  
1 1 1 1  8  11 o 21.510  1.2530 -0.1213000     2.507000  
1 1 1 1  8  12 f 62.770  0.6319 -1.042000      1.264000  
1 1 1 1  8  13 o 39.980  0.8504 -4.797000      1.701000  
1 1 1 1  8  14 o 17.980  1.6320 -1.350000      3.264000  
1 1 1 1  8  15 o 22.330  1.3270 -2.419000      2.655000  
1 1 1 1  8  16 o 9.5610  2.4390 1.847000       4.878000  
1 1 1 1  8  17 o 124.000 0.8577 -0.6555000E-01 1.715000  
1 1 1 1  8  18 o 6.2490  2.0640 -1.863000      4.128000  
1 1 1 1  8  19 o 59.170  0.7166 -0.3234000E-01 1.433000  
1 1 1 1  8  20 o 20.750  1.7440 -2.169000      3.489000  
1 1 1 1  8  21 o 48.490  0.8746 0.1755000      1.749000  
1 1 1 1  8  22 o 18.880  2.0970 -3.681000      4.194000  
1 1 1 1  8  23 o 91.570  0.7709 -1.555000      1.542000  
1 1 1 1  8  24 o 19.470  2.2200 2.621000       4.439000  
1 1 1 1  8  25 o 13.930  2.7570 -3.955000      5.514000  
1 1 1 1  8  26 o 23.080  2.0380 -7.650000      4.077000  
1 1 1 1  8  27 o 41.480  1.0710 -1.456000      2.142000  
1 1 1 1  8  28 o 24.160  1.8090 3.185000       3.618000  
1 1 1 1  8  29 o 11.130  2.8040 -4.359000      5.609000  
1 1 1 1  8  30 o 7.9110  2.5560 0.1818000      5.113000  
1 1 1 1  8  31 o 36.210  1.3090 -2.074000      2.618000  
1 1 1 1  8  32 o 17.390  2.8040 -3.818000      5.609000  
1 1 1 1  8  33 o 8.0570  2.6160 0.4936000      5.233000  
1 1 1 1  8  34 o 13.600  3.0920 -0.9210000     6.183000  
1 1 1 1  8  35 o 7.7440  2.5540 -0.5580000     5.107000  
1 1 1 1  8  36 f 13.710  3.3040 -0.8487000     6.607000  
1 1 1 1  9  0  o 17.180  1.9750 -0.000000      0.000000  
1 1 1 1  9  1  o 59.840  0.5931 0.7461000E-01  1.186000  
1 1 1 1  9  2  o 115.400 0.7866 0.6894000      1.573000  
1 1 1 1  9  3  o 152.500 0.9959 -0.3297000     1.992000  
1 1 1 1  9  4  o 119.200 0.8147 0.1410000      1.629000  
1 1 1 1  9  5  o 43.010  0.7382 -0.6398000     1.476000  
1 1 1 1  9  6  o 40.350  0.7748 -1.502000      1.550000  
1 1 1 1  9  7  o 79.610  0.6866 0.9274000E-01  1.373000  
1 1 1 1  9  8  o 88.020  0.7505 1.487000       1.501000  
1 1 1 1  9  9  o 69.370  0.6986 1.980000       1.397000  
1 1 1 1  9  10 f 68.430  0.6706 -2.188000      1.341000  
1 1 1 1  9  11 o 34.860  0.9957 1.867000       1.991000  
1 1 1 1  9  12 o 40.030  0.8061 1.413000       1.612000  
1 1 1 1  9  13 o 64.230  0.6721 -0.3780000     1.344000  
1 1 1 1  9  14 o 61.360  0.6854 -2.142000      1.371000  
1 1 1 1  9  15 o 53.460  0.7359 0.7950000      1.472000  
1 1 1 1  9  16 o 15.960  2.0860 -1.249000      4.171000  
1 1 1 1  9  17 o 36.250  0.9671 0.3373000      1.934000  
1 1 1 1  9  18 o 50.420  0.8185 3.747000       1.637000  
1 1 1 1  9  19 o 35.520  1.0440 0.2446000      2.087000  
1 1 1 1  9  20 o 18.330  2.1830 4.025000       4.365000  
1 1 1 1  9  21 o 30.070  1.3100 2.492000       2.621000  
1 1 1 1  9  22 o 51.550  0.9160 -2.148000      1.832000  
1 1 1 1  9  23 o 29.590  1.4560 -1.880000      2.912000  
1 1 1 1  9  24 o 25.210  1.6900 -2.657000      3.380000  
1 1 1 1  9  25 o 48.440  0.9664 -1.291000      1.933000  
1 1 1 1  9  26 o 19.080  2.3960 -6.628000      4.793000  
1 1 1 1  9  27 f 61.150  0.8794 2.512000       1.759000  
1 1 1 1  9  28 o 23.700  1.9730 -4.099000      3.946000  
1 1 1 1  9  29 o 15.280  2.8170 -3.931000      5.633000  
1 1 1 1  9  30 o 16.780  2.7060 8.204000       5.411000  
1 1 1 1  9  31 o 30.950  1.5500 1.974000       3.101000  
1 1 1 1  9  32 o 14.670  3.1340 3.992000       6.269000  
1 1 1 1  9  33 o 25.420  2.0160 -1.537000      4.031000  
1 1 1 1  9  34 f 17.570  2.9870 2.652000       5.974000  
1 1 1 1  9  35 o 7.4220  2.4500 -3.967000      4.901000  
1 1 1 1  10 0  o 20.210  2.0430 -0.000000      0.000000  
1 1 1 1  10 1  o 55.170  0.6529 0.4806000      1.306000  
1 1 1 1  10 2  o 76.850  0.6530 -0.9438000     1.306000  
1 1 1 1  10 3  o 37.410  0.8351 -0.3429000     1.670000  
1 1 1 1  10 4  o 43.690  0.7724 -1.953000      1.545000  
1 1 1 1  10 5  o 74.790  0.6748 -0.2764000     1.350000  
1 1 1 1  10 6  o 50.830  0.7385 1.016000       1.477000  
1 1 1 1  10 7  o 25.420  1.3030 -3.097000      2.606000  
1 1 1 1  10 8  o 72.870  0.7210 -3.308000      1.442000  
1 1 1 1  10 9  o 34.500  0.9546 -0.6214000     1.909000  
1 1 1 1  10 10 o 71.930  0.7752 -1.857000      1.550000  
1 1 1 1  10 11 o 78.230  0.7193 -1.793000      1.439000  
1 1 1 1  10 12 o 8.4610  2.4050 4.761000       4.810000  
1 1 1 1  10 13 o 48.130  0.8113 -1.634000      1.623000  
1 1 1 1  10 14 o 71.790  0.7076 1.258000       1.415000  
1 1 1 1  10 15 o 33.360  1.0690 -0.5358000     2.137000  
1 1 1 1  10 16 o 36.450  0.9994 -1.517000      1.999000  
1 1 1 1  10 17 o 17.130  2.1900 -1.003000      4.380000  
1 1 1 1  10 18 o 49.810  0.8829 1.253000       1.766000  
1 1 1 1  10 19 o 86.250  0.7784 -0.6543000     1.557000  
1 1 1 1  10 20 o 11.600  2.8160 -1.575000      5.632000  
1 1 1 1  10 21 o 78.870  0.8073 1.898000       1.615000  
1 1 1 1  10 22 o 28.660  1.6020 -6.481000      3.205000  
1 1 1 1  10 23 o 60.910  0.8540 -1.027000      1.708000  
1 1 1 1  10 24 o 12.850  2.8580 -4.055000      5.715000  
1 1 1 1  10 25 o 27.380  1.6510 -1.036000      3.302000  
1 1 1 1  10 26 o 9.0550  2.6690 -4.282000      5.337000  
1 1 1 1  10 27 o 35.440  1.2790 -2.131000      2.557000  
1 1 1 1  10 28 o 9.3710  2.7590 3.170000       5.518000  
1 1 1 1  10 29 o 39.000  1.2560 -0.7218000     2.512000  
1 1 1 1  10 30 o 36.280  1.3380 1.868000       2.675000  
1 1 1 1  10 31 o 28.590  1.7590 -4.374000      3.519000  
1 1 1 1  10 32 o 10.760  2.9040 -4.501000      5.808000  
1 1 1 1  10 33 o 22.510  2.2920 0.2699000      4.585000  
1 1 1 1  10 34 o 12.190  3.2090 -0.3781000     6.417000  
1 1 1 1  11 0  o 56.170  1.0280 -0.000000      0.000000  
1 1 1 1  11 1  o 110.200 0.7953 -0.6852000     1.591000  
1 1 1 1  11 2  o 67.770  0.6939 1.342000       1.388000  
1 1 1 1  11 3  o 59.990  0.7246 0.3042000      1.449000  
1 1 1 1  11 4  o 34.760  1.0090 1.088000       2.019000  
1 1 1 1  11 5  o 24.530  1.3910 0.3198000      2.783000  
1 1 1 1  11 6  o 16.910  2.1780 -8.437000      4.357000  
1 1 1 1  11 7  o 67.100  0.7522 1.280000       1.504000  
1 1 1 1  11 8  o 30.170  1.2850 3.410000       2.569000  
1 1 1 1  11 9  o 47.840  0.9163 3.566000       1.833000  
1 1 1 1  11 10 o 79.290  0.7304 -0.3414000     1.461000  
1 1 1 1  11 11 o 55.500  0.7985 2.347000       1.597000  
1 1 1 1  11 12 o 18.570  2.0910 -5.759000      4.182000  
1 1 1 1  11 13 o 56.980  0.8872 -1.994000      1.774000  
1 1 1 1  11 14 o 39.070  1.0590 -1.103000      2.118000  
1 1 1 1  11 15 o 35.000  1.1340 -3.713000      2.268000  
1 1 1 1  11 16 o 10.120  2.7300 0.2309000      5.461000  
1 1 1 1  11 17 o 46.090  0.9629 -0.3406000     1.926000  
1 1 1 1  11 18 o 48.370  0.9530 1.149000       1.906000  
1 1 1 1  11 19 o 64.770  0.8413 -0.8480000     1.683000  
1 1 1 1  11 20 o 17.020  2.6490 2.495000       5.298000  
1 1 1 1  11 21 o 29.970  1.5140 3.896000       3.029000  
1 1 1 1  11 22 o 32.220  1.4980 5.664000       2.996000  
1 1 1 1  11 23 o 42.910  1.1530 -0.4751000     2.306000  
1 1 1 1  11 24 o 32.300  1.4350 -1.739000      2.870000  
1 1 1 1  11 25 o 59.450  0.8968 -2.590000      1.794000  
1 1 1 1  11 26 o 9.7760  2.8190 -3.011000      5.637000  
1 1 1 1  11 27 o 12.560  2.9630 -4.356000      5.926000  
1 1 1 1  11 28 o 33.130  1.4550 2.917000       2.910000  
1 1 1 1  11 29 o 57.650  0.9521 1.923000       1.904000  
1 1 1 1  11 30 o 18.720  2.7170 -1.355000      5.434000  
1 1 1 1  11 31 o 18.060  2.7690 -9.138000      5.539000  
1 1 1 1  11 32 o 11.770  3.1390 -1.478000      6.279000  
1 1 1 1  11 33 o 7.7250  2.5670 -1.905000      5.134000  
1 1 1 1  12 0  o 67.060  1.0490 -0.000000      0.000000  
1 1 1 1  12 1  o 74.690  0.7280 -0.5003000     1.456000  
1 1 1 1  12 2  o 41.980  0.9234 -1.191000      1.847000  
1 1 1 1  12 3  o 43.360  0.9421 4.600000       1.884000  
1 1 1 1  12 4  o 12.700  2.6310 3.992000       5.261000  
1 1 1 1  12 5  o 99.660  0.7889 0.3059000      1.578000  
1 1 1 1  12 6  o 51.210  0.8832 -2.668000      1.766000  
1 1 1 1  12 7  o 16.610  2.4640 1.915000       4.929000  
1 1 1 1  12 8  o 70.880  0.8001 1.373000       1.600000  
1 1 1 1  12 9  o 57.680  0.8710 -0.2989000     1.742000  
1 1 1 1  12 10 o 79.270  0.7566 -0.6778000     1.513000  
1 1 1 1  12 11 o 21.010  1.9090 2.010000       3.817000  
1 1 1 1  12 12 o 33.320  1.2400 -1.386000      2.481000  
1 1 1 1  12 13 o 57.720  0.8762 -1.276000      1.752000  
1 1 1 1  12 14 o 55.590  0.9218 -0.4003000     1.844000  
1 1 1 1  12 15 o 41.040  1.1560 -0.4736000     2.312000  
1 1 1 1  12 16 o 25.900  1.7720 -1.046000      3.545000  
1 1 1 1  12 17 o 47.280  1.0050 0.6970000      2.009000  
1 1 1 1  12 18 o 30.950  1.4630 -3.885000      2.927000  
1 1 1 1  12 19 o 45.240  1.0690 1.236000       2.138000  
1 1 1 1  12 20 o 60.590  0.8996 -1.731000      1.799000  
1 1 1 1  12 21 o 34.460  1.3870 -3.815000      2.774000  
1 1 1 1  12 22 f 45.860  1.0850 -1.890000      2.170000  
1 1 1 1  12 23 o 13.570  2.8580 -7.923000      5.716000  
1 1 1 1  12 24 o 25.670  1.8430 2.345000       3.686000  
1 1 1 1  12 25 o 22.060  2.2220 -1.171000      4.444000  
1 1 1 1  12 26 o 8.7740  2.7410 1.931000       5.482000  
1 1 1 1  12 27 o 40.130  1.2590 0.6474000E-01  2.518000  
1 1 1 1  12 28 o 10.840  3.0380 -1.333000      6.076000  
1 1 1 1  12 29 o 30.410  1.6660 -2.212000      3.331000  
1 1 1 1  12 30 o 12.640  3.1270 -0.7259000     6.253000  
1 1 1 1  12 31 o 8.5620  2.6930 -3.284000      5.387000  
1 1 1 1  12 32 o 7.6140  2.5490 -0.9878000     5.099000  
1 1 1 1  13 0  o 36.600  1.6720 -0.000000      0.000000  
1 1 1 1  13 1  o 78.770  0.7657 -0.7706000     1.531000  
1 1 1 1  13 2  o 38.030  1.1270 2.574000       2.253000  
1 1 1 1  13 3  o 42.360  1.0060 -1.234000      2.012000  
1 1 1 1  13 4  o 93.540  0.7946 -1.056000      1.589000  
1 1 1 1  13 5  o 77.960  0.7800 1.758000       1.560000  
1 1 1 1  13 6  o 62.820  0.8415 -0.1365000     1.683000  
1 1 1 1  13 7  o 89.280  0.8043 0.9195000      1.609000  
1 1 1 1  13 8  o 59.910  0.8987 0.6889000      1.797000  
1 1 1 1  13 9  o 95.090  0.8495 0.3668000      1.699000  
1 1 1 1  13 10 o 55.980  0.9557 2.485000       1.911000  
1 1 1 1  13 11 o 34.800  1.2780 -0.9757000     2.556000  
1 1 1 1  13 12 o 19.930  2.6930 -12.90000      5.385000  
1 1 1 1  13 13 o 47.870  1.0550 -4.915000      2.111000  
1 1 1 1  13 14 o 39.140  1.2400 -0.5095000     2.480000  
1 1 1 1  13 15 o 60.640  0.9338 2.014000       1.868000  
1 1 1 1  13 16 o 21.840  2.2340 3.361000       4.468000  
1 1 1 1  13 17 o 63.310  0.9186 2.132000       1.837000  
1 1 1 1  13 18 o 10.500  2.8950 6.488000       5.791000  
1 1 1 1  13 19 o 22.050  2.2590 -3.448000      4.519000  
1 1 1 1  13 20 o 40.220  1.2290 0.3009000      2.458000  
1 1 1 1  13 21 o 48.950  1.0470 -2.958000      2.093000  
1 1 1 1  13 22 o 33.190  1.4810 3.025000       2.961000  
1 1 1 1  13 23 o 12.000  3.0230 2.116000       6.046000  
1 1 1 1  13 24 o 11.880  3.0530 -0.6200000     6.106000  
1 1 1 1  13 25 o 8.9560  2.7680 -1.586000      5.535000  
1 1 1 1  13 26 o 30.580  1.6530 -1.853000      3.306000  
1 1 1 1  13 27 o 18.630  2.7690 -0.1991000     5.538000  
1 1 1 1  13 28 o 13.950  3.2100 3.675000       6.419000  
1 1 1 1  13 29 o 12.910  2.9750 -7.193000      5.951000  
1 1 1 1  13 30 o 8.5940  2.7300 -2.031000      5.460000  
1 1 1 1  13 31 o 11.240  3.1250 1.305000       6.249000  
1 1 1 1  14 0  o 29.880  2.0560 -0.000000      0.000000  
1 1 1 1  14 1  o 48.410  0.9863 2.717000       1.973000  
1 1 1 1  14 2  o 32.210  1.4290 1.706000       2.858000  
1 1 1 1  14 3  o 79.230  0.8633 -2.027000      1.727000  
1 1 1 1  14 4  o 40.930  1.1620 0.5201000      2.324000  
1 1 1 1  14 5  o 87.470  0.8243 -0.5064000     1.649000  
1 1 1 1  14 6  o 41.060  1.1980 -0.3706000     2.395000  
1 1 1 1  14 7  o 65.450  0.9036 -0.9702000     1.807000  
1 1 1 1  14 8  o 131.800 0.9689 -3.475000      1.938000  
1 1 1 1  14 9  o 89.910  0.8784 0.9077000      1.757000  
1 1 1 1  14 10 o 24.140  2.1860 0.9107000      4.372000  
1 1 1 1  14 11 o 76.860  0.8389 0.3867000E-01  1.678000  
1 1 1 1  14 12 o 80.960  0.8508 -1.075000      1.702000  
1 1 1 1  14 13 o 32.480  1.5130 -2.427000      3.027000  
1 1 1 1  14 14 o 24.420  2.1900 -8.907000      4.381000  
1 1 1 1  14 15 o 59.610  1.0110 -1.674000      2.022000  
1 1 1 1  14 16 o 33.980  1.6630 -1.863000      3.326000  
1 1 1 1  14 17 f 42.190  1.2880 3.080000       2.575000  
1 1 1 1  14 18 o 38.610  1.3560 4.632000       2.712000  
1 1 1 1  14 19 o 45.460  1.2330 8.115000       2.466000  
1 1 1 1  14 20 o 24.390  1.9630 -0.9398000     3.926000  
1 1 1 1  14 21 o 35.370  1.4340 1.166000       2.868000  
1 1 1 1  14 22 o 16.010  3.0190 -0.9275000     6.038000  
1 1 1 1  14 23 o 8.9650  2.7700 -2.714000      5.540000  
1 1 1 1  14 24 o 19.270  2.7300 11.44000       5.460000  
1 1 1 1  14 25 o 22.180  2.3350 -1.178000      4.670000  
1 1 1 1  14 26 o 11.620  3.0980 -3.614000      6.196000  
1 1 1 1  14 27 o 14.150  3.1050 -5.483000      6.210000  
1 1 1 1  14 28 o 11.760  2.9890 -5.442000      5.978000  
1 1 1 1  14 29 o 7.5910  2.5180 -0.1993000     5.037000  
1 1 1 1  14 30 o 8.0090  2.5680 4.446000       5.137000  
1 1 1 1  15 0  o 54.750  1.4100 -0.000000      0.000000  
1 1 1 1  15 1  o 35.490  1.3710 3.341000       2.742000  
1 1 1 1  15 2  o 41.240  1.2280 -1.086000      2.455000  
1 1 1 1  15 3  f 50.990  1.1070 7.160000       2.215000  
1 1 1 1  15 4  o 124.900 0.9358 -0.1348000     1.872000  
1 1 1 1  15 5  o 53.720  1.0940 0.1468000      2.187000  
1 1 1 1  15 6  o 108.000 0.8884 -0.2836000     1.777000  
1 1 1 1  15 7  o 48.240  1.1540 -1.959000      2.308000  
1 1 1 1  15 8  o 83.590  0.8892 0.1577000      1.778000  
1 1 1 1  15 9  o 13.910  3.1500 -2.096000      6.299000  
1 1 1 1  15 10 o 21.040  2.6680 0.3121000      5.336000  
1 1 1 1  15 11 o 62.240  1.0890 3.493000       2.177000  
1 1 1 1  15 12 o 18.360  2.7800 4.847000       5.560000  
1 1 1 1  15 13 o 18.630  2.8290 -0.9587000     5.657000  
1 1 1 1  15 14 o 55.350  1.0770 -1.185000      2.155000  
1 1 1 1  15 15 o 15.720  3.2350 -1.879000      6.470000  
1 1 1 1  15 16 o 78.070  0.9438 0.8183000      1.888000  
1 1 1 1  15 17 o 15.140  3.2380 -1.986000      6.476000  
1 1 1 1  15 18 o 31.600  1.8680 -5.960000      3.737000  
1 1 1 1  15 19 o 14.890  3.1090 -4.273000      6.218000  
1 1 1 1  15 20 o 12.850  3.2510 3.047000       6.501000  
1 1 1 1  15 21 o 11.210  3.1150 0.6671000      6.230000  
1 1 1 1  15 22 o 27.890  1.8110 -6.049000      3.622000  
1 1 1 1  15 23 o 33.470  1.5460 -0.8917000E-01 3.092000  
1 1 1 1  15 24 o 10.090  2.9510 -3.211000      5.902000  
1 1 1 1  15 25 o 13.410  3.1570 -2.390000      6.314000  
1 1 1 1  15 26 o 13.990  3.0390 3.355000       6.079000  
1 1 1 1  15 27 o 12.980  3.1110 -0.9192000     6.221000  
1 1 1 1  15 28 o 9.5760  2.8440 5.046000       5.688000  
1 1 1 1  16 0  o 28.960  2.4960 -0.000000      0.000000  
1 1 1 1  16 1  o 77.810  0.9683 -4.142000      1.937000  
1 1 1 1  16 2  o 85.720  0.8754 -1.850000      1.751000  
1 1 1 1  16 3  o 63.040  0.9691 1.088000       1.938000  
1 1 1 1  16 4  o 56.500  1.0600 2.430000       2.120000  
1 1 1 1  16 5  o 63.610  1.0010 -1.666000      2.003000  
1 1 1 1  16 6  o 76.220  0.9334 -0.3275000     1.867000  
1 1 1 1  16 7  o 45.950  1.2790 -2.217000      2.559000  
1 1 1 1  16 8  o 84.970  0.9289 -1.120000      1.858000  
1 1 1 1  16 9  o 47.370  1.3130 -2.960000      2.627000  
1 1 1 1  16 10 o 55.490  1.1600 0.2109000      2.320000  
1 1 1 1  16 11 o 50.830  1.2930 -0.2952000     2.586000  
1 1 1 1  16 12 o 91.620  0.9052 -0.6274000     1.810000  
1 1 1 1  16 13 o 31.010  1.8010 -4.625000      3.602000  
1 1 1 1  16 14 o 12.580  3.2660 1.209000       6.533000  
1 1 1 1  16 15 o 46.070  1.3060 4.380000       2.612000  
1 1 1 1  16 16 o 15.310  3.2370 2.869000       6.474000  
1 1 1 1  16 17 o 21.410  2.7090 1.985000       5.419000  
1 1 1 1  16 18 o 28.420  2.1210 -4.932000      4.243000  
1 1 1 1  16 19 o 47.910  1.2510 2.313000       2.502000  
1 1 1 1  16 20 o 45.470  1.3720 7.855000       2.745000  
1 1 1 1  16 21 o 23.630  2.4560 1.032000       4.912000  
1 1 1 1  16 22 o 9.5430  2.7770 -5.209000      5.554000  
1 1 1 1  16 23 o 16.680  3.0020 8.575000       6.004000  
1 1 1 1  16 24 o 11.640  3.1160 -1.765000      6.232000  
1 1 1 1  16 25 o 19.490  2.6580 -3.745000      5.317000  
1 1 1 1  16 26 o 10.340  2.8720 -5.413000      5.744000  
1 1 1 1  16 27 o 9.5360  3.3670 1.652000       6.734000  
1 1 1 1  17 0  f 42.350  2.1570 -0.000000      0.000000  
1 1 1 1  17 1  o 79.230  0.9372 -2.151000      1.874000  
1 1 1 1  17 2  o 76.560  0.9385 1.835000       1.877000  
1 1 1 1  17 3  o 39.630  1.4720 4.149000       2.945000  
1 1 1 1  17 4  o 45.990  1.3010 2.385000       2.602000  
1 1 1 1  17 5  o 68.840  1.0020 1.255000       2.003000  
1 1 1 1  17 6  o 44.710  1.3880 1.877000       2.776000  
1 1 1 1  17 7  o 38.460  1.6090 1.942000       3.219000  
1 1 1 1  17 8  o 56.240  1.1820 2.179000       2.364000  
1 1 1 1  17 9  o 32.070  1.9460 -1.773000      3.891000  
1 1 1 1  17 10 o 50.170  1.3000 0.5260000      2.600000  
1 1 1 1  17 11 o 24.760  2.4520 -6.183000      4.903000  
1 1 1 1  17 12 o 41.110  1.3780 1.819000       2.756000  
1 1 1 1  17 13 o 18.750  3.1390 2.879000       6.277000  
1 1 1 1  17 14 o 58.660  1.0720 -2.727000      2.144000  
1 1 1 1  17 15 o 25.730  2.3070 -4.772000      4.614000  
1 1 1 1  17 16 o 30.450  1.8690 -1.347000      3.739000  
1 1 1 1  17 17 o 12.550  3.0840 4.790000       6.167000  
1 1 1 1  17 18 o 23.050  2.5550 -2.759000      5.110000  
1 1 1 1  17 19 o 15.530  3.1670 -2.078000      6.334000  
1 1 1 1  17 20 o 9.0270  2.8520 -2.089000      5.704000  
1 1 1 1  17 21 o 13.000  3.2140 0.6492000      6.428000  
1 1 1 1  17 22 o 10.840  3.1860 1.139000       6.372000  
1 1 1 1  17 23 o 8.2030  2.6850 0.3017000      5.369000  
1 1 1 1  17 24 o 10.730  2.8620 -4.288000      5.725000  
1 1 1 1  17 25 o 8.3780  2.8970 -0.9090000     5.794000  
1 1 1 1  18 0  o 102.400 1.3160 -0.000000      0.000000  
1 1 1 1  18 1  o 48.090  1.5860 18.63000       3.171000  
1 1 1 1  18 2  o 43.600  1.4160 6.026000       2.832000  
1 1 1 1  18 3  o 31.240  1.9320 -3.110000      3.864000  
1 1 1 1  18 4  o 24.580  2.4830 -0.2495000     4.965000  
1 1 1 1  18 5  o 32.750  1.8560 1.385000       3.712000  
1 1 1 1  18 6  o 35.230  1.8030 0.2240000      3.605000  
1 1 1 1  18 7  o 58.120  1.1740 1.543000       2.347000  
1 1 1 1  18 8  o 23.400  2.7110 0.6052000      5.422000  
1 1 1 1  18 9  o 39.000  1.6650 -3.318000      3.330000  
1 1 1 1  18 10 o 22.500  3.1400 -5.898000      6.280000  
1 1 1 1  18 11 o 27.780  2.3120 -0.1430000     4.624000  
1 1 1 1  18 12 o 26.980  2.4890 2.454000       4.979000  
1 1 1 1  18 13 o 53.440  1.1700 -1.474000      2.340000  
1 1 1 1  18 14 o 23.310  2.4100 -3.956000      4.820000  
1 1 1 1  18 15 o 10.990  3.1220 -2.722000      6.244000  
1 1 1 1  18 16 o 10.610  3.0990 -1.175000      6.197000  
1 1 1 1  18 17 o 9.2000  2.8530 -2.153000      5.706000  
1 1 1 1  18 18 f 14.060  3.0340 -6.848000      6.067000  
1 1 1 1  18 19 o 10.400  3.0340 -2.596000      6.068000  
1 1 1 1  18 20 f 28.460  1.9270 0.8563000      3.853000  
1 1 1 1  18 21 o 13.000  3.0910 -3.772000      6.181000  
1 1 1 1  18 22 o 19.180  2.6370 -3.046000      5.274000  
1 1 1 1  19 0  o 60.560  1.5730 -0.000000      0.000000  
1 1 1 1  19 1  o 60.420  1.1190 -4.357000      2.238000  
1 1 1 1  19 2  o 42.000  1.4830 -3.564000      2.967000  
1 1 1 1  19 3  o 35.150  1.7920 -6.919000      3.584000  
1 1 1 1  19 4  o 30.810  2.0270 0.5959000      4.055000  
1 1 1 1  19 5  o 23.510  2.6670 4.980000       5.335000  
1 1 1 1  19 6  o 36.840  1.6860 1.121000       3.371000  
1 1 1 1  19 7  o 22.880  2.7760 1.845000       5.552000  
1 1 1 1  19 8  o 37.930  1.6740 -2.725000      3.348000  
1 1 1 1  19 9  o 35.520  1.7820 -1.916000      3.563000  
1 1 1 1  19 10 o 34.900  1.7980 -0.7882000     3.596000  
1 1 1 1  19 11 o 29.810  2.1160 3.446000       4.233000  
1 1 1 1  19 12 o 23.120  2.8370 6.268000       5.673000  
1 1 1 1  19 13 o 13.640  3.1580 1.619000       6.316000  
1 1 1 1  19 14 o 8.7950  2.7820 1.798000       5.564000  
1 1 1 1  19 15 o 11.000  3.0550 -2.785000      6.110000  
1 1 1 1  19 16 o 14.720  3.0390 3.658000       6.077000  
1 1 1 1  19 17 o 8.1990  2.6490 -1.399000      5.298000  
1 1 1 1  19 18 o 8.1310  2.6250 1.112000       5.250000  
1 1 1 1  19 19 o 15.630  2.9710 -0.2145000     5.942000  
1 1 1 1  19 20 o 8.9740  2.9010 -0.6511000     5.802000  
1 1 1 1  20 0  o 25.510  3.2180 -0.000000      0.000000  
1 1 1 1  20 1  o 43.420  1.3690 1.144000       2.738000  
1 1 1 1  20 2  o 39.750  1.4970 4.108000       2.993000  
1 1 1 1  20 3  o 29.960  1.9580 1.470000       3.916000  
1 1 1 1  20 4  o 30.190  1.9210 0.3174000      3.843000  
1 1 1 1  20 5  o 32.050  1.8080 -0.6816000     3.615000  
1 1 1 1  20 6  o 27.020  2.1140 -0.3609000     4.229000  
1 1 1 1  20 7  o 25.460  2.2040 -3.728000      4.407000  
1 1 1 1  20 8  o 13.580  3.2920 0.8055000E-02  6.583000  
1 1 1 1  20 9  o 8.3260  2.7230 -1.446000      5.447000  
1 1 1 1  20 10 o 7.1620  2.4530 -1.112000      4.905000  
1 1 1 1  20 11 o 35.500  1.6530 2.161000       3.307000  
1 1 1 1  20 12 o 14.220  3.0480 4.546000       6.096000  
1 1 1 1  20 13 o 11.160  2.7730 6.960000       5.545000  
1 1 1 1  20 14 o 13.100  2.9640 -3.447000      5.929000  
1 1 1 1  20 15 o 10.290  2.8220 3.127000       5.643000  
1 1 1 1  20 16 o 14.390  2.3310 13.76000       4.662000  
1 1 1 1  20 17 o 11.970  5.3920 ?              ?         
1 1 1 1  21 0  o 44.070  1.7630 -0.000000      0.000000  
1 1 1 1  21 1  o 22.440  2.3170 2.115000       4.635000  
1 1 1 1  21 2  o 24.490  2.0640 -1.539000      4.128000  
1 1 1 1  21 3  o 17.740  2.7670 -5.523000      5.533000  
1 1 1 1  21 4  o 23.360  2.1870 -4.168000      4.374000  
1 1 1 1  21 5  o 23.580  2.1410 1.574000       4.282000  
1 1 1 1  21 6  o 10.530  2.9950 1.502000       5.991000  
1 1 1 1  21 7  o 12.630  3.1120 2.484000       6.223000  
1 1 1 1  21 8  o 41.820  1.2790 0.7796000E-01  2.558000  
1 1 1 1  21 9  o 26.190  1.8850 -3.742000      3.769000  
1 1 1 1  21 10 o 9.7860  2.8770 -0.8154000E-01 5.754000  
1 1 1 1  21 11 o 21.780  2.1960 -0.7975000     4.391000  
1 1 1 1  21 12 o 9.8690  2.8950 -1.385000      5.791000  
1 1 1 1  22 0  o 10.700  4.8640 -0.000000      0.000000  
1 1 1 1  22 1  o 11.250  2.8410 -0.3547000     5.683000  
1 1 1 1  22 2  o 17.740  2.4360 2.539000       4.872000  
1 1 1 1  22 3  o 23.180  1.8810 2.615000       3.763000  
1 1 1 1  22 4  o 10.590  2.7060 -5.307000      5.412000  
1 1 1 1  22 5  o 13.990  2.9110 -7.066000      5.822000  
1 1 1 2  0  0  x ?       ?      ?              ?         
1 1 1 2  0  1  o 43.770  0.4463 -0.000000      0.000000  
1 1 1 2  0  2  o 91.320  0.8242 -0.000000      0.000000  
1 1 1 2  0  3  o 160.400 2.0180 -0.000000      0.000000  
1 1 1 2  0  4  o 120.100 1.0750 -0.000000      0.000000  
1 1 1 2  0  5  o 44.770  0.4843 -0.000000      0.000000  
1 1 1 2  0  6  o 23.960  0.5575 -0.000000      0.000000  
1 1 1 2  0  7  o 36.910  0.5053 -0.000000      0.000000  
1 1 1 2  0  8  o 174.400 1.5520 -0.000000      0.000000  
1 1 1 2  0  9  o 76.650  0.8466 -0.000000      0.000000  
1 1 1 2  0  10 o 16.590  1.0650 -0.000000      0.000000  
1 1 1 2  0  11 o 128.900 1.1660 -0.000000      0.000000  
1 1 1 2  0  12 o 227.400 2.0220 -0.000000      0.000000  
1 1 1 2  0  13 o 34.580  0.9059 -0.000000      0.000000  
1 1 1 2  0  14 o 221.900 1.9780 -0.000000      0.000000  
1 1 1 2  0  15 o 30.430  0.9080 -0.000000      0.000000  
1 1 1 2  0  16 o 79.350  0.8263 -0.000000      0.000000  
1 1 1 2  0  17 o 104.100 1.0020 -0.000000      0.000000  
1 1 1 2  0  18 o 8.1200  3.7690 -0.000000      0.000000  
1 1 1 2  0  19 o 14.470  2.9770 -0.000000      0.000000  
1 1 1 2  0  20 o 122.100 1.1530 -0.000000      0.000000  
1 1 1 2  0  21 o 100.700 1.0160 -0.000000      0.000000  
1 1 1 2  0  22 o 4.9850  3.2770 -0.000000      0.000000  
1 1 1 2  0  23 o 103.400 1.0560 -0.000000      0.000000  
1 1 1 2  0  24 o 42.250  1.2370 -0.000000      0.000000  
1 1 1 2  0  25 o 26.430  2.9290 -0.000000      0.000000  
1 1 1 2  0  26 o 13.620  4.3900 -0.000000      0.000000  
1 1 1 2  0  27 o 20.140  3.0040 -0.000000      0.000000  
1 1 1 2  0  28 o 57.450  1.3540 -0.000000      0.000000  
1 1 1 2  0  29 o 19.420  3.2230 -0.000000      0.000000  
1 1 1 2  0  30 o 23.280  2.6370 -0.000000      0.000000  
1 1 1 2  0  31 o 42.680  1.4780 -0.000000      0.000000  
1 1 1 2  0  32 o 21.800  2.9900 -0.000000      0.000000  
1 1 1 2  0  33 o 21.380  2.9550 -0.000000      0.000000  
1 1 1 2  0  34 o 32.440  1.9280 -0.000000      0.000000  
1 1 1 2  0  35 o 6.3190  4.0860 -0.000000      0.000000  
1 1 1 2  0  36 o 11.130  5.0610 -0.000000      0.000000  
1 1 1 2  0  37 o 7.8480  4.7090 -0.000000      0.000000  
1 1 1 2  0  38 o 5.4720  3.7880 -0.000000      0.000000  
1 1 1 2  1  0  o 49.130  0.7100 -0.000000      0.000000  
1 1 1 2  1  1  o 100.800 0.6403 -3.250000      1.281000  
1 1 1 2  1  2  o 76.070  0.5325 4.392000       1.065000  
1 1 1 2  1  3  o 56.690  0.3869 0.4146000      0.7738000 
1 1 1 2  1  4  o 110.200 0.6994 -2.056000      1.399000  
1 1 1 2  1  5  o 59.720  0.4105 -1.715000      0.8211000 
1 1 1 2  1  6  o 77.780  0.5115 0.2328000      1.023000  
1 1 1 2  1  7  o 96.160  0.6213 -0.1834000     1.243000  
1 1 1 2  1  8  o 109.200 0.7005 -4.080000      1.401000  
1 1 1 2  1  9  o 61.010  0.4433 -0.3124000     0.8865000 
1 1 1 2  1  10 o 105.000 0.6796 -0.4866000     1.359000  
1 1 1 2  1  11 o 134.500 0.8585 0.7462000      1.717000  
1 1 1 2  1  12 o 65.930  0.4947 -2.182000      0.9895000 
1 1 1 2  1  13 o 113.600 0.7390 -0.4185000     1.478000  
1 1 1 2  1  14 o 42.200  0.5194 0.8308000      1.039000  
1 1 1 2  1  15 o 54.020  0.5058 -1.939000      1.012000  
1 1 1 2  1  16 o 80.950  0.5911 0.7046000E-01  1.182000  
1 1 1 2  1  17 o 51.920  0.5805 -0.9747000     1.161000  
1 1 1 2  1  18 o 54.250  0.5929 2.219000       1.186000  
1 1 1 2  1  19 o 42.490  0.7080 0.1409000      1.416000  
1 1 1 2  1  20 o 84.520  0.6511 -0.4015000     1.302000  
1 1 1 2  1  21 o 63.950  0.6413 1.230000       1.283000  
1 1 1 2  1  22 o 39.390  0.8118 2.362000       1.624000  
1 1 1 2  1  23 o 79.960  0.6794 -0.5265000     1.359000  
1 1 1 2  1  24 o 71.890  0.6915 1.127000       1.383000  
1 1 1 2  1  25 f 71.760  0.9225 -2.112000      1.845000  
1 1 1 2  1  26 o 106.500 0.7854 0.2087000      1.571000  
1 1 1 2  1  27 o 84.670  0.7308 0.1265000      1.462000  
1 1 1 2  1  28 o 40.770  1.0270 -3.443000      2.054000  
1 1 1 2  1  29 o 17.720  2.3340 -0.6972000E-01 4.668000  
1 1 1 2  1  30 o 31.060  1.3480 2.964000       2.696000  
1 1 1 2  1  31 f 56.650  0.8356 1.929000       1.671000  
1 1 1 2  1  32 o 52.540  0.8830 1.915000       1.766000  
1 1 1 2  1  33 o 31.050  1.3940 -0.8649000     2.789000  
1 1 1 2  1  34 o 10.950  2.7200 5.037000       5.440000  
1 1 1 2  1  35 o 8.0010  2.5480 0.6214000      5.096000  
1 1 1 2  1  36 o 14.030  2.7000 7.626000       5.400000  
1 1 1 2  1  37 o 7.7470  2.5190 1.381000       5.038000  
1 1 1 2  1  38 o 10.280  2.9700 -2.170000      5.941000  
1 1 1 2  2  0  o 24.370  0.4439 -0.000000      0.000000  
1 1 1 2  2  1  o 50.900  0.3851 -1.040000      0.7702000 
1 1 1 2  2  2  o 107.700 0.9777 -2.881000      1.955000  
1 1 1 2  2  3  o 118.600 0.9785 3.475000       1.957000  
1 1 1 2  2  4  o 40.550  0.3306 1.119000       0.6611000 
1 1 1 2  2  5  o 118.900 0.7551 -2.488000      1.510000  
1 1 1 2  2  6  o 99.980  0.6439 -2.386000      1.288000  
1 1 1 2  2  7  o 94.910  0.6648 -1.506000      1.330000  
1 1 1 2  2  8  o 82.470  0.5496 0.2936000      1.099000  
1 1 1 2  2  9  o 67.650  0.4816 -0.4966000     0.9632000 
1 1 1 2  2  10 o 168.100 1.0630 -1.156000      2.126000  
1 1 1 2  2  11 o 122.500 0.7879 0.1897000      1.576000  
1 1 1 2  2  12 o 22.970  0.6933 -1.872000      1.387000  
1 1 1 2  2  13 o 65.960  0.5042 1.474000       1.008000  
1 1 1 2  2  14 o 124.400 0.8076 2.523000       1.615000  
1 1 1 2  2  15 o 55.240  0.5158 2.565000       1.032000  
1 1 1 2  2  16 o 80.580  0.5933 -0.2197000     1.187000  
1 1 1 2  2  17 o 38.850  0.6559 -0.1871000     1.312000  
1 1 1 2  2  18 f 67.880  0.5833 0.2399000      1.167000  
1 1 1 2  2  19 o 52.920  0.6206 -0.7687000E-01 1.241000  
1 1 1 2  2  20 o 77.120  0.6302 0.1516000      1.260000  
1 1 1 2  2  21 o 66.730  0.6463 0.6460000      1.293000  
1 1 1 2  2  22 o 14.800  2.1290 4.389000       4.258000  
1 1 1 2  2  23 o 34.070  0.9866 -0.2953000     1.973000  
1 1 1 2  2  24 o 26.570  1.3130 0.9328000      2.626000  
1 1 1 2  2  25 f 51.650  0.8529 -1.579000      1.706000  
1 1 1 2  2  26 o 59.290  0.7539 0.8173000      1.508000  
1 1 1 2  2  27 o 75.850  0.7437 1.835000       1.487000  
1 1 1 2  2  28 o 7.6950  2.4410 1.176000       4.882000  
1 1 1 2  2  29 o 24.680  1.6620 2.675000       3.323000  
1 1 1 2  2  30 o 65.380  0.7875 0.2760000      1.575000  
1 1 1 2  2  31 o 17.950  2.4650 -4.895000      4.930000  
1 1 1 2  2  32 o 18.860  2.4500 -3.952000      4.901000  
1 1 1 2  2  33 o 23.520  1.8760 -3.714000      3.752000  
1 1 1 2  2  34 o 14.390  2.9050 -1.832000      5.811000  
1 1 1 2  2  35 o 15.440  2.9680 0.1548000      5.936000  
1 1 1 2  2  36 o 13.460  3.0910 1.362000       6.181000  
1 1 1 2  2  37 f 14.460  2.9350 5.255000       5.869000  
1 1 1 2  2  38 o 10.990  3.1260 -2.583000      6.253000  
1 1 1 2  3  0  o 42.090  0.4628 -0.000000      0.000000  
1 1 1 2  3  1  o 57.650  0.4362 0.5297000      0.8725000 
1 1 1 2  3  2  o 61.160  0.4559 0.8741000      0.9119000 
1 1 1 2  3  3  o 89.110  0.5789 -1.143000      1.158000  
1 1 1 2  3  4  o 145.600 1.0650 -0.1712000     2.131000  
1 1 1 2  3  5  o 129.700 0.8510 1.526000       1.702000  
1 1 1 2  3  6  o 108.100 0.6944 -0.1784000     1.389000  
1 1 1 2  3  7  o 43.100  0.3926 0.1730000      0.7852000 
1 1 1 2  3  8  o 53.640  0.4255 -1.366000      0.8509000 
1 1 1 2  3  9  o 93.160  0.6184 -2.786000      1.237000  
1 1 1 2  3  10 o 128.400 0.8246 -2.518000      1.649000  
1 1 1 2  3  11 o 109.700 0.7723 -1.925000      1.545000  
1 1 1 2  3  12 o 103.300 0.7353 -0.2021000E-01 1.471000  
1 1 1 2  3  13 o 78.760  0.6039 1.228000       1.208000  
1 1 1 2  3  14 o 39.520  0.5879 -1.949000      1.176000  
1 1 1 2  3  15 o 131.200 0.9171 1.281000       1.834000  
1 1 1 2  3  16 o 24.100  0.9878 2.449000       1.976000  
1 1 1 2  3  17 o 48.460  0.6415 -0.6908000     1.283000  
1 1 1 2  3  18 o 17.120  1.5130 -1.271000      3.026000  
1 1 1 2  3  19 o 72.070  0.6138 0.9255000      1.228000  
1 1 1 2  3  20 o 58.830  0.6387 -0.6659000     1.277000  
1 1 1 2  3  21 o 64.650  0.6483 -0.4849000     1.297000  
1 1 1 2  3  22 o 64.700  0.7294 -2.550000      1.459000  
1 1 1 2  3  23 o 37.220  1.0310 -0.2065000     2.062000  
1 1 1 2  3  24 o 70.150  0.7526 1.369000       1.505000  
1 1 1 2  3  25 o 62.750  1.0710 2.230000       2.141000  
1 1 1 2  3  26 o 70.350  0.7833 1.090000       1.567000  
1 1 1 2  3  27 o 12.330  2.7470 -4.510000      5.495000  
1 1 1 2  3  28 o 26.070  1.7050 1.304000       3.410000  
1 1 1 2  3  29 o 55.080  0.8616 -2.329000      1.723000  
1 1 1 2  3  30 o 20.310  2.0870 -1.674000      4.173000  
1 1 1 2  3  31 o 31.050  1.3790 -1.225000      2.759000  
1 1 1 2  3  32 o 36.450  1.2400 3.672000       2.481000  
1 1 1 2  3  33 o 8.1590  2.5780 1.678000       5.155000  
1 1 1 2  3  34 o 28.920  1.5760 0.2600000      3.152000  
1 1 1 2  3  35 o 11.280  2.7090 -7.087000      5.419000  
1 1 1 2  3  36 o 10.840  2.8810 -4.768000      5.762000  
1 1 1 2  3  37 o 13.550  2.8410 6.062000       5.683000  
1 1 1 2  3  38 o 9.6090  2.9040 0.4259000      5.809000  
1 1 1 2  4  0  o 111.100 1.1650 -0.000000      0.000000  
1 1 1 2  4  1  o 117.400 0.8698 -0.2322000     1.740000  
1 1 1 2  4  2  f 119.600 0.9404 0.5875000      1.881000  
1 1 1 2  4  3  o 92.580  0.7283 -1.347000      1.457000  
1 1 1 2  4  4  o 148.300 1.1500 2.204000       2.301000  
1 1 1 2  4  5  o 104.100 0.8221 2.780000       1.644000  
1 1 1 2  4  6  o 168.800 1.2570 -1.565000      2.514000  
1 1 1 2  4  7  f 226.400 2.0220 5.830000       4.044000  
1 1 1 2  4  8  o 187.300 1.2780 0.6660000      2.556000  
1 1 1 2  4  9  o 100.500 0.7145 -0.3860000     1.429000  
1 1 1 2  4  10 o 68.520  0.5514 -1.228000      1.103000  
1 1 1 2  4  11 o 56.100  0.5205 1.356000       1.041000  
1 1 1 2  4  12 o 38.320  0.5386 1.220000       1.077000  
1 1 1 2  4  13 o 22.820  0.8582 0.2012000E-01  1.716000  
1 1 1 2  4  14 o 88.290  0.6256 0.3967000      1.251000  
1 1 1 2  4  15 o 60.250  0.5570 -1.418000      1.114000  
1 1 1 2  4  16 o 67.280  0.5780 2.880000       1.156000  
1 1 1 2  4  17 o 68.760  0.5967 -0.3961000     1.193000  
1 1 1 2  4  18 o 59.160  0.6135 -1.952000      1.227000  
1 1 1 2  4  19 o 78.660  0.6424 -0.9697000     1.285000  
1 1 1 2  4  20 o 57.340  0.6440 -1.165000      1.288000  
1 1 1 2  4  21 o 40.120  0.8157 1.385000       1.631000  
1 1 1 2  4  22 o 73.950  0.6678 -0.6411000     1.336000  
1 1 1 2  4  23 o 55.710  0.7423 -3.309000      1.485000  
1 1 1 2  4  24 o 31.500  1.1820 -0.7845000     2.364000  
1 1 1 2  4  25 o 51.230  0.8431 -1.257000      1.686000  
1 1 1 2  4  26 o 87.300  0.7499 0.7297000      1.500000  
1 1 1 2  4  27 o 42.010  1.0150 -2.137000      2.029000  
1 1 1 2  4  28 o 64.820  0.7882 -1.301000      1.576000  
1 1 1 2  4  29 o 64.040  0.8032 0.2752000      1.606000  
1 1 1 2  4  30 o 40.360  1.0840 -0.6764000     2.169000  
1 1 1 2  4  31 o 25.480  1.6770 -0.8166000     3.354000  
1 1 1 2  4  32 o 22.450  1.9660 -5.054000      3.931000  
1 1 1 2  4  33 o 10.750  2.8280 2.905000       5.657000  
1 1 1 2  4  34 o 8.6970  2.6150 5.047000       5.230000  
1 1 1 2  4  35 o 6.6290  2.2540 2.051000       4.509000  
1 1 1 2  4  36 o 8.3220  2.5830 -3.149000      5.167000  
1 1 1 2  4  37 o 16.750  2.7860 5.040000       5.571000  
1 1 1 2  4  38 o 16.920  2.8600 9.147000       5.721000  
1 1 1 2  5  0  o 142.500 1.2850 -0.000000      0.000000  
1 1 1 2  5  1  o 130.600 0.8368 0.6446000      1.674000  
1 1 1 2  5  2  o 140.400 0.9270 -1.124000      1.854000  
1 1 1 2  5  3  o 62.850  0.4704 -0.8860000     0.9407000 
1 1 1 2  5  4  o 139.600 0.8925 -2.841000      1.785000  
1 1 1 2  5  5  o 206.600 1.5080 -0.5875000     3.016000  
1 1 1 2  5  6  o 148.600 0.9487 1.480000       1.897000  
1 1 1 2  5  7  o 94.590  0.6531 -2.538000      1.306000  
1 1 1 2  5  8  o 68.410  0.5529 -1.205000      1.106000  
1 1 1 2  5  9  o 64.550  0.5074 0.3227000      1.015000  
1 1 1 2  5  10 o 54.140  0.6088 -0.3048000E-01 1.218000  
1 1 1 2  5  11 f 107.000 0.7162 -0.6028000     1.432000  
1 1 1 2  5  12 o 141.900 0.9168 -0.4109000     1.834000  
1 1 1 2  5  13 o 178.200 1.1380 -0.6233000     2.275000  
1 1 1 2  5  14 o 31.790  0.7755 0.9449000E-02  1.551000  
1 1 1 2  5  15 o 68.640  0.5904 -0.8185000     1.181000  
1 1 1 2  5  16 o 48.740  0.6240 -0.2512000     1.248000  
1 1 1 2  5  17 o 91.140  0.7326 -1.772000      1.465000  
1 1 1 2  5  18 o 64.190  0.6701 -1.333000      1.340000  
1 1 1 2  5  19 o 60.310  0.6998 0.3444000      1.400000  
1 1 1 2  5  20 o 22.950  1.3890 -2.584000      2.779000  
1 1 1 2  5  21 o 25.860  1.2930 -1.316000      2.586000  
1 1 1 2  5  22 o 23.160  1.5540 0.3558000E-01  3.109000  
1 1 1 2  5  23 o 68.280  0.7819 -0.2088000E-01 1.564000  
1 1 1 2  5  24 o 41.470  0.9399 0.2597000      1.880000  
1 1 1 2  5  25 o 66.380  0.7341 0.5051000      1.468000  
1 1 1 2  5  26 o 61.980  0.7768 0.6975000      1.554000  
1 1 1 2  5  27 o 35.360  1.1990 7.605000       2.399000  
1 1 1 2  5  28 o 10.730  2.9490 0.2579000      5.899000  
1 1 1 2  5  29 o 39.290  1.2250 0.1145000      2.450000  
1 1 1 2  5  30 o 25.000  1.9710 2.169000       3.942000  
1 1 1 2  5  31 o 40.000  1.2450 0.1495000      2.489000  
1 1 1 2  5  32 o 13.670  2.8790 9.242000       5.758000  
1 1 1 2  5  33 o 10.0000 2.8920 4.710000       5.784000  
1 1 1 2  5  34 o 29.430  1.7400 3.453000       3.480000  
1 1 1 2  5  35 o 9.5180  2.7980 -2.327000      5.596000  
1 1 1 2  5  36 o 18.140  2.6640 -8.052000      5.328000  
1 1 1 2  5  37 o 8.5060  2.7280 -0.3032000     5.456000  
1 1 1 2  6  0  f 116.900 1.0760 -0.000000      0.000000  
1 1 1 2  6  1  o 68.350  0.5101 1.283000       1.020000  
1 1 1 2  6  2  o 22.030  0.6840 -2.014000      1.368000  
1 1 1 2  6  3  o 135.200 0.9030 -2.442000      1.806000  
1 1 1 2  6  4  o 55.680  0.5398 -2.431000      1.080000  
1 1 1 2  6  5  o 79.120  0.5713 0.7572000      1.143000  
1 1 1 2  6  6  o 99.590  0.6785 0.4594000      1.357000  
1 1 1 2  6  7  o 145.900 0.9413 2.121000       1.883000  
1 1 1 2  6  8  o 50.310  0.5209 -0.6159000     1.042000  
1 1 1 2  6  9  o 66.030  0.5936 3.747000       1.187000  
1 1 1 2  6  10 o 52.910  0.5234 -0.3222000     1.047000  
1 1 1 2  6  11 o 130.600 0.8551 0.6064000      1.710000  
1 1 1 2  6  12 o 54.430  0.5662 -1.790000      1.132000  
1 1 1 2  6  13 o 42.780  0.6147 0.1951000      1.229000  
1 1 1 2  6  14 o 79.920  0.6271 1.304000       1.254000  
1 1 1 2  6  15 o 89.720  0.6644 1.007000       1.329000  
1 1 1 2  6  16 o 78.720  0.6376 -1.751000      1.275000  
1 1 1 2  6  17 f 84.380  0.6572 1.067000       1.314000  
1 1 1 2  6  18 o 18.120  1.6300 0.4038000      3.260000  
1 1 1 2  6  19 o 38.020  0.8498 -2.231000      1.700000  
1 1 1 2  6  20 o 101.300 0.7454 1.605000       1.491000  
1 1 1 2  6  21 o 8.9860  2.4670 2.692000       4.934000  
1 1 1 2  6  22 o 32.480  1.1170 -1.607000      2.235000  
1 1 1 2  6  23 o 48.280  0.8460 1.400000       1.692000  
1 1 1 2  6  24 o 31.100  1.2440 3.079000       2.487000  
1 1 1 2  6  25 o 33.760  1.3300 -8.275000      2.659000  
1 1 1 2  6  26 o 30.690  1.3550 -0.3055000     2.709000  
1 1 1 2  6  27 o 10.170  2.8140 0.2769000      5.628000  
1 1 1 2  6  28 o 41.740  1.0420 -2.415000      2.085000  
1 1 1 2  6  29 o 33.210  1.2750 -1.376000      2.551000  
1 1 1 2  6  30 o 33.230  1.3260 -2.457000      2.652000  
1 1 1 2  6  31 o 17.920  2.4570 -1.128000      4.915000  
1 1 1 2  6  32 o 10.290  2.5530 8.318000       5.106000  
1 1 1 2  6  33 o 24.000  2.0050 -6.013000      4.009000  
1 1 1 2  6  34 o 21.540  2.1920 3.182000       4.383000  
1 1 1 2  6  35 o 15.680  2.8850 -3.595000      5.771000  
1 1 1 2  6  36 o 10.150  2.9200 0.9280000      5.839000  
1 1 1 2  6  37 o 10.480  2.9440 -5.804000      5.887000  
1 1 1 2  7  0  o 40.990  0.7387 -0.000000      0.000000  
1 1 1 2  7  1  o 49.490  0.5097 -0.7084000E-01 1.019000  
1 1 1 2  7  2  o 181.600 1.1570 0.5594000      2.314000  
1 1 1 2  7  3  o 125.200 0.8910 0.1173000      1.782000  
1 1 1 2  7  4  o 157.800 1.0500 -0.4654000     2.101000  
1 1 1 2  7  5  o 137.700 0.9722 -0.9471000     1.944000  
1 1 1 2  7  6  f 51.020  0.5565 -0.8785000     1.113000  
1 1 1 2  7  7  o 98.370  0.6866 0.5538000      1.373000  
1 1 1 2  7  8  o 72.000  0.5916 0.6767000      1.183000  
1 1 1 2  7  9  o 27.930  0.8916 1.195000       1.783000  
1 1 1 2  7  10 o 37.960  0.7366 -0.2143000     1.473000  
1 1 1 2  7  11 o 58.950  0.5771 1.218000       1.154000  
1 1 1 2  7  12 o 19.030  1.2240 1.748000       2.448000  
1 1 1 2  7  13 o 13.730  1.9000 0.8334000      3.799000  
1 1 1 2  7  14 o 11.830  2.1430 -0.6857000     4.285000  
1 1 1 2  7  15 o 24.790  1.0870 -1.964000      2.174000  
1 1 1 2  7  16 o 51.020  0.6790 -0.3048000     1.358000  
1 1 1 2  7  17 o 25.180  1.2060 3.074000       2.412000  
1 1 1 2  7  18 o 91.170  0.7010 0.9080000      1.402000  
1 1 1 2  7  19 o 110.100 0.7922 -2.702000      1.584000  
1 1 1 2  7  20 o 64.690  0.7017 0.1356000      1.403000  
1 1 1 2  7  21 o 7.2420  2.2900 -0.4251000     4.580000  
1 1 1 2  7  22 o 54.440  0.7874 0.3809000      1.575000  
1 1 1 2  7  23 o 45.100  0.9309 -4.783000      1.862000  
1 1 1 2  7  24 o 52.130  0.8327 -1.913000      1.665000  
1 1 1 2  7  25 o 16.190  2.4600 2.499000       4.920000  
1 1 1 2  7  26 o 31.180  1.3710 -0.5035000     2.742000  
1 1 1 2  7  27 o 30.930  1.3850 -5.403000      2.769000  
1 1 1 2  7  28 o 26.620  1.5610 2.127000       3.122000  
1 1 1 2  7  29 o 15.020  2.6000 -7.552000      5.200000  
1 1 1 2  7  30 o 47.970  0.9676 -1.349000      1.935000  
1 1 1 2  7  31 o 34.380  1.3360 3.690000       2.672000  
1 1 1 2  7  32 o 21.890  2.0680 4.487000       4.137000  
1 1 1 2  7  33 o 11.160  2.9940 1.169000       5.989000  
1 1 1 2  7  34 o 10.770  2.7890 -6.205000      5.578000  
1 1 1 2  7  35 o 14.940  2.9970 2.560000       5.995000  
1 1 1 2  7  36 o 8.0870  2.6360 1.452000       5.272000  
1 1 1 2  8  0  o 41.360  0.8050 -0.000000      0.000000  
1 1 1 2  8  1  o 18.960  1.0680 2.319000       2.136000  
1 1 1 2  8  2  o 64.950  0.5645 1.554000       1.129000  
1 1 1 2  8  3  o 63.280  0.5717 -0.6350000     1.143000  
1 1 1 2  8  4  o 41.210  0.6603 -0.3567000     1.321000  
1 1 1 2  8  5  o 28.810  0.8643 -0.3599000     1.729000  
1 1 1 2  8  6  o 43.270  0.6896 -0.9675000     1.379000  
1 1 1 2  8  7  o 106.300 0.7435 1.782000       1.487000  
1 1 1 2  8  8  o 33.980  0.7727 -2.706000      1.545000  
1 1 1 2  8  9  o 118.700 0.8339 1.270000       1.668000  
1 1 1 2  8  10 o 35.660  0.7680 2.577000       1.536000  
1 1 1 2  8  11 o 10.240  2.1120 -4.953000      4.223000  
1 1 1 2  8  12 o 45.770  0.7330 -0.5404000     1.466000  
1 1 1 2  8  13 o 54.900  0.6477 0.5920000      1.295000  
1 1 1 2  8  14 o 74.740  0.6467 0.1754000      1.293000  
1 1 1 2  8  15 o 53.880  0.6855 0.1441000      1.371000  
1 1 1 2  8  16 o 62.060  0.6724 -1.239000      1.345000  
1 1 1 2  8  17 o 52.220  0.7078 0.9552000      1.416000  
1 1 1 2  8  18 o 32.660  1.0450 0.3386000      2.091000  
1 1 1 2  8  19 o 47.000  0.8173 1.867000       1.635000  
1 1 1 2  8  20 o 47.850  0.8291 -1.572000      1.658000  
1 1 1 2  8  21 o 63.870  0.7599 -1.351000      1.520000  
1 1 1 2  8  22 o 57.780  0.7885 -1.426000      1.577000  
1 1 1 2  8  23 o 16.700  2.4280 1.327000       4.856000  
1 1 1 2  8  24 f 30.910  1.4070 -3.320000      2.815000  
1 1 1 2  8  25 o 12.110  2.8430 0.2064000      5.685000  
1 1 1 2  8  26 o 50.780  0.9204 -0.2595000     1.841000  
1 1 1 2  8  27 o 50.330  0.9486 -0.5051000     1.897000  
1 1 1 2  8  28 o 41.780  1.1340 -0.6111000     2.269000  
1 1 1 2  8  29 o 48.760  0.9765 -0.4458000     1.953000  
1 1 1 2  8  30 o 40.300  1.1610 -1.653000      2.321000  
1 1 1 2  8  31 o 12.280  2.7350 8.545000       5.469000  
1 1 1 2  8  32 o 8.4070  2.6480 1.442000       5.296000  
1 1 1 2  8  33 o 9.2640  2.7900 2.827000       5.580000  
1 1 1 2  8  34 o 18.290  2.7340 -6.690000      5.467000  
1 1 1 2  8  35 o 12.000  3.1000 -0.8214000     6.200000  
1 1 1 2  8  36 o 7.7620  2.5760 2.308000       5.152000  
1 1 1 2  9  0  o 72.020  0.8584 -0.000000      0.000000  
1 1 1 2  9  1  o 81.390  0.6378 0.1702000      1.276000  
1 1 1 2  9  2  o 109.000 0.7589 -1.132000      1.518000  
1 1 1 2  9  3  o 35.920  0.7825 -2.349000      1.565000  
1 1 1 2  9  4  o 64.230  0.6268 0.8994000      1.254000  
1 1 1 2  9  5  o 55.420  0.6664 1.521000       1.333000  
1 1 1 2  9  6  o 153.000 1.0420 -0.3972000     2.085000  
1 1 1 2  9  7  o 88.190  0.7221 -0.7770000     1.444000  
1 1 1 2  9  8  o 53.640  0.6618 -0.8734000     1.324000  
1 1 1 2  9  9  o 65.560  0.6626 -0.9039000     1.325000  
1 1 1 2  9  10 o 79.500  0.6814 0.8798000      1.363000  
1 1 1 2  9  11 o 69.380  0.6757 0.3846000      1.351000  
1 1 1 2  9  12 o 40.370  0.7960 -2.715000      1.592000  
1 1 1 2  9  13 o 41.100  0.8029 1.854000       1.606000  
1 1 1 2  9  14 o 32.650  0.9612 -2.004000      1.922000  
1 1 1 2  9  15 o 32.330  1.0020 1.772000       2.005000  
1 1 1 2  9  16 o 10.590  2.5050 -2.352000      5.011000  
1 1 1 2  9  17 o 55.770  0.7273 -1.763000      1.455000  
1 1 1 2  9  18 o 10.720  2.6300 -0.1467000     5.261000  
1 1 1 2  9  19 o 33.280  1.1520 -2.303000      2.305000  
1 1 1 2  9  20 o 55.310  0.8111 1.015000       1.622000  
1 1 1 2  9  21 o 58.360  0.8035 3.481000       1.607000  
1 1 1 2  9  22 o 82.860  0.7725 -0.4798000     1.545000  
1 1 1 2  9  23 o 64.300  0.8182 2.434000       1.636000  
1 1 1 2  9  24 o 54.010  0.8975 -1.521000      1.795000  
1 1 1 2  9  25 o 33.270  1.3010 2.469000       2.602000  
1 1 1 2  9  26 o 24.550  1.8100 0.5753000      3.620000  
1 1 1 2  9  27 o 38.140  1.2260 -2.625000      2.452000  
1 1 1 2  9  28 o 49.130  0.9934 -2.660000      1.987000  
1 1 1 2  9  29 o 11.460  2.6870 7.788000       5.373000  
1 1 1 2  9  30 o 19.130  2.5120 0.6776000      5.024000  
1 1 1 2  9  31 o 10.750  2.9830 -0.2277000     5.965000  
1 1 1 2  9  32 o 19.270  2.5690 11.89000       5.139000  
1 1 1 2  9  33 o 16.670  3.0430 3.511000       6.085000  
1 1 1 2  9  34 o 11.540  3.0650 0.1459000      6.131000  
1 1 1 2  9  35 o 8.0730  2.6300 0.5269000      5.261000  
1 1 1 2  10 0  o 73.160  0.9247 -0.000000      0.000000  
1 1 1 2  10 1  o 78.510  0.6634 -1.282000      1.327000  
1 1 1 2  10 2  o 63.790  0.6589 1.408000       1.318000  
1 1 1 2  10 3  o 84.260  0.6844 -0.7097000     1.369000  
1 1 1 2  10 4  o 22.100  1.3510 3.045000       2.701000  
1 1 1 2  10 5  o 12.490  2.4670 2.528000       4.933000  
1 1 1 2  10 6  o 49.360  0.7729 1.489000       1.546000  
1 1 1 2  10 7  o 45.460  0.8784 2.768000       1.757000  
1 1 1 2  10 8  o 107.800 0.8232 1.562000       1.646000  
1 1 1 2  10 9  o 11.740  2.4880 3.696000       4.976000  
1 1 1 2  10 10 o 48.160  0.7890 -2.049000      1.578000  
1 1 1 2  10 11 o 37.180  0.9312 -0.4462000     1.862000  
1 1 1 2  10 12 o 106.900 0.8153 1.009000       1.631000  
1 1 1 2  10 13 o 36.450  0.9459 -3.047000      1.892000  
1 1 1 2  10 14 o 34.410  1.0520 -3.617000      2.104000  
1 1 1 2  10 15 o 95.390  0.7557 0.3310000      1.511000  
1 1 1 2  10 16 o 6.7730  2.1940 2.024000       4.387000  
1 1 1 2  10 17 o 42.440  0.9473 -0.6025000     1.895000  
1 1 1 2  10 18 o 45.970  0.9368 -2.873000      1.874000  
1 1 1 2  10 19 o 78.480  0.7681 -0.5460000E-01 1.536000  
1 1 1 2  10 20 o 17.120  2.4120 -4.678000      4.824000  
1 1 1 2  10 21 o 8.1440  2.5350 -2.600000      5.071000  
1 1 1 2  10 22 o 49.100  0.9681 1.117000       1.936000  
1 1 1 2  10 23 o 44.860  1.0500 5.339000       2.100000  
1 1 1 2  10 24 o 19.710  2.2640 -0.8385000E-01 4.527000  
1 1 1 2  10 25 o 76.070  0.8181 -1.682000      1.636000  
1 1 1 2  10 26 o 36.350  1.2600 -2.384000      2.519000  
1 1 1 2  10 27 o 34.290  1.3560 -0.1313000     2.712000  
1 1 1 2  10 28 o 38.580  1.2700 4.111000       2.540000  
1 1 1 2  10 29 o 14.730  2.8240 -6.502000      5.648000  
1 1 1 2  10 30 o 15.290  3.0540 -2.878000      6.109000  
1 1 1 2  10 31 o 15.060  3.0970 4.265000       6.194000  
1 1 1 2  10 32 o 16.710  2.9210 5.117000       5.842000  
1 1 1 2  10 33 o 8.7480  2.7080 3.399000       5.415000  
1 1 1 2  10 34 o 19.270  2.7490 5.793000       5.498000  
1 1 1 2  11 0  o 28.590  1.5880 -0.000000      0.000000  
1 1 1 2  11 1  o 27.670  1.1500 0.4346000      2.300000  
1 1 1 2  11 2  o 54.970  0.7264 0.4379000      1.453000  
1 1 1 2  11 3  o 54.980  0.7345 -1.298000      1.469000  
1 1 1 2  11 4  o 20.650  1.6230 0.5666000      3.246000  
1 1 1 2  11 5  o 69.400  0.7118 0.7282000      1.424000  
1 1 1 2  11 6  o 107.300 0.8251 1.309000       1.650000  
1 1 1 2  11 7  o 27.240  1.3380 -1.319000      2.676000  
1 1 1 2  11 8  o 60.280  0.7964 1.014000       1.593000  
1 1 1 2  11 9  o 22.620  1.7000 -2.086000      3.401000  
1 1 1 2  11 10 o 27.060  1.5220 -0.9291000     3.043000  
1 1 1 2  11 11 o 78.930  0.7494 2.267000       1.499000  
1 1 1 2  11 12 o 72.930  0.7518 -2.024000      1.504000  
1 1 1 2  11 13 f 37.400  0.9998 0.8944000      2.000000  
1 1 1 2  11 14 o 61.140  0.7695 1.274000       1.539000  
1 1 1 2  11 15 o 36.430  1.1130 1.854000       2.227000  
1 1 1 2  11 16 o 116.300 0.8943 -0.9997000     1.789000  
1 1 1 2  11 17 o 56.550  0.9078 3.659000       1.816000  
1 1 1 2  11 18 o 28.760  1.4330 -2.844000      2.865000  
1 1 1 2  11 19 o 47.720  0.9995 2.583000       1.999000  
1 1 1 2  11 20 o 23.280  1.9160 1.133000       3.833000  
1 1 1 2  11 21 f 93.040  0.8187 0.1295000      1.637000  
1 1 1 2  11 22 o 36.990  1.2310 1.865000       2.462000  
1 1 1 2  11 23 o 26.980  1.8070 7.867000       3.613000  
1 1 1 2  11 24 o 19.200  2.5290 8.819000       5.058000  
1 1 1 2  11 25 o 11.540  2.9480 -3.103000      5.895000  
1 1 1 2  11 26 o 31.870  1.5280 2.383000       3.055000  
1 1 1 2  11 27 o 47.630  1.0670 2.490000       2.135000  
1 1 1 2  11 28 o 26.240  1.8200 1.277000       3.641000  
1 1 1 2  11 29 o 30.550  1.6200 -2.224000      3.240000  
1 1 1 2  11 30 o 13.470  3.0630 4.072000       6.126000  
1 1 1 2  11 31 o 14.450  2.7460 -9.494000      5.492000  
1 1 1 2  11 32 o 9.9890  2.9220 -1.676000      5.844000  
1 1 1 2  11 33 o 9.7230  2.9070 -2.326000      5.814000  
1 1 1 2  12 0  o 89.740  1.0610 -0.000000      0.000000  
1 1 1 2  12 1  o 32.190  1.2170 -0.1421000     2.433000  
1 1 1 2  12 2  o 74.300  0.7393 -4.141000      1.479000  
1 1 1 2  12 3  o 75.790  0.7299 1.165000       1.460000  
1 1 1 2  12 4  o 16.220  2.2760 0.9987000      4.552000  
1 1 1 2  12 5  o 54.790  0.8131 -0.6109000     1.626000  
1 1 1 2  12 6  o 12.080  2.8650 -1.766000      5.729000  
1 1 1 2  12 7  o 29.150  1.2930 -4.631000      2.586000  
1 1 1 2  12 8  o 63.270  0.8330 0.4275000      1.666000  
1 1 1 2  12 9  o 71.410  0.8965 -5.420000      1.793000  
1 1 1 2  12 10 o 85.990  0.8131 -1.724000      1.626000  
1 1 1 2  12 11 o 52.420  0.8627 0.1269000      1.725000  
1 1 1 2  12 12 o 37.010  1.2060 -0.4481000E-01 2.412000  
1 1 1 2  12 13 o 11.880  2.4050 10.71000       4.809000  
1 1 1 2  12 14 o 28.400  1.5240 -2.021000      3.047000  
1 1 1 2  12 15 o 65.310  0.8522 -1.941000      1.704000  
1 1 1 2  12 16 o 133.600 0.9852 -3.031000      1.970000  
1 1 1 2  12 17 o 90.620  0.8596 3.400000       1.719000  
1 1 1 2  12 18 o 60.820  0.9524 2.318000       1.905000  
1 1 1 2  12 19 o 42.710  1.1270 1.538000       2.254000  
1 1 1 2  12 20 o 31.790  1.5170 1.087000       3.035000  
1 1 1 2  12 21 o 11.720  3.0060 0.6795000      6.013000  
1 1 1 2  12 22 o 54.420  0.9612 0.1137000E-01  1.922000  
1 1 1 2  12 23 o 42.580  1.1180 1.677000       2.235000  
1 1 1 2  12 24 o 6.9710  2.3450 -2.198000      4.689000  
1 1 1 2  12 25 o 64.440  0.9081 1.286000       1.816000  
1 1 1 2  12 26 o 8.0870  2.5930 -1.962000      5.185000  
1 1 1 2  12 27 o 19.450  2.5760 7.472000       5.153000  
1 1 1 2  12 28 o 11.290  3.0330 -0.3032000     6.066000  
1 1 1 2  12 29 o 20.240  2.5790 8.258000       5.159000  
1 1 1 2  12 30 o 9.4530  2.8620 -2.773000      5.723000  
1 1 1 2  12 31 o 22.500  2.3380 4.138000       4.676000  
1 1 1 2  12 32 o 14.110  3.2450 1.450000       6.490000  
1 1 1 2  13 0  o 110.700 1.1830 -0.000000      0.000000  
1 1 1 2  13 1  o 78.790  0.7601 2.657000       1.520000  
1 1 1 2  13 2  o 41.450  1.1610 -5.368000      2.321000  
1 1 1 2  13 3  o 12.840  2.6850 4.188000       5.369000  
1 1 1 2  13 4  o 49.250  0.9191 2.089000       1.838000  
1 1 1 2  13 5  o 95.110  0.7970 -1.689000      1.594000  
1 1 1 2  13 6  o 52.790  0.9072 0.7244000      1.814000  
1 1 1 2  13 7  o 76.880  0.8135 -2.917000      1.627000  
1 1 1 2  13 8  o 30.240  1.5660 4.714000       3.133000  
1 1 1 2  13 9  o 102.600 0.8731 0.2736000      1.746000  
1 1 1 2  13 10 o 44.920  1.1310 -0.7606000     2.263000  
1 1 1 2  13 11 o 59.500  0.9607 -0.8814000E-01 1.921000  
1 1 1 2  13 12 o 134.400 0.9665 0.1642000      1.933000  
1 1 1 2  13 13 o 26.780  1.7650 -1.461000      3.529000  
1 1 1 2  13 14 o 62.770  0.9020 -2.271000      1.804000  
1 1 1 2  13 15 o 85.350  0.8550 -2.514000      1.710000  
1 1 1 2  13 16 o 62.240  0.9100 -0.6571000     1.820000  
1 1 1 2  13 17 o 31.360  1.5430 1.193000       3.086000  
1 1 1 2  13 18 o 9.2630  2.8270 1.509000       5.655000  
1 1 1 2  13 19 o 23.160  2.1360 -3.386000      4.272000  
1 1 1 2  13 20 o 18.970  2.5760 -0.6253000     5.153000  
1 1 1 2  13 21 o 14.200  3.0640 -1.487000      6.129000  
1 1 1 2  13 22 o 8.8950  2.7360 -1.351000      5.473000  
1 1 1 2  13 23 o 9.7670  2.8180 3.880000       5.637000  
1 1 1 2  13 24 o 26.720  1.8070 0.5549000      3.615000  
1 1 1 2  13 25 f 17.290  2.8470 -3.576000      5.694000  
1 1 1 2  13 26 o 14.170  3.1380 1.804000       6.275000  
1 1 1 2  13 27 o 15.020  3.0810 2.389000       6.162000  
1 1 1 2  13 28 o 25.150  2.0650 -3.063000      4.129000  
1 1 1 2  13 29 o 14.580  2.9740 7.561000       5.948000  
1 1 1 2  13 30 o 25.010  2.0630 -0.2661000     4.126000  
1 1 1 2  13 31 o 9.1640  2.8460 2.041000       5.692000  
1 1 1 2  14 0  o 72.850  1.3260 -0.000000      0.000000  
1 1 1 2  14 1  o 114.400 0.8717 -1.236000      1.743000  
1 1 1 2  14 2  o 85.990  0.8995 6.971000       1.799000  
1 1 1 2  14 3  o 112.400 0.8692 -1.090000      1.738000  
1 1 1 2  14 4  f 60.980  0.9711 -2.164000      1.942000  
1 1 1 2  14 5  o 62.930  0.8971 1.910000       1.794000  
1 1 1 2  14 6  o 141.300 1.0010 -0.4030000     2.003000  
1 1 1 2  14 7  o 93.570  0.9259 -1.612000      1.852000  
1 1 1 2  14 8  o 51.470  1.0310 1.361000       2.062000  
1 1 1 2  14 9  o 75.080  0.9476 -0.9454000     1.895000  
1 1 1 2  14 10 o 24.290  2.0850 -0.7814000     4.169000  
1 1 1 2  14 11 o 29.420  1.7580 -3.618000      3.517000  
1 1 1 2  14 12 o 19.540  2.4790 -4.586000      4.958000  
1 1 1 2  14 13 o 53.970  1.0690 -1.429000      2.138000  
1 1 1 2  14 14 o 37.320  1.4510 5.638000       2.901000  
1 1 1 2  14 15 o 49.580  1.1870 0.1808000      2.373000  
1 1 1 2  14 16 o 27.410  1.8140 -5.086000      3.628000  
1 1 1 2  14 17 o 20.180  2.6590 0.5654000      5.319000  
1 1 1 2  14 18 o 74.780  0.9212 0.2092000      1.842000  
1 1 1 2  14 19 o 39.220  1.3140 2.962000       2.629000  
1 1 1 2  14 20 o 27.810  1.9360 4.916000       3.871000  
1 1 1 2  14 21 o 28.730  1.8620 0.9128000      3.724000  
1 1 1 2  14 22 o 9.2640  2.7310 -5.643000      5.463000  
1 1 1 2  14 23 o 40.530  1.2770 1.765000       2.555000  
1 1 1 2  14 24 o 9.2100  2.8490 -0.7313000     5.699000  
1 1 1 2  14 25 o 14.640  3.0250 5.767000       6.049000  
1 1 1 2  14 26 o 33.520  1.5730 -1.234000      3.146000  
1 1 1 2  14 27 o 12.720  3.1360 -2.957000      6.273000  
1 1 1 2  14 28 o 22.340  2.3890 -2.235000      4.779000  
1 1 1 2  14 29 o 15.180  3.1600 -0.2076000     6.319000  
1 1 1 2  15 0  o 106.700 1.2140 -0.000000      0.000000  
1 1 1 2  15 1  o 110.500 0.8813 -4.778000      1.763000  
1 1 1 2  15 2  o 41.960  1.3310 12.12000       2.662000  
1 1 1 2  15 3  o 69.210  0.8683 -0.5596000     1.737000  
1 1 1 2  15 4  o 83.790  0.8441 -1.042000      1.688000  
1 1 1 2  15 5  o 64.380  0.9234 -1.551000      1.847000  
1 1 1 2  15 6  o 54.740  1.0220 -1.253000      2.044000  
1 1 1 2  15 7  o 65.530  0.9267 2.560000       1.853000  
1 1 1 2  15 8  o 89.170  0.8940 0.9557000E-01  1.788000  
1 1 1 2  15 9  o 55.300  1.0840 3.638000       2.169000  
1 1 1 2  15 10 f 81.140  0.9377 0.5947000      1.875000  
1 1 1 2  15 11 f 74.950  1.0760 -3.022000      2.152000  
1 1 1 2  15 12 o 35.820  1.6880 0.1964000      3.376000  
1 1 1 2  15 13 o 14.950  3.1770 -1.886000      6.353000  
1 1 1 2  15 14 o 75.930  0.9246 -0.2771000E-01 1.849000  
1 1 1 2  15 15 o 23.100  2.4450 -0.6426000     4.891000  
1 1 1 2  15 16 o 13.530  3.2300 1.588000       6.461000  
1 1 1 2  15 17 f 10.520  2.9790 -1.014000      5.958000  
1 1 1 2  15 18 o 10.360  2.8350 -5.495000      5.670000  
1 1 1 2  15 19 o 46.630  1.1800 1.227000       2.361000  
1 1 1 2  15 20 o 17.110  2.7570 -11.78000      5.513000  
1 1 1 2  15 21 f 21.740  2.3980 4.501000       4.796000  
1 1 1 2  15 22 o 33.520  1.6690 -0.4489000     3.339000  
1 1 1 2  15 23 o 12.450  3.2240 -0.6471000     6.448000  
1 1 1 2  15 24 o 15.030  3.0770 -3.069000      6.153000  
1 1 1 2  15 25 o 9.4990  2.8890 -2.211000      5.778000  
1 1 1 2  15 26 o 27.150  1.8480 0.8679000      3.696000  
1 1 1 2  15 27 o 12.990  2.8580 7.709000       5.717000  
1 1 1 2  15 28 o 11.190  3.0200 4.722000       6.040000  
1 1 1 2  16 0  o 29.620  2.4700 -0.000000      0.000000  
1 1 1 2  16 1  o 48.130  1.1570 3.411000       2.313000  
1 1 1 2  16 2  o 47.190  1.1620 2.251000       2.325000  
1 1 1 2  16 3  o 60.980  0.9878 0.1190000      1.976000  
1 1 1 2  16 4  o 45.020  1.2180 -0.3996000     2.436000  
1 1 1 2  16 5  o 44.780  1.2660 2.019000       2.532000  
1 1 1 2  16 6  o 60.750  1.0440 -1.096000      2.088000  
1 1 1 2  16 7  o 43.330  1.3280 0.3039000E-01  2.656000  
1 1 1 2  16 8  o 30.460  2.0650 -5.507000      4.131000  
1 1 1 2  16 9  o 46.030  1.3070 -0.4177000     2.613000  
1 1 1 2  16 10 f 68.370  1.0230 -2.646000      2.045000  
1 1 1 2  16 11 o 17.650  3.1500 -0.8507000     6.301000  
1 1 1 2  16 12 o 40.090  1.5510 -2.725000      3.102000  
1 1 1 2  16 13 o 29.210  1.8130 0.3200000      3.627000  
1 1 1 2  16 14 o 75.460  0.9437 -1.102000      1.887000  
1 1 1 2  16 15 o 12.950  3.2840 -2.099000      6.568000  
1 1 1 2  16 16 o 10.830  3.1150 2.146000       6.231000  
1 1 1 2  16 17 o 26.190  2.2090 1.337000       4.419000  
1 1 1 2  16 18 o 31.460  1.7840 2.940000       3.568000  
1 1 1 2  16 19 o 27.020  2.0170 2.734000       4.033000  
1 1 1 2  16 20 o 28.550  1.8450 -0.4947000     3.690000  
1 1 1 2  16 21 o 16.030  3.0650 -4.622000      6.130000  
1 1 1 2  16 22 o 11.830  3.2170 1.997000       6.434000  
1 1 1 2  16 23 o 11.260  2.9740 -5.521000      5.948000  
1 1 1 2  16 24 o 12.080  3.1680 -0.4715000     6.337000  
1 1 1 2  16 25 o 9.5150  2.9030 -2.016000      5.806000  
1 1 1 2  16 26 o 9.3320  2.6530 -6.838000      5.307000  
1 1 1 2  17 0  o 71.080  1.3530 -0.000000      0.000000  
1 1 1 2  17 1  o 99.080  0.9121 1.109000       1.824000  
1 1 1 2  17 2  o 49.160  1.3270 -8.454000      2.653000  
1 1 1 2  17 3  o 18.580  2.9970 -4.761000      5.994000  
1 1 1 2  17 4  o 19.520  2.8580 -5.178000      5.717000  
1 1 1 2  17 5  o 26.470  2.2390 -4.599000      4.479000  
1 1 1 2  17 6  o 57.150  1.1300 -2.149000      2.260000  
1 1 1 2  17 7  o 29.020  2.0360 1.953000       4.073000  
1 1 1 2  17 8  o 19.070  3.1720 -0.6618000E-01 6.345000  
1 1 1 2  17 9  o 29.560  1.9770 -3.416000      3.954000  
1 1 1 2  17 10 o 18.920  3.0610 2.147000       6.121000  
1 1 1 2  17 11 o 41.750  1.5250 4.178000       3.051000  
1 1 1 2  17 12 o 60.230  1.1650 3.185000       2.331000  
1 1 1 2  17 13 o 36.530  1.8550 -0.9550000     3.711000  
1 1 1 2  17 14 o 23.190  2.4280 -0.4380000     4.855000  
1 1 1 2  17 15 o 14.510  3.3250 -1.480000      6.650000  
1 1 1 2  17 16 o 27.500  2.0980 1.452000       4.196000  
1 1 1 2  17 17 o 9.8020  2.9920 -0.5687000E-01 5.983000  
1 1 1 2  17 18 o 15.490  3.3030 -1.499000      6.605000  
1 1 1 2  17 19 o 21.220  2.6590 0.1289000      5.319000  
1 1 1 2  17 20 f 11.140  3.1980 1.249000       6.396000  
1 1 1 2  17 21 o 29.540  1.7270 4.804000       3.454000  
1 1 1 2  17 22 o 20.600  2.5690 2.641000       5.138000  
1 1 1 2  17 23 o 21.960  2.5150 10.05000       5.031000  
1 1 1 2  17 24 o 10.760  2.9360 4.910000       5.873000  
1 1 1 2  18 0  o 58.680  1.7610 -0.000000      0.000000  
1 1 1 2  18 1  o 81.070  0.9489 -0.7047000     1.898000  
1 1 1 2  18 2  o 77.840  0.9675 -1.802000      1.935000  
1 1 1 2  18 3  o 62.000  1.0770 2.231000       2.153000  
1 1 1 2  18 4  o 31.440  1.8930 6.015000       3.785000  
1 1 1 2  18 5  o 38.700  1.5640 2.189000       3.127000  
1 1 1 2  18 6  o 27.220  2.2610 -6.623000      4.523000  
1 1 1 2  18 7  o 55.840  1.1850 -0.5030000     2.370000  
1 1 1 2  18 8  o 16.970  3.2900 -6.132000      6.580000  
1 1 1 2  18 9  o 68.590  1.0930 4.008000       2.186000  
1 1 1 2  18 10 o 33.660  1.9380 2.868000       3.876000  
1 1 1 2  18 11 o 16.110  3.4310 0.3045000      6.862000  
1 1 1 2  18 12 o 29.570  2.3840 5.169000       4.767000  
1 1 1 2  18 13 f 14.070  3.3870 2.519000       6.774000  
1 1 1 2  18 14 o 44.600  1.3070 -3.449000      2.614000  
1 1 1 2  18 15 o 31.980  1.7550 3.614000       3.511000  
1 1 1 2  18 16 o 13.160  3.2100 -4.351000      6.421000  
1 1 1 2  18 17 o 13.130  3.1310 3.936000       6.263000  
1 1 1 2  18 18 o 8.1210  2.6500 -2.095000      5.301000  
1 1 1 2  18 19 o 22.810  2.3240 1.318000       4.647000  
1 1 1 2  18 20 o 9.0690  2.8590 0.2339000      5.718000  
1 1 1 2  18 21 o 11.670  2.9840 -4.909000      5.968000  
1 1 1 2  18 22 f 12.980  3.1000 4.832000       6.199000  
1 1 1 2  19 0  o 29.670  2.9430 -0.000000      0.000000  
1 1 1 2  19 1  o 39.470  1.5870 1.734000       3.174000  
1 1 1 2  19 2  o 36.600  1.7070 7.111000       3.414000  
1 1 1 2  19 3  o 51.110  1.2940 2.545000       2.587000  
1 1 1 2  19 4  o 36.920  1.6610 -1.411000      3.321000  
1 1 1 2  19 5  o 46.280  1.3690 0.2739000      2.738000  
1 1 1 2  19 6  o 25.320  2.4920 2.594000       4.985000  
1 1 1 2  19 7  o 12.430  3.3580 2.335000       6.716000  
1 1 1 2  19 8  o 27.240  2.3160 2.226000       4.632000  
1 1 1 2  19 9  o 19.110  2.9370 15.21000       5.873000  
1 1 1 2  19 10 o 15.930  3.3180 -3.699000      6.637000  
1 1 1 2  19 11 o 13.710  2.8740 8.746000       5.748000  
1 1 1 2  19 12 o 12.530  3.3420 -4.215000      6.685000  
1 1 1 2  19 13 o 11.150  3.0060 3.910000       6.012000  
1 1 1 2  19 14 o 18.400  2.9010 -2.011000      5.803000  
1 1 1 2  19 15 o 14.680  2.9310 7.991000       5.862000  
1 1 1 2  19 16 o 18.240  2.7220 0.7265000      5.445000  
1 1 1 2  19 17 o 10.020  2.8580 4.003000       5.716000  
1 1 1 2  19 18 o 8.6830  2.7050 -0.4010000     5.409000  
1 1 1 2  19 19 o 15.050  2.9490 -3.061000      5.897000  
1 1 1 2  20 0  o 41.210  2.0040 -0.000000      0.000000  
1 1 1 2  20 1  o 35.540  1.5680 0.9319000      3.136000  
1 1 1 2  20 2  o 11.730  3.2210 -0.9949000     6.443000  
1 1 1 2  20 3  o 23.520  2.5750 5.578000       5.150000  
1 1 1 2  20 4  o 15.730  3.1410 6.046000       6.282000  
1 1 1 2  20 5  o 17.310  2.8640 -7.909000      5.728000  
1 1 1 2  20 6  o 22.350  2.4810 -7.477000      4.963000  
1 1 1 2  20 7  o 23.560  2.2880 -3.636000      4.576000  
1 1 1 2  20 8  o 8.1190  2.6720 0.5535000E-01  5.344000  
1 1 1 2  20 9  o 12.550  3.2430 2.748000       6.485000  
1 1 1 2  20 10 o 34.920  1.6690 2.724000       3.338000  
1 1 1 2  20 11 o 26.560  2.9910 14.68000       5.983000  
1 1 1 2  20 12 f 11.690  3.0910 1.846000       6.182000  
1 1 1 2  20 13 o 20.200  2.6400 -1.323000      5.280000  
1 1 1 2  20 14 f 10.040  2.7080 -6.324000      5.416000  
1 1 1 2  20 15 f 12.400  2.8900 -5.542000      5.779000  
1 1 1 2  20 16 o 9.8860  2.7580 5.113000       5.516000  
1 1 1 2  21 0  o 9.0660  4.9600 -0.000000      0.000000  
1 1 1 2  21 1  o 12.670  2.9210 4.288000       5.842000  
1 1 1 2  21 2  o 29.340  1.6680 1.635000       3.336000  
1 1 1 2  21 3  o 28.940  1.6670 5.535000       3.334000  
1 1 1 2  21 4  o 11.100  2.9640 2.457000       5.927000  
1 1 1 2  21 5  o 12.450  3.0490 -0.7967000     6.098000  
1 1 1 2  21 6  o 19.230  2.5290 -6.940000      5.059000  
1 1 1 2  21 7  o 9.1810  2.7800 1.905000       5.559000  
1 1 1 2  21 8  o 17.860  2.6170 -0.1563000     5.235000  
1 1 1 2  21 9  o 18.930  2.3570 -1.260000      4.714000  
1 1 1 2  21 10 o 19.720  2.4180 -2.686000      4.837000  
1 1 1 2  21 11 o 23.540  2.1280 1.743000       4.256000  
1 1 1 2  22 0  o 15.180  4.4510 -0.000000      0.000000  
1 1 1 2  22 1  o 18.290  2.3780 -5.992000      4.756000  
1 1 1 2  22 2  o 17.910  2.7790 0.6404000      5.557000  
1 1 1 2  22 3  o 10.650  4.9130 ?              ?         
1 1 1 3  0  1  x ?       ?      ?              ?         
1 1 1 3  0  2  o 56.800  0.5891 -0.000000      0.000000  
1 1 1 3  0  3  o 118.800 1.0750 -0.000000      0.000000  
1 1 1 3  0  4  o 83.860  0.9063 -0.000000      0.000000  
1 1 1 3  0  5  o 109.500 0.9973 -0.000000      0.000000  
1 1 1 3  0  6  f 127.200 1.1510 -0.000000      0.000000  
1 1 1 3  0  7  o 92.690  0.8700 -0.000000      0.000000  
1 1 1 3  0  8  o 262.100 2.6880 -0.000000      0.000000  
1 1 1 3  0  9  o 7.3690  2.9300 -0.000000      0.000000  
1 1 1 3  0  10 o 115.800 1.0640 -0.000000      0.000000  
1 1 1 3  0  11 o 40.030  0.7125 -0.000000      0.000000  
1 1 1 3  0  12 o 174.300 1.5630 -0.000000      0.000000  
1 1 1 3  0  13 o 56.700  0.7066 -0.000000      0.000000  
1 1 1 3  0  14 o 11.460  2.6030 -0.000000      0.000000  
1 1 1 3  0  15 o 13.060  2.4740 -0.000000      0.000000  
1 1 1 3  0  16 o 38.270  0.9186 -0.000000      0.000000  
1 1 1 3  0  17 o 32.240  1.1050 -0.000000      0.000000  
1 1 1 3  0  18 o 68.570  0.8550 -0.000000      0.000000  
1 1 1 3  0  19 o 13.110  3.4910 -0.000000      0.000000  
1 1 1 3  0  20 o 7.6510  3.9560 -0.000000      0.000000  
1 1 1 3  0  21 o 6.4120  3.7590 -0.000000      0.000000  
1 1 1 3  0  22 o 54.460  1.0020 -0.000000      0.000000  
1 1 1 3  0  23 o 37.830  1.3060 -0.000000      0.000000  
1 1 1 3  0  24 o 25.910  1.8950 -0.000000      0.000000  
1 1 1 3  0  25 o 112.400 1.1400 -0.000000      0.000000  
1 1 1 3  0  26 o 10.260  4.7690 -0.000000      0.000000  
1 1 1 3  0  27 o 46.570  1.2860 -0.000000      0.000000  
1 1 1 3  0  28 o 5.2080  3.5430 -0.000000      0.000000  
1 1 1 3  0  29 o 33.350  1.7160 -0.000000      0.000000  
1 1 1 3  0  30 o 34.580  1.6860 -0.000000      0.000000  
1 1 1 3  0  31 o 25.700  2.3620 -0.000000      0.000000  
1 1 1 3  0  32 o 5.8370  3.8630 -0.000000      0.000000  
1 1 1 3  0  33 o 14.840  4.7550 -0.000000      0.000000  
1 1 1 3  0  34 o 8.7840  4.8460 -0.000000      0.000000  
1 1 1 3  0  35 o 15.730  4.6490 -0.000000      0.000000  
1 1 1 3  0  36 f 8.3300  4.7750 -0.000000      0.000000  
1 1 1 3  0  37 o 7.5980  4.6350 -0.000000      0.000000  
1 1 1 3  0  38 o 6.4130  4.2930 -0.000000      0.000000  
1 1 1 3  1  0  o 44.290  0.5049 -0.000000      0.000000  
1 1 1 3  1  1  o 146.000 1.0680 2.751000       2.135000  
1 1 1 3  1  2  o 73.230  0.4934 0.3616000      0.9868000 
1 1 1 3  1  3  o 162.400 1.3260 -0.2341000     2.651000  
1 1 1 3  1  4  o 45.380  0.4572 -0.8702000     0.9145000 
1 1 1 3  1  5  o 79.800  0.5780 0.1481000      1.156000  
1 1 1 3  1  6  o 161.800 1.0230 -2.517000      2.047000  
1 1 1 3  1  7  o 126.000 0.8065 1.525000       1.613000  
1 1 1 3  1  8  o 107.400 0.6974 1.020000       1.395000  
1 1 1 3  1  9  o 21.730  0.6731 0.5369000      1.346000  
1 1 1 3  1  10 o 112.800 0.7353 -0.2616000     1.471000  
1 1 1 3  1  11 o 143.200 0.9159 -0.8192000     1.832000  
1 1 1 3  1  12 o 31.360  0.6126 2.064000       1.225000  
1 1 1 3  1  13 o 76.770  0.5580 -1.170000      1.116000  
1 1 1 3  1  14 o 55.330  0.5232 0.6969000E-02  1.046000  
1 1 1 3  1  15 o 88.700  0.6283 -1.653000      1.257000  
1 1 1 3  1  16 o 79.980  0.6019 -0.4930000     1.204000  
1 1 1 3  1  17 o 43.670  0.6319 -0.4167000     1.264000  
1 1 1 3  1  18 o 59.650  0.5993 1.219000       1.199000  
1 1 1 3  1  19 o 82.130  0.6400 -0.3011000E-01 1.280000  
1 1 1 3  1  20 o 81.020  0.6467 0.8349000      1.293000  
1 1 1 3  1  21 o 72.320  0.6441 -1.903000      1.288000  
1 1 1 3  1  22 o 41.400  0.8370 0.2104000      1.674000  
1 1 1 3  1  23 o 14.660  2.2650 1.077000       4.530000  
1 1 1 3  1  24 f 21.900  1.6470 -0.2856000     3.294000  
1 1 1 3  1  25 o 63.470  0.7462 0.7867000      1.492000  
1 1 1 3  1  26 o 37.140  1.1150 0.2291000      2.231000  
1 1 1 3  1  27 o 69.500  0.7461 -1.426000      1.492000  
1 1 1 3  1  28 o 17.420  2.4050 2.258000       4.810000  
1 1 1 3  1  29 o 23.970  1.7370 1.190000       3.475000  
1 1 1 3  1  30 o 26.980  1.7130 -4.669000      3.427000  
1 1 1 3  1  31 o 21.750  1.9500 -2.964000      3.901000  
1 1 1 3  1  32 o 15.440  2.7110 -3.698000      5.421000  
1 1 1 3  1  33 o 32.890  1.3540 0.3101000      2.708000  
1 1 1 3  1  34 o 10.800  2.8070 -5.583000      5.614000  
1 1 1 3  1  35 o 27.380  1.7290 1.214000       3.458000  
1 1 1 3  1  36 o 8.9020  2.7480 0.3831000      5.496000  
1 1 1 3  1  37 o 9.7010  2.8030 -4.315000      5.606000  
1 1 1 3  1  38 o 11.740  3.1050 -4.038000      6.209000  
1 1 1 3  2  0  o 161.400 2.9020 -0.000000      0.000000  
1 1 1 3  2  1  o 100.600 0.6495 -2.222000      1.299000  
1 1 1 3  2  2  o 102.600 0.6870 -2.274000      1.374000  
1 1 1 3  2  3  o 102.700 0.6636 -1.213000      1.327000  
1 1 1 3  2  4  o 116.000 0.7432 1.616000       1.486000  
1 1 1 3  2  5  o 115.600 0.7425 -1.292000      1.485000  
1 1 1 3  2  6  o 251.800 3.1850 -0.1941000     6.370000  
1 1 1 3  2  7  o 113.100 0.7319 0.3987000      1.464000  
1 1 1 3  2  8  f 10.470  1.2640 -0.2425000E-01 2.528000  
1 1 1 3  2  9  o 134.500 0.8624 0.3077000      1.725000  
1 1 1 3  2  10 o 24.260  0.8666 0.3798000      1.733000  
1 1 1 3  2  11 o 179.500 1.1380 2.233000       2.277000  
1 1 1 3  2  12 o 40.480  0.5266 -0.2447000     1.053000  
1 1 1 3  2  13 o 21.420  0.8729 -0.9798000     1.746000  
1 1 1 3  2  14 o 91.240  0.6392 2.332000       1.278000  
1 1 1 3  2  15 o 66.140  0.5629 -0.4188000E-01 1.126000  
1 1 1 3  2  16 o 54.920  0.5806 1.270000       1.161000  
1 1 1 3  2  17 o 39.680  0.6900 -0.7240000     1.380000  
1 1 1 3  2  18 o 26.790  0.9652 -1.048000      1.930000  
1 1 1 3  2  19 o 52.930  0.6454 -0.8598000     1.291000  
1 1 1 3  2  20 o 23.150  1.2570 -2.985000      2.514000  
1 1 1 3  2  21 o 96.970  0.7154 2.319000       1.431000  
1 1 1 3  2  22 o 43.350  0.8014 -4.324000      1.603000  
1 1 1 3  2  23 o 30.280  1.1500 0.1136000      2.299000  
1 1 1 3  2  24 o 68.130  0.7078 2.555000       1.416000  
1 1 1 3  2  25 o 111.500 0.8096 1.165000       1.619000  
1 1 1 3  2  26 o 8.6240  2.5800 1.174000       5.161000  
1 1 1 3  2  27 o 57.600  0.8100 0.8658000      1.620000  
1 1 1 3  2  28 o 35.420  1.1910 -1.610000      2.382000  
1 1 1 3  2  29 o 41.410  1.0320 -0.3196000     2.065000  
1 1 1 3  2  30 o 24.440  1.7290 -2.869000      3.458000  
1 1 1 3  2  31 f 31.370  1.3690 -1.906000      2.738000  
1 1 1 3  2  32 o 21.150  2.1200 4.336000       4.240000  
1 1 1 3  2  33 o 13.900  2.8380 -3.535000      5.676000  
1 1 1 3  2  34 o 28.160  1.6650 -4.762000      3.330000  
1 1 1 3  2  35 o 27.310  1.7080 -5.414000      3.417000  
1 1 1 3  2  36 o 12.350  3.0730 -1.707000      6.145000  
1 1 1 3  2  37 o 12.020  3.1000 -1.118000      6.199000  
1 1 1 3  2  38 o 8.1500  2.6960 -0.5998000E-01 5.393000  
1 1 1 3  3  0  o 196.000 2.4790 -0.000000      0.000000  
1 1 1 3  3  1  o 68.790  0.6065 2.133000       1.213000  
1 1 1 3  3  2  o 110.500 0.8282 0.7014000      1.656000  
1 1 1 3  3  3  o 228.200 2.4920 5.016000       4.984000  
1 1 1 3  3  4  o 143.200 1.1880 -2.026000      2.376000  
1 1 1 3  3  5  o 19.360  0.5004 0.9769000      1.001000  
1 1 1 3  3  6  o 151.300 1.0380 1.785000       2.077000  
1 1 1 3  3  7  o 152.400 1.0010 -0.7154000     2.002000  
1 1 1 3  3  8  o 145.200 0.9261 -0.3927000     1.852000  
1 1 1 3  3  9  o 102.800 0.6790 -2.135000      1.358000  
1 1 1 3  3  10 o 97.580  0.6558 0.3341000      1.312000  
1 1 1 3  3  11 o 102.800 0.6860 -0.5566000     1.372000  
1 1 1 3  3  12 o 18.340  1.0050 2.923000       2.010000  
1 1 1 3  3  13 o 131.800 0.8555 1.600000       1.711000  
1 1 1 3  3  14 o 123.000 0.8103 0.7714000      1.621000  
1 1 1 3  3  15 o 31.160  0.7763 2.649000       1.553000  
1 1 1 3  3  16 o 69.430  0.5881 -0.6516000     1.176000  
1 1 1 3  3  17 o 18.410  1.3870 -1.237000      2.773000  
1 1 1 3  3  18 o 82.990  0.6484 0.8548000E-01  1.297000  
1 1 1 3  3  19 o 81.020  0.6510 0.2383000      1.302000  
1 1 1 3  3  20 o 61.660  0.6473 -0.7036000E-01 1.295000  
1 1 1 3  3  21 o 45.560  0.7536 -1.562000      1.507000  
1 1 1 3  3  22 f 68.100  0.6609 0.9613000      1.322000  
1 1 1 3  3  23 o 5.9720  2.0060 -0.6312000     4.012000  
1 1 1 3  3  24 o 83.980  0.7128 -0.5071000     1.426000  
1 1 1 3  3  25 o 31.530  1.2310 -1.039000      2.462000  
1 1 1 3  3  26 o 106.000 0.7924 0.2726000      1.585000  
1 1 1 3  3  27 o 40.250  1.0200 0.9518000E-01  2.040000  
1 1 1 3  3  28 o 62.720  0.8091 0.9660000      1.618000  
1 1 1 3  3  29 o 49.500  0.9195 -1.038000      1.839000  
1 1 1 3  3  30 o 13.020  2.8790 2.096000       5.758000  
1 1 1 3  3  31 o 9.5930  2.7780 -1.119000      5.555000  
1 1 1 3  3  32 o 10.430  2.8350 -3.458000      5.669000  
1 1 1 3  3  33 o 9.4100  2.7520 0.2978000      5.503000  
1 1 1 3  3  34 o 15.550  2.7010 -6.426000      5.403000  
1 1 1 3  3  35 o 12.030  2.7080 -8.532000      5.417000  
1 1 1 3  3  36 o 8.5870  2.6890 -2.020000      5.378000  
1 1 1 3  3  37 o 15.180  3.1150 -2.000000      6.230000  
1 1 1 3  4  0  o 28.920  0.5529 -0.000000      0.000000  
1 1 1 3  4  1  o 171.300 1.5440 2.717000       3.087000  
1 1 1 3  4  2  o 93.720  0.7207 -1.533000      1.441000  
1 1 1 3  4  3  o 163.800 1.4820 1.007000       2.965000  
1 1 1 3  4  4  o 137.500 1.0200 0.8084000      2.040000  
1 1 1 3  4  5  o 216.800 1.9430 -2.141000      3.885000  
1 1 1 3  4  6  o 114.500 0.7455 -1.933000      1.491000  
1 1 1 3  4  7  o 99.030  0.6772 1.774000       1.354000  
1 1 1 3  4  8  o 32.880  0.4940 -0.5946000     0.9880000 
1 1 1 3  4  9  o 23.710  0.6516 1.161000       1.303000  
1 1 1 3  4  10 o 99.720  0.6704 -0.2326000     1.341000  
1 1 1 3  4  11 o 35.970  0.5994 2.220000       1.199000  
1 1 1 3  4  12 o 34.950  0.5896 -1.298000      1.179000  
1 1 1 3  4  13 o 52.050  0.5503 -1.629000      1.101000  
1 1 1 3  4  14 o 89.430  0.6460 0.1596000      1.292000  
1 1 1 3  4  15 f 153.700 0.9944 -0.4995000     1.989000  
1 1 1 3  4  16 o 46.670  0.6261 0.6055000      1.252000  
1 1 1 3  4  17 o 12.990  2.0100 4.522000       4.020000  
1 1 1 3  4  18 o 11.170  2.1170 -6.039000      4.234000  
1 1 1 3  4  19 o 19.800  1.4760 3.670000       2.952000  
1 1 1 3  4  20 o 74.140  0.6483 1.809000       1.297000  
1 1 1 3  4  21 o 39.590  0.8654 -0.8085000     1.731000  
1 1 1 3  4  22 o 61.190  0.7023 1.612000       1.405000  
1 1 1 3  4  23 o 20.490  1.7680 -0.5255000     3.535000  
1 1 1 3  4  24 o 44.630  0.8857 1.994000       1.771000  
1 1 1 3  4  25 o 49.410  0.8479 -1.358000      1.696000  
1 1 1 3  4  26 o 41.750  1.0130 3.011000       2.026000  
1 1 1 3  4  27 o 47.120  0.9287 -0.3879000     1.857000  
1 1 1 3  4  28 o 22.310  1.9200 -5.482000      3.840000  
1 1 1 3  4  29 f 26.780  1.6140 -4.755000      3.229000  
1 1 1 3  4  30 o 9.9090  2.5560 -6.415000      5.113000  
1 1 1 3  4  31 o 30.540  1.4520 -2.133000      2.905000  
1 1 1 3  4  32 o 28.920  1.5500 -2.580000      3.101000  
1 1 1 3  4  33 o 34.140  1.3990 2.104000       2.798000  
1 1 1 3  4  34 o 8.8910  2.7540 -1.375000      5.508000  
1 1 1 3  4  35 o 11.360  2.9350 5.323000       5.871000  
1 1 1 3  4  36 o 9.2280  2.8390 -0.1554000     5.679000  
1 1 1 3  4  37 o 8.1700  2.6300 3.054000       5.260000  
1 1 1 3  5  0  o 76.090  0.7564 -0.000000      0.000000  
1 1 1 3  5  1  o 161.100 1.1140 -2.548000      2.227000  
1 1 1 3  5  2  o 61.300  0.4920 -0.6850000     0.9840000 
1 1 1 3  5  3  o 65.070  0.4805 -0.2449000     0.9611000 
1 1 1 3  5  4  o 60.070  0.4694 -0.1918000     0.9387000 
1 1 1 3  5  5  o 19.800  0.7799 -0.9070000     1.560000  
1 1 1 3  5  6  o 191.200 1.2120 0.1080000      2.424000  
1 1 1 3  5  7  o 98.110  0.6636 -0.1064000     1.327000  
1 1 1 3  5  8  o 125.400 0.8402 -1.610000      1.680000  
1 1 1 3  5  9  o 149.300 0.9856 -4.234000      1.971000  
1 1 1 3  5  10 o 138.300 0.9622 -0.5365000     1.924000  
1 1 1 3  5  11 o 96.950  0.7099 0.7202000      1.420000  
1 1 1 3  5  12 o 9.7620  1.8980 3.388000       3.795000  
1 1 1 3  5  13 o 68.320  0.6028 -1.351000      1.206000  
1 1 1 3  5  14 f 10.210  1.9980 -5.854000      3.996000  
1 1 1 3  5  15 o 29.080  0.8941 -0.4065000     1.788000  
1 1 1 3  5  16 o 105.800 0.7872 -1.074000      1.574000  
1 1 1 3  5  17 f 55.190  0.6309 1.236000       1.262000  
1 1 1 3  5  18 o 76.660  0.6524 0.3769000      1.305000  
1 1 1 3  5  19 o 10.840  2.3880 0.6856000      4.776000  
1 1 1 3  5  20 o 24.260  1.3280 -1.373000      2.656000  
1 1 1 3  5  21 o 82.010  0.7728 -1.452000      1.546000  
1 1 1 3  5  22 o 67.520  0.7609 -0.6161000     1.522000  
1 1 1 3  5  23 o 38.020  1.1040 0.1697000      2.207000  
1 1 1 3  5  24 o 58.550  0.8409 1.312000       1.682000  
1 1 1 3  5  25 o 55.100  0.8860 1.476000       1.772000  
1 1 1 3  5  26 o 47.960  0.9962 -0.6124000     1.992000  
1 1 1 3  5  27 o 39.700  1.1060 -4.837000      2.212000  
1 1 1 3  5  28 o 46.910  0.9602 -0.7422000     1.920000  
1 1 1 3  5  29 o 21.920  1.9990 -2.027000      3.997000  
1 1 1 3  5  30 o 40.850  1.0850 1.279000       2.171000  
1 1 1 3  5  31 o 26.530  1.7360 -4.037000      3.473000  
1 1 1 3  5  32 f 7.4830  2.4530 2.830000       4.906000  
1 1 1 3  5  33 o 14.530  2.7150 -7.404000      5.429000  
1 1 1 3  5  34 o 12.900  3.0220 -2.355000      6.043000  
1 1 1 3  5  35 o 11.790  3.0300 0.1070000      6.061000  
1 1 1 3  5  36 o 15.060  2.9330 -2.350000      5.866000  
1 1 1 3  5  37 o 9.4710  2.8900 0.2888000      5.779000  
1 1 1 3  6  0  o 80.010  1.1380 -0.000000      0.000000  
1 1 1 3  6  1  o 71.520  0.6080 -0.3139000E-01 1.216000  
1 1 1 3  6  2  o 117.700 0.9376 0.9153000      1.875000  
1 1 1 3  6  3  o 13.960  0.9423 0.4825000      1.885000  
1 1 1 3  6  4  o 42.700  0.4881 -0.2039000     0.9763000 
1 1 1 3  6  5  o 80.670  0.6236 -0.7903000     1.247000  
1 1 1 3  6  6  o 88.400  0.7613 2.644000       1.523000  
1 1 1 3  6  7  o 68.770  0.6290 0.7851000      1.258000  
1 1 1 3  6  8  o 16.100  1.0670 -0.7613000     2.133000  
1 1 1 3  6  9  o 46.070  0.5336 0.4709000      1.067000  
1 1 1 3  6  10 o 55.610  0.5589 -0.1940000     1.118000  
1 1 1 3  6  11 f 143.500 1.0050 2.536000       2.011000  
1 1 1 3  6  12 o 62.530  0.7027 -1.974000      1.405000  
1 1 1 3  6  13 o 56.460  0.5876 1.659000       1.175000  
1 1 1 3  6  14 o 27.940  0.9153 -1.282000      1.831000  
1 1 1 3  6  15 o 30.620  0.8384 -0.7028000     1.677000  
1 1 1 3  6  16 o 55.730  0.6281 0.5352000      1.256000  
1 1 1 3  6  17 o 8.3450  2.2070 -3.689000      4.414000  
1 1 1 3  6  18 o 39.020  0.8374 -0.9856000     1.675000  
1 1 1 3  6  19 o 34.030  0.9778 0.1026000      1.956000  
1 1 1 3  6  20 o 37.180  0.8953 -0.1626000     1.791000  
1 1 1 3  6  21 o 26.930  1.2570 0.2011000      2.514000  
1 1 1 3  6  22 o 34.550  1.1820 -4.329000      2.363000  
1 1 1 3  6  23 o 13.040  2.2890 -9.283000      4.578000  
1 1 1 3  6  24 o 45.240  0.8995 -0.4813000     1.799000  
1 1 1 3  6  25 o 29.160  1.3980 0.2294000      2.796000  
1 1 1 3  6  26 o 47.300  0.9668 -0.5768000     1.934000  
1 1 1 3  6  27 o 47.580  0.9489 -0.5344000     1.898000  
1 1 1 3  6  28 o 43.730  1.0170 -0.7278000     2.034000  
1 1 1 3  6  29 o 18.060  2.4170 -1.506000      4.833000  
1 1 1 3  6  30 o 9.1110  2.7230 -0.1372000     5.447000  
1 1 1 3  6  31 o 6.0280  2.0920 1.524000       4.184000  
1 1 1 3  6  32 o 45.530  1.0950 -3.021000      2.190000  
1 1 1 3  6  33 o 24.440  1.8970 -4.197000      3.794000  
1 1 1 3  6  34 o 9.3180  2.7680 0.9994000      5.535000  
1 1 1 3  6  35 o 10.400  2.8840 -2.683000      5.768000  
1 1 1 3  6  36 o 8.7120  2.7190 1.813000       5.438000  
1 1 1 3  7  0  o 88.180  0.8790 -0.000000      0.000000  
1 1 1 3  7  1  o 157.100 1.0100 -2.013000      2.020000  
1 1 1 3  7  2  f 23.880  0.7707 -0.4854000     1.541000  
1 1 1 3  7  3  o 80.840  0.6211 0.3268000E-01  1.242000  
1 1 1 3  7  4  o 17.730  0.9882 2.640000       1.976000  
1 1 1 3  7  5  o 92.020  0.6479 1.318000       1.296000  
1 1 1 3  7  6  o 123.700 0.8173 2.146000       1.635000  
1 1 1 3  7  7  o 56.880  0.5427 -2.693000      1.085000  
1 1 1 3  7  8  o 54.650  0.5615 0.4551000      1.123000  
1 1 1 3  7  9  f 42.460  0.5940 -0.9058000     1.188000  
1 1 1 3  7  10 o 78.960  0.6501 0.6023000E-01  1.300000  
1 1 1 3  7  11 o 41.030  0.6392 -0.7501000     1.278000  
1 1 1 3  7  12 o 78.100  0.6393 3.905000       1.279000  
1 1 1 3  7  13 o 79.380  0.6345 -1.556000      1.269000  
1 1 1 3  7  14 o 63.850  0.6009 0.4215000E-01  1.202000  
1 1 1 3  7  15 o 23.320  1.1200 -1.152000      2.240000  
1 1 1 3  7  16 o 10.280  2.3540 -0.6745000     4.708000  
1 1 1 3  7  17 o 13.770  2.1640 2.362000       4.329000  
1 1 1 3  7  18 o 79.300  0.6833 -1.797000      1.367000  
1 1 1 3  7  19 o 65.010  0.7895 -2.402000      1.579000  
1 1 1 3  7  20 o 95.140  0.8155 2.097000       1.631000  
1 1 1 3  7  21 o 65.710  0.7868 -1.946000      1.574000  
1 1 1 3  7  22 o 13.630  2.4720 -11.53000      4.944000  
1 1 1 3  7  23 o 29.500  1.5270 -5.919000      3.053000  
1 1 1 3  7  24 o 26.690  1.6330 0.9659000      3.266000  
1 1 1 3  7  25 o 22.660  2.2610 12.15000       4.521000  
1 1 1 3  7  26 o 38.490  1.1500 -1.581000      2.300000  
1 1 1 3  7  27 o 31.720  1.3510 0.7422000E-01  2.701000  
1 1 1 3  7  28 o 16.320  2.6930 -0.2324000     5.385000  
1 1 1 3  7  29 o 22.450  2.1170 4.485000       4.233000  
1 1 1 3  7  30 o 24.570  1.9660 5.607000       3.932000  
1 1 1 3  7  31 o 18.010  2.7390 -1.462000      5.478000  
1 1 1 3  7  32 o 38.950  1.3490 1.351000       2.697000  
1 1 1 3  7  33 o 9.2260  2.8430 0.8299000      5.686000  
1 1 1 3  7  34 o 11.490  3.0420 4.629000       6.084000  
1 1 1 3  7  35 o 11.350  2.9180 -5.539000      5.835000  
1 1 1 3  7  36 o 17.580  2.7740 -8.143000      5.547000  
1 1 1 3  8  0  o 27.980  1.0440 -0.000000      0.000000  
1 1 1 3  8  1  o 48.860  0.5540 -1.946000      1.108000  
1 1 1 3  8  2  o 117.400 0.7890 -1.154000      1.578000  
1 1 1 3  8  3  o 51.550  0.5910 -3.868000      1.182000  
1 1 1 3  8  4  o 71.360  0.6491 -0.1317000     1.298000  
1 1 1 3  8  5  o 69.590  0.6184 0.5447000      1.237000  
1 1 1 3  8  6  o 65.970  0.7211 -1.590000      1.442000  
1 1 1 3  8  7  o 27.910  0.8206 1.536000       1.641000  
1 1 1 3  8  8  o 69.080  0.6121 0.5393000      1.224000  
1 1 1 3  8  9  o 22.290  1.0900 2.530000       2.180000  
1 1 1 3  8  10 o 24.030  1.0330 -3.298000      2.067000  
1 1 1 3  8  11 o 44.020  0.6727 0.6211000      1.345000  
1 1 1 3  8  12 o 17.580  1.5190 -2.588000      3.039000  
1 1 1 3  8  13 f 36.500  0.8092 1.166000       1.618000  
1 1 1 3  8  14 o 109.300 0.7719 -3.280000      1.544000  
1 1 1 3  8  15 o 23.780  1.1760 2.829000       2.352000  
1 1 1 3  8  16 o 88.200  0.7018 -0.5920000     1.404000  
1 1 1 3  8  17 o 28.270  1.1650 2.875000       2.330000  
1 1 1 3  8  18 o 9.8050  2.2850 -5.843000      4.571000  
1 1 1 3  8  19 o 22.910  1.6150 -5.213000      3.230000  
1 1 1 3  8  20 o 119.100 0.8535 -1.210000      1.707000  
1 1 1 3  8  21 o 73.540  0.7536 -0.1011000     1.507000  
1 1 1 3  8  22 o 107.700 0.8174 2.233000       1.635000  
1 1 1 3  8  23 o 60.200  0.8298 0.7345000      1.660000  
1 1 1 3  8  24 o 90.320  0.7787 0.6986000      1.557000  
1 1 1 3  8  25 o 36.150  1.1790 2.334000       2.358000  
1 1 1 3  8  26 o 17.640  2.4560 -2.692000      4.911000  
1 1 1 3  8  27 o 67.130  0.8222 0.5858000      1.644000  
1 1 1 3  8  28 o 53.300  0.9027 -2.311000      1.805000  
1 1 1 3  8  29 o 38.840  1.1730 -1.389000      2.347000  
1 1 1 3  8  30 o 28.820  1.5580 3.875000       3.117000  
1 1 1 3  8  31 o 8.6180  2.6770 -2.153000      5.355000  
1 1 1 3  8  32 o 11.440  2.9780 1.709000       5.956000  
1 1 1 3  8  33 o 26.430  1.8170 4.250000       3.635000  
1 1 1 3  8  34 o 14.430  3.0570 -2.704000      6.115000  
1 1 1 3  8  35 o 8.5570  2.7160 -0.8129000     5.433000  
1 1 1 3  9  0  o 38.500  0.9807 -0.000000      0.000000  
1 1 1 3  9  1  o 77.200  0.6244 1.688000       1.249000  
1 1 1 3  9  2  o 66.190  0.6087 0.1499000      1.217000  
1 1 1 3  9  3  o 55.550  0.6703 0.2687000      1.341000  
1 1 1 3  9  4  o 44.480  0.6835 -0.4191000     1.367000  
1 1 1 3  9  5  o 46.260  0.7062 1.239000       1.412000  
1 1 1 3  9  6  o 87.820  0.7127 0.7978000      1.425000  
1 1 1 3  9  7  o 41.040  0.7033 1.541000       1.407000  
1 1 1 3  9  8  o 76.500  0.6529 -0.8255000     1.306000  
1 1 1 3  9  9  o 68.910  0.6457 -2.001000      1.291000  
1 1 1 3  9  10 o 37.660  0.7966 0.3006000      1.593000  
1 1 1 3  9  11 o 38.090  0.7956 0.7957000E-02  1.591000  
1 1 1 3  9  12 o 66.900  0.6768 -1.357000      1.354000  
1 1 1 3  9  13 o 70.740  0.6899 -3.889000      1.380000  
1 1 1 3  9  14 o 90.830  0.7412 -0.1442000     1.482000  
1 1 1 3  9  15 o 58.280  0.7476 -0.9939000     1.495000  
1 1 1 3  9  16 o 28.450  1.1610 1.721000       2.321000  
1 1 1 3  9  17 o 62.200  0.7089 -1.094000      1.418000  
1 1 1 3  9  18 o 115.100 0.8356 -1.929000      1.671000  
1 1 1 3  9  19 o 25.350  1.4580 -2.687000      2.916000  
1 1 1 3  9  20 o 39.000  1.0250 -0.7350000     2.051000  
1 1 1 3  9  21 o 42.090  1.0120 -0.6643000     2.024000  
1 1 1 3  9  22 o 33.860  1.2180 0.6142000      2.435000  
1 1 1 3  9  23 o 34.540  1.2880 -3.615000      2.575000  
1 1 1 3  9  24 o 22.590  1.9260 3.651000       3.853000  
1 1 1 3  9  25 o 33.740  1.3510 2.619000       2.702000  
1 1 1 3  9  26 o 35.680  1.2680 -1.250000      2.536000  
1 1 1 3  9  27 o 36.440  1.2600 1.707000       2.520000  
1 1 1 3  9  28 o 36.970  1.2930 -3.572000      2.587000  
1 1 1 3  9  29 o 27.910  1.6160 2.406000       3.232000  
1 1 1 3  9  30 o 17.190  2.6040 -7.514000      5.208000  
1 1 1 3  9  31 o 8.9750  2.7540 2.274000       5.509000  
1 1 1 3  9  32 o 35.730  1.3330 -1.409000      2.667000  
1 1 1 3  9  33 f 20.070  2.4910 -2.212000      4.982000  
1 1 1 3  9  34 o 10.560  2.9340 -2.819000      5.869000  
1 1 1 3  10 0  o 72.510  0.9177 -0.000000      0.000000  
1 1 1 3  10 1  o 61.640  0.6553 -0.5282000     1.311000  
1 1 1 3  10 2  o 112.600 0.7937 -1.358000      1.587000  
1 1 1 3  10 3  o 37.800  0.8206 -0.2955000     1.641000  
1 1 1 3  10 4  o 31.130  0.9607 -0.3834000     1.921000  
1 1 1 3  10 5  o 39.370  0.8289 -4.146000      1.658000  
1 1 1 3  10 6  o 56.690  0.7256 0.3327000      1.451000  
1 1 1 3  10 7  o 107.600 0.8257 0.4941000      1.651000  
1 1 1 3  10 8  o 69.390  0.6712 -1.124000      1.342000  
1 1 1 3  10 9  o 56.960  0.7000 2.883000       1.400000  
1 1 1 3  10 10 o 96.020  0.7478 0.9620000      1.496000  
1 1 1 3  10 11 o 56.970  0.6989 -1.700000      1.398000  
1 1 1 3  10 12 o 35.320  0.9369 0.5343000      1.874000  
1 1 1 3  10 13 o 42.010  0.8712 1.162000       1.742000  
1 1 1 3  10 14 o 19.280  1.8400 5.327000       3.681000  
1 1 1 3  10 15 o 136.200 0.9650 -1.225000      1.930000  
1 1 1 3  10 16 o 62.440  0.7801 -0.9750000     1.560000  
1 1 1 3  10 17 o 21.180  1.7150 2.154000       3.430000  
1 1 1 3  10 18 o 52.580  0.8357 -3.545000      1.671000  
1 1 1 3  10 19 o 40.300  1.0310 -3.154000      2.063000  
1 1 1 3  10 20 o 50.890  0.8929 -0.5599000     1.786000  
1 1 1 3  10 21 o 16.420  2.5660 -0.6494000     5.132000  
1 1 1 3  10 22 o 39.860  1.1340 0.5422000      2.268000  
1 1 1 3  10 23 o 57.240  0.8787 0.1671000      1.757000  
1 1 1 3  10 24 o 19.620  2.1710 2.552000       4.341000  
1 1 1 3  10 25 o 8.5940  2.6670 -0.4645000E-01 5.334000  
1 1 1 3  10 26 o 8.8120  2.7200 2.764000       5.440000  
1 1 1 3  10 27 o 11.470  2.9150 -4.141000      5.830000  
1 1 1 3  10 28 o 33.330  1.4230 0.9820000E-01  2.845000  
1 1 1 3  10 29 o 13.970  2.9620 -1.650000      5.924000  
1 1 1 3  10 30 o 10.740  2.9200 -3.532000      5.841000  
1 1 1 3  10 31 o 9.9890  2.8560 -3.744000      5.712000  
1 1 1 3  10 32 o 16.620  2.7720 -6.900000      5.544000  
1 1 1 3  10 33 o 9.5070  2.8720 1.967000       5.743000  
1 1 1 3  10 34 x ?       ?      ?              ?         
1 1 1 3  11 0  o 45.220  1.1210 -0.000000      0.000000  
1 1 1 3  11 1  o 56.260  0.7325 -3.014000      1.465000  
1 1 1 3  11 2  o 78.640  0.7033 -0.6274000     1.407000  
1 1 1 3  11 3  o 84.050  0.7166 -1.458000      1.433000  
1 1 1 3  11 4  o 91.370  0.7456 -1.861000      1.491000  
1 1 1 3  11 5  o 89.660  0.7585 -1.032000      1.517000  
1 1 1 3  11 6  o 46.400  0.8613 -0.3233000     1.723000  
1 1 1 3  11 7  o 30.360  1.2630 3.659000       2.525000  
1 1 1 3  11 8  o 30.150  1.2050 -0.6500000     2.410000  
1 1 1 3  11 9  o 27.930  1.3720 -0.6144000     2.743000  
1 1 1 3  11 10 f 37.100  0.9718 1.072000       1.944000  
1 1 1 3  11 11 o 61.300  0.7843 0.5515000      1.569000  
1 1 1 3  11 12 o 47.130  0.8375 -0.5221000     1.675000  
1 1 1 3  11 13 o 85.530  0.7644 -1.167000      1.529000  
1 1 1 3  11 14 o 77.240  0.7760 0.5718000      1.552000  
1 1 1 3  11 15 o 85.950  0.7835 0.9155000E-01  1.567000  
1 1 1 3  11 16 o 19.460  2.1570 -2.214000      4.313000  
1 1 1 3  11 17 o 70.110  0.8120 -0.2500000     1.624000  
1 1 1 3  11 18 o 63.320  0.8633 -1.044000      1.727000  
1 1 1 3  11 19 o 54.580  0.9032 0.6115000      1.806000  
1 1 1 3  11 20 o 67.660  0.8261 1.353000       1.652000  
1 1 1 3  11 21 o 24.720  1.7150 -2.416000      3.430000  
1 1 1 3  11 22 o 18.730  2.2940 -4.216000      4.588000  
1 1 1 3  11 23 o 16.850  2.5460 -1.185000      5.091000  
1 1 1 3  11 24 o 33.040  1.3600 -0.2787000     2.719000  
1 1 1 3  11 25 o 74.410  0.8361 -3.815000      1.672000  
1 1 1 3  11 26 o 17.500  2.5790 -2.369000      5.158000  
1 1 1 3  11 27 o 18.100  2.7340 -2.487000      5.468000  
1 1 1 3  11 28 o 21.070  2.3860 -5.000000      4.772000  
1 1 1 3  11 29 o 8.7270  2.7240 -0.8823000     5.447000  
1 1 1 3  11 30 f 14.040  3.1630 -0.6795000     6.326000  
1 1 1 3  11 31 o 13.820  2.8120 -8.624000      5.625000  
1 1 1 3  11 32 o 7.5260  2.4980 -0.9550000     4.995000  
1 1 1 3  11 33 o 9.1470  4.5930 ?              ?         
1 1 1 3  12 0  o 10.430  4.6200 -0.000000      0.000000  
1 1 1 3  12 1  o 31.000  1.1980 -1.065000      2.395000  
1 1 1 3  12 2  o 69.060  0.7331 -2.491000      1.466000  
1 1 1 3  12 3  o 50.190  0.8228 -0.2204000     1.646000  
1 1 1 3  12 4  o 70.880  0.7384 0.6451000      1.477000  
1 1 1 3  12 5  o 47.200  0.8855 0.3157000E-01  1.771000  
1 1 1 3  12 6  o 42.080  0.9619 -0.9348000     1.924000  
1 1 1 3  12 7  o 24.700  1.5430 -1.109000      3.085000  
1 1 1 3  12 8  o 60.780  0.8265 -0.4565000     1.653000  
1 1 1 3  12 9  o 42.670  1.0290 -1.215000      2.058000  
1 1 1 3  12 10 o 32.560  1.2970 -3.074000      2.595000  
1 1 1 3  12 11 o 53.460  0.8194 1.610000       1.639000  
1 1 1 3  12 12 o 57.870  0.8282 1.502000       1.656000  
1 1 1 3  12 13 o 55.810  1.1120 3.645000       2.225000  
1 1 1 3  12 14 f 66.830  0.8106 -1.095000      1.621000  
1 1 1 3  12 15 o 49.970  0.9326 1.159000       1.865000  
1 1 1 3  12 16 o 72.690  0.8282 0.5136000      1.656000  
1 1 1 3  12 17 o 77.700  0.8442 -1.378000      1.688000  
1 1 1 3  12 18 o 52.590  0.9989 1.185000       1.998000  
1 1 1 3  12 19 o 35.360  1.3930 -5.126000      2.786000  
1 1 1 3  12 20 o 11.590  2.8780 -2.682000      5.756000  
1 1 1 3  12 21 o 28.600  1.7440 3.512000       3.489000  
1 1 1 3  12 22 o 12.000  2.9640 -2.617000      5.928000  
1 1 1 3  12 23 o 32.980  1.3470 -0.6587000     2.694000  
1 1 1 3  12 24 o 33.330  1.3630 0.2151000E-01  2.725000  
1 1 1 3  12 25 o 19.900  2.3890 6.764000       4.778000  
1 1 1 3  12 26 o 9.5180  2.8330 0.4133000      5.665000  
1 1 1 3  12 27 o 11.240  2.8580 7.032000       5.715000  
1 1 1 3  12 28 o 12.590  3.1200 1.429000       6.240000  
1 1 1 3  12 29 o 27.230  1.8260 3.101000       3.651000  
1 1 1 3  12 30 o 21.670  2.3380 3.746000       4.675000  
1 1 1 3  12 31 o 20.680  2.4880 1.649000       4.975000  
1 1 1 3  12 32 x ?       ?      ?              ?         
1 1 1 3  13 0  o 75.160  1.0640 -0.000000      0.000000  
1 1 1 3  13 1  o 68.140  0.8307 -0.9453000     1.661000  
1 1 1 3  13 2  o 102.700 0.8105 -3.011000      1.621000  
1 1 1 3  13 3  o 63.870  0.8963 0.3974000      1.793000  
1 1 1 3  13 4  o 90.520  0.7844 -0.8946000     1.569000  
1 1 1 3  13 5  o 16.230  2.5390 1.308000       5.079000  
1 1 1 3  13 6  o 92.630  0.8254 -2.149000      1.651000  
1 1 1 3  13 7  o 64.640  0.8577 -0.1055000     1.715000  
1 1 1 3  13 8  o 65.620  0.8736 2.706000       1.747000  
1 1 1 3  13 9  f 91.560  0.9105 -0.4572000     1.821000  
1 1 1 3  13 10 o 88.730  0.8688 -0.5887000     1.738000  
1 1 1 3  13 11 o 73.020  0.8825 0.3249000      1.765000  
1 1 1 3  13 12 o 11.680  3.0230 -0.6489000     6.046000  
1 1 1 3  13 13 o 52.580  0.9298 2.602000       1.860000  
1 1 1 3  13 14 o 29.420  1.4940 4.750000       2.988000  
1 1 1 3  13 15 o 47.640  0.9992 0.7111000      1.998000  
1 1 1 3  13 16 o 8.3470  2.6210 -0.4645000     5.241000  
1 1 1 3  13 17 o 73.690  0.8533 1.274000       1.707000  
1 1 1 3  13 18 o 16.830  2.8540 2.116000       5.708000  
1 1 1 3  13 19 o 45.230  1.1360 -0.5775000     2.273000  
1 1 1 3  13 20 f 30.850  1.6160 3.365000       3.233000  
1 1 1 3  13 21 o 48.520  1.1210 -0.3721000     2.242000  
1 1 1 3  13 22 o 19.640  2.4210 -3.476000      4.842000  
1 1 1 3  13 23 f 43.410  1.1570 2.716000       2.313000  
1 1 1 3  13 24 o 16.270  2.9120 1.624000       5.824000  
1 1 1 3  13 25 o 9.6640  2.8270 -1.881000      5.653000  
1 1 1 3  13 26 o 16.590  2.9240 -1.834000      5.849000  
1 1 1 3  13 27 o 58.910  0.9716 2.443000       1.943000  
1 1 1 3  13 28 f 12.340  3.1340 -2.197000      6.268000  
1 1 1 3  13 29 o 13.650  2.9540 6.925000       5.909000  
1 1 1 3  13 30 o 10.030  2.9350 0.2858000      5.870000  
1 1 1 3  14 0  o 152.400 1.4820 -0.000000      0.000000  
1 1 1 3  14 1  o 46.570  1.3140 15.08000       2.628000  
1 1 1 3  14 2  o 42.620  1.0960 -0.1128000     2.192000  
1 1 1 3  14 3  f 78.180  0.8184 -2.084000      1.637000  
1 1 1 3  14 4  o 52.500  0.9643 -1.392000      1.929000  
1 1 1 3  14 5  o 74.160  0.8412 -0.1276000     1.682000  
1 1 1 3  14 6  o 68.120  0.8662 -3.462000      1.732000  
1 1 1 3  14 7  o 11.790  2.9510 -0.3170000E-01 5.901000  
1 1 1 3  14 8  o 23.950  2.0110 -0.2003000E-01 4.022000  
1 1 1 3  14 9  o 33.890  1.4640 -2.461000      2.928000  
1 1 1 3  14 10 o 39.020  1.3310 -3.088000      2.662000  
1 1 1 3  14 11 o 33.190  1.6250 2.878000       3.250000  
1 1 1 3  14 12 o 58.570  1.0320 1.488000       2.063000  
1 1 1 3  14 13 o 77.890  0.8572 0.3158000      1.714000  
1 1 1 3  14 14 o 22.360  2.1300 2.858000       4.260000  
1 1 1 3  14 15 o 13.780  3.0620 1.972000       6.124000  
1 1 1 3  14 16 o 57.810  0.9601 -1.121000      1.920000  
1 1 1 3  14 17 o 31.340  1.5980 -2.885000      3.196000  
1 1 1 3  14 18 o 21.110  2.3830 -1.549000      4.767000  
1 1 1 3  14 19 o 24.680  2.0890 -4.464000      4.179000  
1 1 1 3  14 20 o 20.470  2.5400 -7.577000      5.080000  
1 1 1 3  14 21 o 22.670  2.3720 -4.546000      4.745000  
1 1 1 3  14 22 o 25.920  2.1020 -4.637000      4.204000  
1 1 1 3  14 23 o 23.470  2.2970 3.942000       4.594000  
1 1 1 3  14 24 o 9.2970  2.7650 -2.630000      5.530000  
1 1 1 3  14 25 o 25.880  1.9290 2.533000       3.859000  
1 1 1 3  14 26 o 27.730  1.7620 0.3996000E-01  3.525000  
1 1 1 3  14 27 o 23.370  2.1670 -6.002000      4.335000  
1 1 1 3  14 28 o 15.200  2.9460 -2.050000      5.892000  
1 1 1 3  14 29 o 10.250  2.8950 -4.222000      5.790000  
1 1 1 3  15 0  o 56.440  1.3390 -0.000000      0.000000  
1 1 1 3  15 1  o 63.940  0.9683 -0.5784000     1.937000  
1 1 1 3  15 2  o 92.410  0.8559 0.9287000      1.712000  
1 1 1 3  15 3  o 30.230  1.6400 5.522000       3.279000  
1 1 1 3  15 4  o 30.890  1.5990 1.744000       3.198000  
1 1 1 3  15 5  o 60.210  0.9640 -1.912000      1.928000  
1 1 1 3  15 6  o 45.410  1.2910 0.9261000      2.583000  
1 1 1 3  15 7  o 39.990  1.3000 -3.621000      2.599000  
1 1 1 3  15 8  o 71.350  0.9344 -2.751000      1.869000  
1 1 1 3  15 9  o 32.780  1.7120 3.672000       3.423000  
1 1 1 3  15 10 o 21.240  2.5990 0.2561000      5.198000  
1 1 1 3  15 11 o 26.120  2.1320 3.041000       4.263000  
1 1 1 3  15 12 o 34.970  1.6540 -2.999000      3.308000  
1 1 1 3  15 13 f 31.730  1.9190 -0.6593000     3.838000  
1 1 1 3  15 14 o 36.700  1.4540 -1.317000      2.908000  
1 1 1 3  15 15 o 23.520  2.3920 4.550000       4.784000  
1 1 1 3  15 16 o 87.850  0.8917 0.5114000      1.783000  
1 1 1 3  15 17 o 20.490  2.5600 -7.206000      5.120000  
1 1 1 3  15 18 f 41.500  1.2670 0.6447000      2.534000  
1 1 1 3  15 19 o 11.930  3.1290 -1.837000      6.259000  
1 1 1 3  15 20 o 43.100  1.2680 2.553000       2.537000  
1 1 1 3  15 21 f 12.980  3.0230 -4.746000      6.046000  
1 1 1 3  15 22 o 28.570  1.9240 8.010000       3.849000  
1 1 1 3  15 23 o 10.270  2.9850 2.989000       5.971000  
1 1 1 3  15 24 o 19.210  2.7090 -5.613000      5.417000  
1 1 1 3  15 25 o 8.8960  2.7850 -2.500000      5.569000  
1 1 1 3  15 26 o 10.170  2.8780 -3.217000      5.756000  
1 1 1 3  15 27 o 8.5450  2.6840 -2.068000      5.368000  
1 1 1 3  16 0  o 61.310  1.3840 -0.000000      0.000000  
1 1 1 3  16 1  o 32.410  1.6160 6.266000       3.232000  
1 1 1 3  16 2  o 50.270  1.0980 -0.9535000     2.195000  
1 1 1 3  16 3  o 30.240  1.9780 -4.493000      3.955000  
1 1 1 3  16 4  o 62.770  0.9833 1.665000       1.967000  
1 1 1 3  16 5  o 33.810  1.5930 1.174000       3.186000  
1 1 1 3  16 6  o 66.200  0.9923 -1.326000      1.985000  
1 1 1 3  16 7  o 51.920  1.1610 -0.1459000     2.322000  
1 1 1 3  16 8  o 67.020  1.0020 0.4388000      2.003000  
1 1 1 3  16 9  o 19.080  2.9170 7.707000       5.834000  
1 1 1 3  16 10 o 26.250  2.4510 7.344000       4.901000  
1 1 1 3  16 11 o 78.750  1.0060 1.392000       2.012000  
1 1 1 3  16 12 o 32.280  1.8810 1.466000       3.761000  
1 1 1 3  16 13 o 19.910  3.0180 -0.4018000     6.035000  
1 1 1 3  16 14 o 19.810  2.7250 -3.692000      5.450000  
1 1 1 3  16 15 f 12.010  3.1440 2.699000       6.288000  
1 1 1 3  16 16 o 8.7260  2.8030 -0.9213000     5.606000  
1 1 1 3  16 17 o 9.6720  2.9560 -2.614000      5.913000  
1 1 1 3  16 18 o 28.810  1.8410 -2.480000      3.681000  
1 1 1 3  16 19 o 22.240  2.3080 -3.976000      4.616000  
1 1 1 3  16 20 o 29.760  1.8120 -0.1394000     3.624000  
1 1 1 3  16 21 o 21.470  2.5220 5.517000       5.043000  
1 1 1 3  16 22 o 14.710  3.1460 2.551000       6.292000  
1 1 1 3  16 23 f 9.0150  2.8290 3.226000       5.659000  
1 1 1 3  16 24 o 17.990  2.8920 -5.163000      5.784000  
1 1 1 3  16 25 f 9.1700  2.7430 -3.748000      5.486000  
1 1 1 3  16 26 o 8.1530  4.1550 ?              ?         
1 1 1 3  17 0  o 23.840  3.3260 -0.000000      0.000000  
1 1 1 3  17 1  o 30.640  1.9190 -1.466000      3.838000  
1 1 1 3  17 2  f 69.380  0.9657 -0.1336000     1.931000  
1 1 1 3  17 3  o 78.840  0.9292 0.5832000      1.858000  
1 1 1 3  17 4  o 79.020  0.9317 1.679000       1.863000  
1 1 1 3  17 5  o 50.080  1.2270 1.311000       2.455000  
1 1 1 3  17 6  o 33.900  1.7480 1.964000       3.497000  
1 1 1 3  17 7  o 37.540  1.8000 2.179000       3.599000  
1 1 1 3  17 8  o 47.520  1.2940 0.4160000E-01  2.587000  
1 1 1 3  17 9  o 30.340  2.0010 5.126000       4.003000  
1 1 1 3  17 10 o 11.920  3.2650 -3.724000      6.531000  
1 1 1 3  17 11 o 25.000  2.6050 5.020000       5.210000  
1 1 1 3  17 12 o 14.010  3.4450 -1.109000      6.889000  
1 1 1 3  17 13 o 9.4360  3.0290 -1.870000      6.057000  
1 1 1 3  17 14 o 57.080  1.2400 -3.415000      2.479000  
1 1 1 3  17 15 o 36.710  1.5690 1.508000       3.139000  
1 1 1 3  17 16 o 22.870  2.4190 -2.861000      4.839000  
1 1 1 3  17 17 o 22.710  2.5190 -3.511000      5.039000  
1 1 1 3  17 18 o 10.640  3.0690 -1.915000      6.139000  
1 1 1 3  17 19 o 8.8350  2.8160 -0.8452000     5.632000  
1 1 1 3  17 20 f 21.270  2.5000 -1.148000      5.000000  
1 1 1 3  17 21 o 10.490  2.9570 -2.625000      5.914000  
1 1 1 3  17 22 o 27.160  1.9560 -2.995000      3.912000  
1 1 1 3  17 23 o 7.7930  2.5380 -1.889000      5.076000  
1 1 1 3  17 24 x ?       ?      ?              ?         
1 1 1 3  18 0  o 21.170  4.8220 -0.000000      0.000000  
1 1 1 3  18 1  o 57.130  1.1000 -0.7297000     2.200000  
1 1 1 3  18 2  o 40.480  1.4410 1.908000       2.882000  
1 1 1 3  18 3  o 22.330  2.6070 -2.536000      5.214000  
1 1 1 3  18 4  o 30.680  1.8870 -1.791000      3.775000  
1 1 1 3  18 5  o 25.370  2.2350 -0.9124000     4.469000  
1 1 1 3  18 6  o 8.4610  2.7520 -2.861000      5.503000  
1 1 1 3  18 7  o 21.520  2.8580 6.608000       5.717000  
1 1 1 3  18 8  o 30.620  1.9740 1.340000       3.947000  
1 1 1 3  18 9  o 30.170  2.1120 7.879000       4.224000  
1 1 1 3  18 10 o 23.710  2.6670 -1.142000      5.334000  
1 1 1 3  18 11 o 49.010  1.3430 -2.118000      2.687000  
1 1 1 3  18 12 o 17.040  3.1620 6.152000       6.324000  
1 1 1 3  18 13 o 37.840  1.6110 -1.852000      3.221000  
1 1 1 3  18 14 o 12.070  3.3480 -2.464000      6.695000  
1 1 1 3  18 15 o 15.000  3.1570 -4.185000      6.313000  
1 1 1 3  18 16 o 14.660  3.1380 3.616000       6.276000  
1 1 1 3  18 17 o 11.470  3.0780 2.693000       6.156000  
1 1 1 3  18 18 o 7.7750  2.5780 -0.5888000     5.156000  
1 1 1 3  18 19 o 10.590  2.8950 4.274000       5.789000  
1 1 1 3  18 20 o 18.510  2.6850 2.269000       5.369000  
1 1 1 3  18 21 o 9.6450  2.8780 3.275000       5.756000  
1 1 1 3  19 0  o 13.660  5.7870 -0.000000      0.000000  
1 1 1 3  19 1  o 13.520  3.3460 -2.806000      6.691000  
1 1 1 3  19 2  o 18.590  2.9480 -9.934000      5.896000  
1 1 1 3  19 3  o 40.130  1.5210 0.5444000E-01  3.042000  
1 1 1 3  19 4  o 20.200  2.8830 0.6310000      5.765000  
1 1 1 3  19 5  o 15.390  3.0330 -8.454000      6.066000  
1 1 1 3  19 6  o 10.090  2.9850 -3.776000      5.970000  
1 1 1 3  19 7  o 28.900  2.0100 -1.096000      4.020000  
1 1 1 3  19 8  o 21.030  2.7090 0.7561000      5.418000  
1 1 1 3  19 9  o 9.0780  2.8390 0.8593000      5.677000  
1 1 1 3  19 10 o 8.5080  2.7910 -2.038000      5.581000  
1 1 1 3  19 11 o 8.8690  2.8430 -1.980000      5.687000  
1 1 1 3  19 12 f 35.950  1.6470 2.123000       3.294000  
1 1 1 3  19 13 o 15.400  3.2870 -0.5065000     6.574000  
1 1 1 3  19 14 o 22.680  2.4020 -0.8076000     4.804000  
1 1 1 3  19 15 o 14.440  2.9940 1.333000       5.988000  
1 1 1 3  19 16 o 10.340  2.9110 -3.773000      5.823000  
1 1 1 3  19 17 o 7.6640  2.4950 -1.368000      4.990000  
1 1 1 3  19 18 o 10.120  2.8600 2.049000       5.721000  
1 1 1 3  20 0  o 5.6990  3.9270 -0.000000      0.000000  
1 1 1 3  20 1  o 11.450  3.0160 4.915000       6.031000  
1 1 1 3  20 2  o 11.930  3.0840 -4.667000      6.169000  
1 1 1 3  20 3  o 26.470  1.9820 1.213000       3.963000  
1 1 1 3  20 4  o 26.570  1.9590 0.5810000      3.918000  
1 1 1 3  20 5  o 13.740  3.0600 4.109000       6.121000  
1 1 1 3  20 6  o 15.370  3.0870 -1.980000      6.174000  
1 1 1 3  20 7  o 12.140  3.0650 3.383000       6.130000  
1 1 1 3  20 8  o 16.800  2.9300 10.02000       5.860000  
1 1 1 3  20 9  o 12.450  2.9810 4.334000       5.962000  
1 1 1 3  20 10 o 9.8610  2.9240 -0.2586000     5.848000  
1 1 1 3  20 11 o 20.520  2.6450 4.972000       5.290000  
1 1 1 3  20 12 o 10.850  2.9740 -5.205000      5.948000  
1 1 1 3  20 13 o 20.210  2.4860 0.2908000      4.973000  
1 1 1 3  20 14 o 8.8930  2.7220 -4.757000      5.444000  
1 1 1 3  20 15 o 13.900  3.5210 -1.978000      7.043000  
1 1 1 3  21 0  o 6.1290  4.0130 -0.000000      0.000000  
1 1 1 3  21 1  o 20.240  2.3000 1.734000       4.601000  
1 1 1 3  21 2  o 35.110  1.3590 -3.057000      2.718000  
1 1 1 3  21 3  o 18.070  2.5610 2.469000       5.121000  
1 1 1 3  21 4  o 11.760  2.8070 5.300000       5.613000  
1 1 1 3  21 5  o 8.2270  2.5550 -1.818000      5.109000  
1 1 1 3  21 6  o 10.680  2.6940 -4.879000      5.388000  
1 1 1 3  21 7  o 8.8660  2.6560 -0.1082000     5.311000  
1 1 1 3  21 8  o 7.5630  2.4790 -0.2639000     4.958000  
1 1 1 3  21 9  f 25.590  1.9160 4.702000       3.832000  
1 1 1 3  21 10 o 9.1680  2.8040 4.695000       5.607000  
1 1 1 4  0  0  o 89.010  1.1840 -0.000000      0.000000  
1 1 1 4  0  1  o 155.500 1.6130 -0.000000      0.000000  
1 1 1 4  0  2  o 85.950  0.8232 -0.000000      0.000000  
1 1 1 4  0  3  o 63.610  0.6865 -0.000000      0.000000  
1 1 1 4  0  4  o 155.400 1.4000 -0.000000      0.000000  
1 1 1 4  0  5  o 101.200 0.9514 -0.000000      0.000000  
1 1 1 4  0  6  o 8.1390  2.7330 -0.000000      0.000000  
1 1 1 4  0  7  o 35.840  0.7633 -0.000000      0.000000  
1 1 1 4  0  8  o 108.200 1.0110 -0.000000      0.000000  
1 1 1 4  0  9  o 200.800 1.7970 -0.000000      0.000000  
1 1 1 4  0  10 o 29.470  0.9339 -0.000000      0.000000  
1 1 1 4  0  11 o 16.370  1.5560 -0.000000      0.000000  
1 1 1 4  0  12 f 53.120  0.7365 -0.000000      0.000000  
1 1 1 4  0  13 o 66.170  0.8934 -0.000000      0.000000  
1 1 1 4  0  14 o 107.000 1.0280 -0.000000      0.000000  
1 1 1 4  0  15 o 13.130  2.8690 -0.000000      0.000000  
1 1 1 4  0  16 o 71.500  0.8383 -0.000000      0.000000  
1 1 1 4  0  17 o 85.950  0.9192 -0.000000      0.000000  
1 1 1 4  0  18 o 52.560  0.8994 -0.000000      0.000000  
1 1 1 4  0  19 o 53.500  0.9300 -0.000000      0.000000  
1 1 1 4  0  20 o 2.8190  2.0730 -0.000000      0.000000  
1 1 1 4  0  21 o 52.340  1.0110 -0.000000      0.000000  
1 1 1 4  0  22 o 11.460  4.2690 -0.000000      0.000000  
1 1 1 4  0  23 o 85.900  1.0110 -0.000000      0.000000  
1 1 1 4  0  24 o 8.6790  4.5310 -0.000000      0.000000  
1 1 1 4  0  25 o 52.460  1.1770 -0.000000      0.000000  
1 1 1 4  0  26 o 5.4760  3.6530 -0.000000      0.000000  
1 1 1 4  0  27 o 4.9030  3.3710 -0.000000      0.000000  
1 1 1 4  0  28 o 5.2420  3.5880 -0.000000      0.000000  
1 1 1 4  0  29 o 39.910  1.6180 -0.000000      0.000000  
1 1 1 4  0  30 o 13.230  4.7750 -0.000000      0.000000  
1 1 1 4  0  31 o 11.880  5.0200 -0.000000      0.000000  
1 1 1 4  0  32 o 11.320  5.0780 -0.000000      0.000000  
1 1 1 4  0  33 o 5.2340  3.5890 -0.000000      0.000000  
1 1 1 4  0  34 o 14.600  5.1060 -0.000000      0.000000  
1 1 1 4  0  35 o 19.460  3.8700 -0.000000      0.000000  
1 1 1 4  0  36 o 4.8000  3.4070 -0.000000      0.000000  
1 1 1 4  0  37 o 8.1740  4.9500 -0.000000      0.000000  
1 1 1 4  1  0  o 152.900 1.3750 -0.000000      0.000000  
1 1 1 4  1  1  o 19.650  0.6353 0.5867000      1.271000  
1 1 1 4  1  2  f 70.470  0.5065 1.346000       1.013000  
1 1 1 4  1  3  f 22.760  0.6624 -1.623000      1.325000  
1 1 1 4  1  4  o 21.380  0.7547 0.7187000      1.509000  
1 1 1 4  1  5  o 170.900 1.0850 0.9822000      2.170000  
1 1 1 4  1  6  o 85.290  0.6061 -0.9460000     1.212000  
1 1 1 4  1  7  o 37.340  0.5087 2.108000       1.017000  
1 1 1 4  1  8  o 70.050  0.5304 0.6314000      1.061000  
1 1 1 4  1  9  o 54.640  0.4972 0.8151000      0.9945000 
1 1 1 4  1  10 o 137.600 0.8875 1.887000       1.775000  
1 1 1 4  1  11 o 86.530  0.6124 -1.708000      1.225000  
1 1 1 4  1  12 o 49.250  0.5327 0.9522000      1.065000  
1 1 1 4  1  13 o 99.950  0.6874 -2.185000      1.375000  
1 1 1 4  1  14 o 45.670  0.5900 -1.472000      1.180000  
1 1 1 4  1  15 o 61.230  0.5682 -1.982000      1.136000  
1 1 1 4  1  16 o 25.540  0.9974 0.9579000      1.995000  
1 1 1 4  1  17 o 54.960  0.6187 1.095000       1.237000  
1 1 1 4  1  18 o 44.920  0.7082 -2.754000      1.416000  
1 1 1 4  1  19 o 26.750  1.0910 0.4924000      2.181000  
1 1 1 4  1  20 o 119.800 0.8202 0.3060000      1.640000  
1 1 1 4  1  21 o 64.160  0.6647 2.638000       1.329000  
1 1 1 4  1  22 o 16.690  2.0240 2.297000       4.047000  
1 1 1 4  1  23 o 26.030  1.4180 0.6183000      2.835000  
1 1 1 4  1  24 o 64.300  0.7344 -0.8319000     1.469000  
1 1 1 4  1  25 o 94.930  0.7637 1.602000       1.527000  
1 1 1 4  1  26 o 27.130  1.4920 -5.633000      2.984000  
1 1 1 4  1  27 o 14.420  2.7340 1.064000       5.468000  
1 1 1 4  1  28 o 26.610  1.5350 0.3051000      3.069000  
1 1 1 4  1  29 o 36.910  1.1630 2.594000       2.326000  
1 1 1 4  1  30 o 26.810  1.6500 0.9654000      3.299000  
1 1 1 4  1  31 o 22.880  1.9770 -3.151000      3.953000  
1 1 1 4  1  32 o 35.930  1.2680 -0.9149000     2.536000  
1 1 1 4  1  33 o 38.890  1.2100 1.003000       2.421000  
1 1 1 4  1  34 o 8.1780  2.6020 -0.8388000     5.204000  
1 1 1 4  1  35 o 19.430  2.5310 5.013000       5.061000  
1 1 1 4  1  36 o 12.790  2.8280 -8.436000      5.655000  
1 1 1 4  1  37 o 8.2690  2.7060 -0.9332000E-01 5.412000  
1 1 1 4  2  0  o 25.510  0.6732 -0.000000      0.000000  
1 1 1 4  2  1  o 26.930  0.6088 3.567000       1.218000  
1 1 1 4  2  2  o 119.400 0.7714 -0.7889000E-01 1.543000  
1 1 1 4  2  3  o 106.400 0.7223 1.281000       1.445000  
1 1 1 4  2  4  o 133.800 0.9308 0.3633000E-01  1.862000  
1 1 1 4  2  5  o 46.880  0.4642 -1.038000      0.9283000 
1 1 1 4  2  6  o 98.470  0.6625 1.832000       1.325000  
1 1 1 4  2  7  o 68.480  0.5775 2.423000       1.155000  
1 1 1 4  2  8  o 82.400  0.6234 1.877000       1.247000  
1 1 1 4  2  9  o 105.400 0.7030 0.1017000      1.406000  
1 1 1 4  2  10 o 97.610  0.6654 -0.2097000     1.331000  
1 1 1 4  2  11 o 95.390  0.6541 -2.134000      1.308000  
1 1 1 4  2  12 o 45.480  0.5596 0.3689000      1.119000  
1 1 1 4  2  13 o 57.790  0.5774 -0.8555000     1.155000  
1 1 1 4  2  14 o 63.980  0.5648 1.182000       1.130000  
1 1 1 4  2  15 o 79.740  0.6162 0.4057000      1.232000  
1 1 1 4  2  16 o 60.570  0.6032 -0.6329000     1.206000  
1 1 1 4  2  17 o 18.480  1.4830 4.799000       2.966000  
1 1 1 4  2  18 o 44.300  0.6929 -1.619000      1.386000  
1 1 1 4  2  19 o 95.390  0.7071 1.416000       1.414000  
1 1 1 4  2  20 o 76.460  0.6547 -1.315000      1.309000  
1 1 1 4  2  21 o 68.710  0.6594 -0.3287000     1.319000  
1 1 1 4  2  22 o 77.210  0.6907 -4.366000      1.381000  
1 1 1 4  2  23 f 111.900 0.8051 0.7521000      1.610000  
1 1 1 4  2  24 o 19.190  1.9820 -1.574000      3.963000  
1 1 1 4  2  25 o 28.530  1.3660 0.1820000      2.732000  
1 1 1 4  2  26 o 105.700 0.8007 0.3450000      1.601000  
1 1 1 4  2  27 o 11.510  2.8060 0.9326000      5.612000  
1 1 1 4  2  28 o 29.580  1.4300 1.322000       2.861000  
1 1 1 4  2  29 o 21.800  2.0080 4.211000       4.017000  
1 1 1 4  2  30 o 32.160  1.3790 1.318000       2.758000  
1 1 1 4  2  31 o 29.170  1.5260 4.730000       3.051000  
1 1 1 4  2  32 o 30.890  1.5060 0.8232000      3.012000  
1 1 1 4  2  33 o 20.340  2.3190 -1.534000      4.638000  
1 1 1 4  2  34 o 27.070  1.7100 1.447000       3.419000  
1 1 1 4  2  35 o 13.120  2.8690 7.367000       5.737000  
1 1 1 4  2  36 o 10.230  2.9470 1.782000       5.894000  
1 1 1 4  2  37 o 9.2900  2.8950 -0.5755000E-02 5.790000  
1 1 1 4  3  0  o 111.600 1.0310 -0.000000      0.000000  
1 1 1 4  3  1  o 164.400 1.0470 -2.490000      2.094000  
1 1 1 4  3  2  o 76.310  0.5865 -1.482000      1.173000  
1 1 1 4  3  3  o 84.000  0.6007 -0.3576000     1.201000  
1 1 1 4  3  4  o 131.200 0.8460 1.640000       1.692000  
1 1 1 4  3  5  o 97.770  0.6588 -0.9426000     1.318000  
1 1 1 4  3  6  o 56.620  0.7055 -5.836000      1.411000  
1 1 1 4  3  7  o 54.020  0.5015 1.257000       1.003000  
1 1 1 4  3  8  o 50.150  0.4873 0.1055000      0.9746000 
1 1 1 4  3  9  o 48.550  0.4975 0.4897000      0.9950000 
1 1 1 4  3  10 o 69.370  0.5436 -1.249000      1.087000  
1 1 1 4  3  11 o 115.900 0.7680 0.6396000      1.536000  
1 1 1 4  3  12 o 47.390  0.5570 -1.585000      1.114000  
1 1 1 4  3  13 o 75.580  0.5912 0.5329000      1.182000  
1 1 1 4  3  14 o 60.630  0.5805 0.8039000      1.161000  
1 1 1 4  3  15 o 69.440  0.5980 0.8245000      1.196000  
1 1 1 4  3  16 o 82.750  0.6408 -0.4582000     1.282000  
1 1 1 4  3  17 o 7.0230  2.0680 3.316000       4.135000  
1 1 1 4  3  18 o 39.070  0.7748 0.5234000E-01  1.550000  
1 1 1 4  3  19 o 40.400  0.8022 1.336000       1.604000  
1 1 1 4  3  20 o 64.550  0.6646 -2.166000      1.329000  
1 1 1 4  3  21 o 26.600  1.2020 -2.196000      2.405000  
1 1 1 4  3  22 o 10.420  2.5140 3.564000       5.027000  
1 1 1 4  3  23 o 17.310  2.1810 -1.959000      4.363000  
1 1 1 4  3  24 o 73.700  0.7220 -0.9971000     1.444000  
1 1 1 4  3  25 o 21.480  1.9640 -9.613000      3.927000  
1 1 1 4  3  26 o 35.600  1.1770 3.624000       2.354000  
1 1 1 4  3  27 o 83.630  0.7608 2.891000       1.522000  
1 1 1 4  3  28 o 13.680  2.7810 2.850000       5.561000  
1 1 1 4  3  29 o 20.800  2.0040 0.3665000      4.009000  
1 1 1 4  3  30 o 40.430  1.0870 -0.6412000     2.173000  
1 1 1 4  3  31 o 11.380  2.9390 0.8343000      5.878000  
1 1 1 4  3  32 o 46.130  1.0230 -1.087000      2.047000  
1 1 1 4  3  33 o 10.150  2.7750 -4.374000      5.550000  
1 1 1 4  3  34 o 15.120  3.0360 1.851000       6.072000  
1 1 1 4  3  35 o 11.690  3.0260 -2.399000      6.053000  
1 1 1 4  3  36 o 21.450  2.4800 8.169000       4.960000  
1 1 1 4  3  37 o 10.880  2.9170 6.922000       5.833000  
1 1 1 4  4  0  o 68.880  0.7186 -0.000000      0.000000  
1 1 1 4  4  1  o 63.390  0.5279 -0.6367000     1.056000  
1 1 1 4  4  2  o 42.790  0.4555 -1.207000      0.9110000 
1 1 1 4  4  3  o 34.720  0.3802 1.382000       0.7603000 
1 1 1 4  4  4  o 81.360  0.6538 1.089000       1.308000  
1 1 1 4  4  5  o 93.570  0.6358 3.744000       1.272000  
1 1 1 4  4  6  o 88.150  0.6098 -3.281000      1.220000  
1 1 1 4  4  7  o 128.300 0.8357 -0.4292000     1.671000  
1 1 1 4  4  8  o 21.720  0.6747 1.512000       1.349000  
1 1 1 4  4  9  o 103.600 0.7218 2.591000       1.444000  
1 1 1 4  4  10 o 29.550  0.6401 -0.7270000     1.280000  
1 1 1 4  4  11 o 54.280  0.5374 -0.2488000     1.075000  
1 1 1 4  4  12 o 124.700 0.8254 0.9599000      1.651000  
1 1 1 4  4  13 o 30.800  0.7582 3.803000       1.516000  
1 1 1 4  4  14 o 29.490  0.8570 -1.203000      1.714000  
1 1 1 4  4  15 o 55.690  0.6102 1.185000       1.220000  
1 1 1 4  4  16 o 135.400 0.8963 -1.132000      1.793000  
1 1 1 4  4  17 o 56.820  0.6376 -2.250000      1.275000  
1 1 1 4  4  18 o 9.9780  2.4290 0.9376000      4.859000  
1 1 1 4  4  19 o 19.540  1.5750 -4.149000      3.150000  
1 1 1 4  4  20 o 38.490  0.8847 -1.697000      1.769000  
1 1 1 4  4  21 f 30.090  1.1360 -1.765000      2.272000  
1 1 1 4  4  22 o 32.020  1.1140 1.678000       2.229000  
1 1 1 4  4  23 o 35.450  1.0790 -2.967000      2.158000  
1 1 1 4  4  24 o 26.010  1.4930 -4.537000      2.985000  
1 1 1 4  4  25 o 31.890  1.2440 -1.821000      2.487000  
1 1 1 4  4  26 o 44.260  0.9481 -0.1975000     1.896000  
1 1 1 4  4  27 o 43.620  0.9983 1.915000       1.997000  
1 1 1 4  4  28 o 19.470  2.2610 -4.966000      4.523000  
1 1 1 4  4  29 o 7.4710  2.4210 -0.9903000     4.843000  
1 1 1 4  4  30 o 23.280  1.9430 1.978000       3.887000  
1 1 1 4  4  31 o 18.670  2.4810 -0.8524000     4.962000  
1 1 1 4  4  32 o 17.780  2.6180 -1.791000      5.237000  
1 1 1 4  4  33 o 28.680  1.7080 -7.536000      3.417000  
1 1 1 4  4  34 o 16.620  2.8630 2.929000       5.727000  
1 1 1 4  4  35 o 7.9680  2.5930 -0.4114000     5.186000  
1 1 1 4  4  36 o 8.3650  2.7090 0.4587000      5.419000  
1 1 1 4  4  37 x ?       ?      ?              ?         
1 1 1 4  5  0  o 63.400  1.1500 -0.000000      0.000000  
1 1 1 4  5  1  o 66.780  0.5985 1.185000       1.197000  
1 1 1 4  5  2  o 147.100 1.3610 -1.727000      2.722000  
1 1 1 4  5  3  o 107.900 0.9003 8.584000       1.801000  
1 1 1 4  5  4  o 107.300 0.7118 1.285000       1.424000  
1 1 1 4  5  5  o 95.610  0.6513 0.2671000      1.303000  
1 1 1 4  5  6  o 48.310  0.5357 -1.378000      1.071000  
1 1 1 4  5  7  o 156.200 1.0020 -1.458000      2.005000  
1 1 1 4  5  8  o 32.190  0.5543 -1.464000      1.109000  
1 1 1 4  5  9  o 42.780  0.5195 -0.4000000     1.039000  
1 1 1 4  5  10 o 22.980  0.8650 -0.1422000     1.730000  
1 1 1 4  5  11 o 40.910  0.6085 -1.604000      1.217000  
1 1 1 4  5  12 o 109.700 0.7464 0.7484000E-01  1.493000  
1 1 1 4  5  13 o 94.890  0.6827 1.065000       1.365000  
1 1 1 4  5  14 o 75.510  0.6174 -1.809000      1.235000  
1 1 1 4  5  15 o 28.950  0.9106 -0.4301000     1.821000  
1 1 1 4  5  16 o 38.810  0.7657 -0.9018000     1.531000  
1 1 1 4  5  17 o 15.700  1.8990 -4.800000      3.799000  
1 1 1 4  5  18 o 52.010  0.7055 0.3653000E-01  1.411000  
1 1 1 4  5  19 o 55.330  0.7711 1.190000       1.542000  
1 1 1 4  5  20 f 60.700  0.6992 0.2574000      1.398000  
1 1 1 4  5  21 o 43.530  0.8731 -2.308000      1.746000  
1 1 1 4  5  22 o 35.750  1.0640 0.9914000      2.128000  
1 1 1 4  5  23 o 54.910  0.7959 -0.3688000     1.592000  
1 1 1 4  5  24 o 44.060  0.9545 -0.1152000     1.909000  
1 1 1 4  5  25 o 61.140  0.7862 -0.9793000     1.572000  
1 1 1 4  5  26 o 29.070  1.4230 2.386000       2.846000  
1 1 1 4  5  27 f 44.430  0.9977 -1.612000      1.995000  
1 1 1 4  5  28 o 10.110  2.7610 3.979000       5.522000  
1 1 1 4  5  29 o 42.240  1.0670 5.057000       2.134000  
1 1 1 4  5  30 o 13.050  2.9270 0.3623000      5.853000  
1 1 1 4  5  31 o 21.750  2.3430 -14.42000      4.687000  
1 1 1 4  5  32 o 12.240  2.9820 2.435000       5.965000  
1 1 1 4  5  33 o 12.130  2.6370 -8.852000      5.273000  
1 1 1 4  5  34 o 25.900  1.8880 -5.422000      3.777000  
1 1 1 4  5  35 o 11.050  3.0060 -1.174000      6.012000  
1 1 1 4  5  36 o 10.720  3.0590 1.988000       6.118000  
1 1 1 4  6  0  o 111.100 1.2240 -0.000000      0.000000  
1 1 1 4  6  1  o 25.580  0.6382 2.146000       1.276000  
1 1 1 4  6  2  o 71.590  0.5282 -0.2161000     1.056000  
1 1 1 4  6  3  o 49.350  0.4474 -0.7831000     0.8949000 
1 1 1 4  6  4  o 64.360  0.5036 -0.9919000     1.007000  
1 1 1 4  6  5  o 43.970  0.4532 0.3369000      0.9065000 
1 1 1 4  6  6  o 69.990  0.5379 1.353000       1.076000  
1 1 1 4  6  7  o 99.300  0.6858 0.6774000      1.372000  
1 1 1 4  6  8  o 63.330  0.5390 0.3175000      1.078000  
1 1 1 4  6  9  o 63.360  0.5638 0.6024000      1.128000  
1 1 1 4  6  10 o 87.450  0.6582 0.8843000      1.316000  
1 1 1 4  6  11 o 42.840  0.6014 -0.1584000     1.203000  
1 1 1 4  6  12 o 14.360  1.5650 1.027000       3.129000  
1 1 1 4  6  13 o 62.010  0.5864 0.3664000      1.173000  
1 1 1 4  6  14 o 64.780  0.6097 -1.704000      1.219000  
1 1 1 4  6  15 o 106.000 0.7491 1.645000       1.498000  
1 1 1 4  6  16 o 47.300  0.7050 0.2774000E-01  1.410000  
1 1 1 4  6  17 o 98.120  0.7269 -2.216000      1.454000  
1 1 1 4  6  18 o 74.490  0.6780 3.074000       1.356000  
1 1 1 4  6  19 o 132.500 0.9016 -1.562000      1.803000  
1 1 1 4  6  20 o 58.730  0.7393 -0.2375000     1.479000  
1 1 1 4  6  21 o 33.590  1.1480 -0.4408000     2.297000  
1 1 1 4  6  22 o 35.040  1.1260 1.959000       2.251000  
1 1 1 4  6  23 o 80.470  0.7525 -0.4879000     1.505000  
1 1 1 4  6  24 o 75.650  0.7711 1.381000       1.542000  
1 1 1 4  6  25 o 56.590  0.8618 -2.321000      1.724000  
1 1 1 4  6  26 f 50.760  0.9069 -2.761000      1.814000  
1 1 1 4  6  27 o 41.590  1.0530 -2.035000      2.106000  
1 1 1 4  6  28 o 31.900  1.3850 -3.319000      2.769000  
1 1 1 4  6  29 o 27.750  1.5880 1.277000       3.177000  
1 1 1 4  6  30 o 19.630  2.3190 0.6614000      4.638000  
1 1 1 4  6  31 o 18.840  2.4030 1.129000       4.805000  
1 1 1 4  6  32 o 13.380  2.9690 4.293000       5.937000  
1 1 1 4  6  33 o 8.5730  2.6870 0.9389000      5.375000  
1 1 1 4  6  34 o 17.200  2.9140 -0.4482000     5.829000  
1 1 1 4  6  35 o 16.110  3.0740 1.040000       6.147000  
1 1 1 4  6  36 o 9.0580  2.9100 0.8143000      5.820000  
1 1 1 4  7  0  o 165.200 1.7440 -0.000000      0.000000  
1 1 1 4  7  1  o 30.120  0.6181 -5.104000      1.236000  
1 1 1 4  7  2  o 39.480  0.5591 -2.822000      1.118000  
1 1 1 4  7  3  o 90.270  0.6356 -2.016000      1.271000  
1 1 1 4  7  4  o 68.860  0.5444 1.381000       1.089000  
1 1 1 4  7  5  o 68.710  0.5499 -0.8587000     1.100000  
1 1 1 4  7  6  o 43.720  0.5223 0.9224000      1.045000  
1 1 1 4  7  7  o 55.710  0.5754 -1.148000      1.151000  
1 1 1 4  7  8  o 7.8330  1.8840 -1.545000      3.769000  
1 1 1 4  7  9  o 7.6030  1.9720 0.9964000      3.944000  
1 1 1 4  7  10 o 15.280  1.4110 3.854000       2.822000  
1 1 1 4  7  11 o 49.000  0.6189 -0.3323000     1.238000  
1 1 1 4  7  12 o 39.630  0.6917 1.955000       1.383000  
1 1 1 4  7  13 o 36.440  0.7563 0.3859000E-01  1.513000  
1 1 1 4  7  14 o 47.940  0.7143 -2.496000      1.429000  
1 1 1 4  7  15 o 62.690  0.6452 1.969000       1.290000  
1 1 1 4  7  16 o 13.420  2.1250 4.113000       4.249000  
1 1 1 4  7  17 o 61.840  0.6715 -1.202000      1.343000  
1 1 1 4  7  18 o 68.220  0.6901 4.192000       1.380000  
1 1 1 4  7  19 o 55.770  0.7641 1.794000       1.528000  
1 1 1 4  7  20 o 18.880  2.0880 -1.289000      4.176000  
1 1 1 4  7  21 o 118.400 0.9166 0.5301000      1.833000  
1 1 1 4  7  22 o 72.110  0.8212 -0.5269000     1.642000  
1 1 1 4  7  23 o 35.980  1.2110 -3.063000      2.423000  
1 1 1 4  7  24 o 73.280  0.8324 -0.3048000     1.665000  
1 1 1 4  7  25 o 42.870  1.1090 -1.049000      2.218000  
1 1 1 4  7  26 o 28.730  1.5480 -6.225000      3.096000  
1 1 1 4  7  27 f 37.770  1.2060 0.2037000      2.411000  
1 1 1 4  7  28 o 18.000  2.5170 4.906000       5.035000  
1 1 1 4  7  29 o 10.980  2.9170 -1.212000      5.834000  
1 1 1 4  7  30 o 25.270  1.9190 -7.159000      3.838000  
1 1 1 4  7  31 o 22.920  2.0450 3.956000       4.091000  
1 1 1 4  7  32 o 20.310  2.3010 -0.2580000     4.603000  
1 1 1 4  7  33 o 6.9890  2.3260 -2.043000      4.653000  
1 1 1 4  7  34 o 13.920  2.9820 3.785000       5.965000  
1 1 1 4  7  35 o 22.520  2.1990 3.200000       4.398000  
1 1 1 4  8  0  o 96.330  1.0890 -0.000000      0.000000  
1 1 1 4  8  1  o 93.450  0.8044 1.831000       1.609000  
1 1 1 4  8  2  o 56.560  0.6292 1.684000       1.258000  
1 1 1 4  8  3  o 32.290  0.6711 1.722000       1.342000  
1 1 1 4  8  4  o 40.180  0.6222 -1.142000      1.244000  
1 1 1 4  8  5  o 47.370  0.5516 -0.8267000     1.103000  
1 1 1 4  8  6  o 44.930  0.7550 -2.585000      1.510000  
1 1 1 4  8  7  o 26.160  0.8272 -1.582000      1.654000  
1 1 1 4  8  8  o 32.440  0.7200 -2.892000      1.440000  
1 1 1 4  8  9  o 21.690  1.0490 1.985000       2.097000  
1 1 1 4  8  10 o 15.480  1.5900 -2.908000      3.180000  
1 1 1 4  8  11 o 36.900  0.7306 -1.125000      1.461000  
1 1 1 4  8  12 o 57.360  0.6316 -1.345000      1.263000  
1 1 1 4  8  13 o 45.560  0.6980 -0.3743000     1.396000  
1 1 1 4  8  14 o 38.870  0.8148 -1.590000      1.630000  
1 1 1 4  8  15 o 48.850  0.7500 0.9566000      1.500000  
1 1 1 4  8  16 o 91.500  0.7177 0.4339000      1.435000  
1 1 1 4  8  17 o 97.310  0.7472 2.312000       1.494000  
1 1 1 4  8  18 o 66.700  0.7085 1.239000       1.417000  
1 1 1 4  8  19 o 48.870  0.8195 -0.7269000     1.639000  
1 1 1 4  8  20 o 31.920  1.2010 -1.596000      2.403000  
1 1 1 4  8  21 o 109.700 0.8180 0.3193000      1.636000  
1 1 1 4  8  22 o 91.300  0.8307 0.3384000      1.661000  
1 1 1 4  8  23 o 32.900  1.2600 -4.720000      2.520000  
1 1 1 4  8  24 o 18.950  2.3300 -2.108000      4.660000  
1 1 1 4  8  25 o 11.470  2.6940 5.697000       5.388000  
1 1 1 4  8  26 o 35.350  1.2290 -0.6750000     2.459000  
1 1 1 4  8  27 o 25.520  1.7410 4.141000       3.482000  
1 1 1 4  8  28 o 9.1920  2.7150 3.088000       5.430000  
1 1 1 4  8  29 o 9.4960  2.7990 0.6847000      5.599000  
1 1 1 4  8  30 o 17.570  2.6400 -5.262000      5.279000  
1 1 1 4  8  31 o 14.580  2.8270 5.489000       5.654000  
1 1 1 4  8  32 o 10.420  2.9040 -2.231000      5.807000  
1 1 1 4  8  33 o 14.520  2.5170 -13.13000      5.035000  
1 1 1 4  8  34 o 10.710  2.9260 4.741000       5.852000  
1 1 1 4  9  0  o 40.000  0.9215 -0.000000      0.000000  
1 1 1 4  9  1  o 25.460  0.8958 1.493000       1.792000  
1 1 1 4  9  2  o 32.180  0.7635 -0.2576000     1.527000  
1 1 1 4  9  3  o 62.430  0.6119 0.7487000      1.224000  
1 1 1 4  9  4  o 70.590  0.6367 0.4531000      1.273000  
1 1 1 4  9  5  o 33.000  0.7878 0.2146000      1.576000  
1 1 1 4  9  6  o 50.050  0.6108 0.6111000      1.222000  
1 1 1 4  9  7  o 35.460  0.8267 -0.8986000     1.653000  
1 1 1 4  9  8  o 13.420  1.7910 3.534000       3.582000  
1 1 1 4  9  9  o 20.010  1.2860 -1.153000      2.573000  
1 1 1 4  9  10 o 77.150  0.6678 -1.305000      1.336000  
1 1 1 4  9  11 o 20.410  1.3460 1.060000       2.691000  
1 1 1 4  9  12 o 39.930  0.7490 -0.7472000E-01 1.498000  
1 1 1 4  9  13 o 89.380  0.7264 0.9883000      1.453000  
1 1 1 4  9  14 o 67.820  0.7011 1.602000       1.402000  
1 1 1 4  9  15 o 65.770  0.7134 -1.754000      1.427000  
1 1 1 4  9  16 o 81.160  0.7460 0.8277000      1.492000  
1 1 1 4  9  17 o 105.900 0.8520 -1.052000      1.704000  
1 1 1 4  9  18 o 6.0900  2.0530 -1.113000      4.106000  
1 1 1 4  9  19 o 12.780  2.5710 5.372000       5.143000  
1 1 1 4  9  20 o 48.900  0.9051 -2.636000      1.810000  
1 1 1 4  9  21 o 51.170  0.9492 -1.185000      1.898000  
1 1 1 4  9  22 o 29.200  1.5720 -0.5303000     3.144000  
1 1 1 4  9  23 o 23.010  1.9230 1.034000       3.846000  
1 1 1 4  9  24 o 17.390  2.6820 -1.166000      5.364000  
1 1 1 4  9  25 o 18.940  2.6000 -1.183000      5.200000  
1 1 1 4  9  26 o 19.850  2.3810 -0.9374000E-01 4.761000  
1 1 1 4  9  27 o 23.800  1.8700 1.979000       3.740000  
1 1 1 4  9  28 o 35.810  1.3250 -4.255000      2.651000  
1 1 1 4  9  29 f 21.770  2.1420 2.056000       4.283000  
1 1 1 4  9  30 o 10.950  2.9210 3.584000       5.842000  
1 1 1 4  9  31 o 20.890  2.3950 -2.398000      4.791000  
1 1 1 4  9  32 o 15.670  2.8580 -6.936000      5.715000  
1 1 1 4  9  33 o 13.870  2.8860 9.407000       5.772000  
1 1 1 4  9  34 o 10.860  3.1590 1.003000       6.319000  
1 1 1 4  10 0  o 18.330  2.1880 -0.000000      0.000000  
1 1 1 4  10 1  o 53.260  0.6532 1.008000       1.306000  
1 1 1 4  10 2  o 110.200 0.8557 0.5697000      1.711000  
1 1 1 4  10 3  o 102.600 0.7804 0.3163000      1.561000  
1 1 1 4  10 4  o 36.080  0.9702 1.977000       1.940000  
1 1 1 4  10 5  o 38.660  0.8376 0.4602000E-01  1.675000  
1 1 1 4  10 6  o 110.700 0.8305 1.004000       1.661000  
1 1 1 4  10 7  o 40.350  0.7240 2.005000       1.448000  
1 1 1 4  10 8  o 46.220  0.7098 0.4077000      1.420000  
1 1 1 4  10 9  o 54.070  0.6916 1.323000       1.383000  
1 1 1 4  10 10 o 90.350  0.7312 0.1628000      1.462000  
1 1 1 4  10 11 f 54.700  0.7181 -1.125000      1.436000  
1 1 1 4  10 12 o 87.510  0.7821 -1.190000      1.564000  
1 1 1 4  10 13 o 187.600 1.2570 -1.591000      2.515000  
1 1 1 4  10 14 o 109.900 0.8354 -0.8913000     1.671000  
1 1 1 4  10 15 o 76.740  0.7443 0.2174000      1.489000  
1 1 1 4  10 16 o 10.840  2.3730 -6.514000      4.747000  
1 1 1 4  10 17 o 99.020  0.8113 -0.6945000     1.623000  
1 1 1 4  10 18 o 22.910  1.7210 -1.596000      3.442000  
1 1 1 4  10 19 o 77.330  0.7490 0.6966000      1.498000  
1 1 1 4  10 20 o 46.150  0.9548 -2.834000      1.910000  
1 1 1 4  10 21 o 22.610  1.8300 4.121000       3.661000  
1 1 1 4  10 22 o 12.370  2.6030 7.694000       5.206000  
1 1 1 4  10 23 o 44.020  1.0690 0.2049000      2.138000  
1 1 1 4  10 24 o 7.2490  2.3810 2.617000       4.762000  
1 1 1 4  10 25 o 24.620  1.7720 -0.2692000     3.544000  
1 1 1 4  10 26 o 20.740  2.2150 3.485000       4.431000  
1 1 1 4  10 27 o 27.390  1.6940 -3.464000      3.387000  
1 1 1 4  10 28 o 12.040  2.8630 4.096000       5.726000  
1 1 1 4  10 29 o 11.730  3.0110 1.973000       6.022000  
1 1 1 4  10 30 o 10.800  2.9800 2.083000       5.960000  
1 1 1 4  10 31 o 11.800  2.6260 -8.721000      5.252000  
1 1 1 4  10 32 o 18.640  2.8000 3.950000       5.600000  
1 1 1 4  10 33 o 17.920  2.7900 5.276000       5.580000  
1 1 1 4  11 0  o 32.150  1.4050 -0.000000      0.000000  
1 1 1 4  11 1  o 47.090  0.7765 0.4401000      1.553000  
1 1 1 4  11 2  o 49.510  0.7512 -3.089000      1.502000  
1 1 1 4  11 3  o 20.250  1.5820 4.274000       3.164000  
1 1 1 4  11 4  o 16.960  1.9520 2.229000       3.904000  
1 1 1 4  11 5  o 22.670  1.4160 -1.717000      2.831000  
1 1 1 4  11 6  o 47.830  0.8254 0.2818000      1.651000  
1 1 1 4  11 7  o 59.960  0.7504 -2.399000      1.501000  
1 1 1 4  11 8  o 11.740  2.2210 8.107000       4.442000  
1 1 1 4  11 9  o 115.400 0.8380 -1.123000      1.676000  
1 1 1 4  11 10 o 79.190  0.7271 -0.7379000     1.454000  
1 1 1 4  11 11 o 22.190  1.5430 -5.044000      3.086000  
1 1 1 4  11 12 o 33.100  1.0810 -0.5587000     2.163000  
1 1 1 4  11 13 o 21.990  1.6380 1.730000       3.275000  
1 1 1 4  11 14 f 14.140  2.5700 -2.015000      5.141000  
1 1 1 4  11 15 o 111.400 0.8614 0.3216000      1.723000  
1 1 1 4  11 16 o 30.860  1.2910 -1.602000      2.581000  
1 1 1 4  11 17 o 11.160  2.6500 5.898000       5.300000  
1 1 1 4  11 18 o 79.490  0.8111 -0.9171000E-01 1.622000  
1 1 1 4  11 19 o 20.170  2.2420 0.2657000      4.483000  
1 1 1 4  11 20 o 31.160  1.4850 -2.640000      2.970000  
1 1 1 4  11 21 o 17.740  2.4830 0.7409000      4.965000  
1 1 1 4  11 22 o 28.290  1.5900 -4.275000      3.180000  
1 1 1 4  11 23 o 28.350  1.6030 -5.014000      3.206000  
1 1 1 4  11 24 f 22.700  2.0150 -2.132000      4.029000  
1 1 1 4  11 25 o 22.150  2.1030 -1.861000      4.206000  
1 1 1 4  11 26 o 17.270  2.6710 -4.959000      5.341000  
1 1 1 4  11 27 o 13.700  2.8640 -4.947000      5.728000  
1 1 1 4  11 28 o 35.230  1.3410 2.242000       2.682000  
1 1 1 4  11 29 o 9.8850  2.9930 -1.336000      5.986000  
1 1 1 4  11 30 o 29.260  1.6730 3.210000       3.347000  
1 1 1 4  11 31 o 6.8660  2.3330 2.283000       4.665000  
1 1 1 4  11 32 o 14.760  3.1000 1.593000       6.200000  
1 1 1 4  12 0  o 79.960  1.0310 -0.000000      0.000000  
1 1 1 4  12 1  o 20.560  1.7260 -3.526000      3.452000  
1 1 1 4  12 2  o 56.290  0.7740 -0.5781000     1.548000  
1 1 1 4  12 3  o 41.720  0.9079 1.030000       1.816000  
1 1 1 4  12 4  o 64.400  0.7664 -2.041000      1.533000  
1 1 1 4  12 5  o 21.080  1.7070 0.6945000E-02  3.414000  
1 1 1 4  12 6  o 115.700 0.8808 -1.270000      1.762000  
1 1 1 4  12 7  o 71.020  0.7814 -2.268000      1.563000  
1 1 1 4  12 8  o 29.900  1.3060 -2.644000      2.612000  
1 1 1 4  12 9  o 69.810  0.8085 1.725000       1.617000  
1 1 1 4  12 10 o 81.160  0.8538 -0.9395000     1.708000  
1 1 1 4  12 11 o 91.390  0.7857 2.123000       1.571000  
1 1 1 4  12 12 o 99.910  0.8148 2.143000       1.630000  
1 1 1 4  12 13 o 87.570  0.7932 -0.4651000     1.586000  
1 1 1 4  12 14 o 65.280  0.8256 1.571000       1.651000  
1 1 1 4  12 15 o 65.010  0.8254 1.071000       1.651000  
1 1 1 4  12 16 o 14.830  2.6120 -6.464000      5.225000  
1 1 1 4  12 17 o 22.690  1.9020 1.007000       3.803000  
1 1 1 4  12 18 o 76.730  0.8424 -1.079000      1.685000  
1 1 1 4  12 19 o 10.260  2.8450 1.218000       5.690000  
1 1 1 4  12 20 o 34.820  1.2990 0.9784000      2.598000  
1 1 1 4  12 21 o 23.580  1.8790 0.7722000      3.757000  
1 1 1 4  12 22 o 10.870  2.7380 4.592000       5.477000  
1 1 1 4  12 23 o 26.210  1.6890 -3.755000      3.378000  
1 1 1 4  12 24 o 12.930  2.9420 -3.087000      5.884000  
1 1 1 4  12 25 o 12.210  2.5420 -8.927000      5.084000  
1 1 1 4  12 26 o 48.050  1.0970 -1.105000      2.194000  
1 1 1 4  12 27 o 11.200  2.9690 -3.431000      5.938000  
1 1 1 4  12 28 o 28.250  1.7230 0.2431000      3.446000  
1 1 1 4  12 29 o 11.860  2.9460 4.730000       5.893000  
1 1 1 4  12 30 o 19.300  2.5220 0.6111000      5.044000  
1 1 1 4  12 31 o 14.860  3.1030 2.340000       6.206000  
1 1 1 4  13 0  o 43.680  1.3710 -0.000000      0.000000  
1 1 1 4  13 1  o 46.050  0.9361 0.2487000      1.872000  
1 1 1 4  13 2  o 21.930  1.8430 4.025000       3.686000  
1 1 1 4  13 3  o 86.900  0.8256 1.511000       1.651000  
1 1 1 4  13 4  o 113.000 0.8819 2.586000       1.764000  
1 1 1 4  13 5  o 90.790  0.8178 -0.9027000E-01 1.636000  
1 1 1 4  13 6  o 20.870  1.9550 -6.223000      3.909000  
1 1 1 4  13 7  o 76.790  0.8282 1.379000       1.656000  
1 1 1 4  13 8  o 77.880  0.8365 0.7886000      1.673000  
1 1 1 4  13 9  o 77.930  0.8530 1.795000       1.706000  
1 1 1 4  13 10 o 29.390  1.5530 1.250000       3.105000  
1 1 1 4  13 11 o 33.330  1.4870 0.4721000      2.974000  
1 1 1 4  13 12 o 38.030  1.1130 0.9057000      2.227000  
1 1 1 4  13 13 o 98.870  0.8812 -2.385000      1.762000  
1 1 1 4  13 14 o 53.580  0.9182 1.043000       1.836000  
1 1 1 4  13 15 o 37.240  1.1950 1.424000       2.389000  
1 1 1 4  13 16 f 19.230  2.3610 0.9463000      4.723000  
1 1 1 4  13 17 o 8.7870  2.6810 -0.8353000     5.363000  
1 1 1 4  13 18 o 17.410  2.5800 0.1497000      5.160000  
1 1 1 4  13 19 o 50.110  1.0270 -1.589000      2.055000  
1 1 1 4  13 20 o 39.860  1.2430 4.267000       2.486000  
1 1 1 4  13 21 o 18.370  2.6170 0.7741000      5.235000  
1 1 1 4  13 22 o 9.6350  2.7580 -4.440000      5.515000  
1 1 1 4  13 23 o 18.880  2.7090 -2.635000      5.417000  
1 1 1 4  13 24 o 22.670  2.1410 0.8996000      4.283000  
1 1 1 4  13 25 o 11.230  2.9310 -3.944000      5.861000  
1 1 1 4  13 26 o 33.130  1.5230 -4.758000      3.046000  
1 1 1 4  13 27 o 13.140  3.0050 -4.902000      6.011000  
1 1 1 4  13 28 f 17.110  2.6450 9.270000       5.289000  
1 1 1 4  13 29 o 10.340  2.9260 -1.561000      5.852000  
1 1 1 4  14 0  o 68.920  1.2660 -0.000000      0.000000  
1 1 1 4  14 1  o 79.480  0.7962 0.1636000      1.592000  
1 1 1 4  14 2  o 82.220  0.8468 -1.559000      1.694000  
1 1 1 4  14 3  o 72.340  0.8150 -0.6083000     1.630000  
1 1 1 4  14 4  o 74.590  0.8178 1.434000       1.636000  
1 1 1 4  14 5  o 42.550  1.1380 2.319000       2.276000  
1 1 1 4  14 6  o 41.440  1.2710 -6.080000      2.543000  
1 1 1 4  14 7  o 29.700  1.5550 1.146000       3.110000  
1 1 1 4  14 8  o 18.700  2.6040 7.144000       5.208000  
1 1 1 4  14 9  o 31.910  1.5240 0.2502000      3.048000  
1 1 1 4  14 10 o 11.060  2.7330 5.489000       5.466000  
1 1 1 4  14 11 o 43.440  1.1980 0.1882000      2.396000  
1 1 1 4  14 12 o 40.700  1.2750 -3.025000      2.550000  
1 1 1 4  14 13 o 31.590  1.4200 -1.875000      2.840000  
1 1 1 4  14 14 o 40.350  1.1610 -1.348000      2.321000  
1 1 1 4  14 15 o 56.250  0.9602 0.9025000      1.920000  
1 1 1 4  14 16 o 32.530  1.4320 1.146000       2.864000  
1 1 1 4  14 17 o 30.060  1.5680 3.383000       3.137000  
1 1 1 4  14 18 o 44.600  1.1560 2.636000       2.312000  
1 1 1 4  14 19 o 39.960  1.2150 -2.577000      2.430000  
1 1 1 4  14 20 o 26.920  1.8480 -2.047000      3.696000  
1 1 1 4  14 21 o 41.320  1.2730 3.161000       2.545000  
1 1 1 4  14 22 o 11.930  3.0810 1.426000       6.161000  
1 1 1 4  14 23 o 10.400  2.9550 -2.026000      5.909000  
1 1 1 4  14 24 o 29.630  1.7000 1.358000       3.401000  
1 1 1 4  14 25 o 23.130  2.3570 -4.549000      4.714000  
1 1 1 4  14 26 o 11.070  2.9620 3.766000       5.925000  
1 1 1 4  14 27 o 6.2570  2.1720 0.4362000      4.344000  
1 1 1 4  14 28 o 6.6280  2.2760 0.2354000      4.552000  
1 1 1 4  15 0  o 19.460  3.5990 -0.000000      0.000000  
1 1 1 4  15 1  o 39.890  1.2150 -2.795000      2.430000  
1 1 1 4  15 2  o 58.090  0.9410 -1.342000      1.882000  
1 1 1 4  15 3  o 32.200  1.4880 -1.608000      2.977000  
1 1 1 4  15 4  o 36.100  1.3490 0.1554000      2.698000  
1 1 1 4  15 5  o 42.340  1.1860 -0.8707000E-01 2.372000  
1 1 1 4  15 6  o 32.050  1.5490 -2.781000      3.099000  
1 1 1 4  15 7  o 27.910  1.7720 -1.923000      3.544000  
1 1 1 4  15 8  o 18.560  2.7350 6.660000       5.470000  
1 1 1 4  15 9  f 12.160  2.8840 -10.36000      5.768000  
1 1 1 4  15 10 f 12.750  3.1610 -5.893000      6.323000  
1 1 1 4  15 11 o 21.580  2.6400 6.966000       5.281000  
1 1 1 4  15 12 o 26.230  2.0640 -0.8015000     4.129000  
1 1 1 4  15 13 o 44.320  1.2900 0.6027000      2.581000  
1 1 1 4  15 14 o 37.850  1.5530 -1.360000      3.107000  
1 1 1 4  15 15 f 8.5520  2.6710 0.6826000      5.342000  
1 1 1 4  15 16 o 8.6350  2.6960 -1.593000      5.391000  
1 1 1 4  15 17 o 10.600  2.8970 -2.092000      5.794000  
1 1 1 4  15 18 o 22.680  2.3260 -6.099000      4.653000  
1 1 1 4  15 19 o 17.500  2.7720 2.498000       5.543000  
1 1 1 4  15 20 o 12.140  3.1100 -1.336000      6.220000  
1 1 1 4  15 21 o 13.610  3.1490 0.8877000E-01  6.299000  
1 1 1 4  15 22 o 32.080  1.6230 0.1777000      3.245000  
1 1 1 4  15 23 o 10.810  3.0110 -0.5000000     6.022000  
1 1 1 4  15 24 o 14.340  2.9980 -4.781000      5.996000  
1 1 1 4  15 25 o 11.650  2.8990 -5.347000      5.798000  
1 1 1 4  15 26 o 9.7900  2.7950 -3.734000      5.590000  
1 1 1 4  16 0  o 37.700  1.9830 -0.000000      0.000000  
1 1 1 4  16 1  o 36.920  1.4840 -1.119000      2.969000  
1 1 1 4  16 2  o 59.700  1.1660 -2.654000      2.331000  
1 1 1 4  16 3  o 93.740  0.8833 0.3220000      1.767000  
1 1 1 4  16 4  o 67.570  0.9952 -2.445000      1.990000  
1 1 1 4  16 5  o 42.720  1.4000 0.8958000      2.800000  
1 1 1 4  16 6  o 49.050  1.1420 -2.937000      2.285000  
1 1 1 4  16 7  o 31.420  1.7190 -1.109000      3.438000  
1 1 1 4  16 8  o 23.040  2.4630 5.063000       4.926000  
1 1 1 4  16 9  o 24.180  2.1750 -2.564000      4.349000  
1 1 1 4  16 10 o 33.410  1.6780 -1.920000      3.356000  
1 1 1 4  16 11 o 63.190  1.0550 -0.4014000     2.109000  
1 1 1 4  16 12 o 30.470  1.9350 4.465000       3.869000  
1 1 1 4  16 13 o 51.760  1.1960 0.2081000E-01  2.393000  
1 1 1 4  16 14 o 22.280  2.5690 0.7219000E-01  5.138000  
1 1 1 4  16 15 o 29.290  1.7840 7.043000       3.567000  
1 1 1 4  16 16 o 27.050  2.0020 -2.704000      4.004000  
1 1 1 4  16 17 o 21.240  2.2980 -0.8725000     4.597000  
1 1 1 4  16 18 o 8.7340  2.7590 -0.2136000     5.519000  
1 1 1 4  16 19 o 9.1050  2.7600 -2.913000      5.519000  
1 1 1 4  16 20 o 14.990  2.9070 8.770000       5.815000  
1 1 1 4  16 21 o 16.010  2.9840 -2.475000      5.968000  
1 1 1 4  16 22 o 10.460  2.9750 2.357000       5.950000  
1 1 1 4  16 23 o 14.790  3.0300 2.194000       6.060000  
1 1 1 4  16 24 o 8.8490  2.7560 2.558000       5.511000  
1 1 1 4  16 25 o 9.7480  3.3780 2.590000       6.756000  
1 1 1 4  17 0  f 14.610  5.5720 -0.000000      0.000000  
1 1 1 4  17 1  o 33.760  1.6490 2.124000       3.298000  
1 1 1 4  17 2  o 48.860  1.1940 -0.1505000E-01 2.387000  
1 1 1 4  17 3  o 49.410  1.1920 -2.001000      2.383000  
1 1 1 4  17 4  o 24.360  2.2140 1.709000       4.428000  
1 1 1 4  17 5  o 26.230  2.0710 0.7211000E-01  4.142000  
1 1 1 4  17 6  o 40.280  1.4230 4.043000       2.847000  
1 1 1 4  17 7  o 51.280  1.1680 -0.4392000     2.336000  
1 1 1 4  17 8  o 41.920  1.3440 -1.857000      2.688000  
1 1 1 4  17 9  o 43.110  1.3460 -1.615000      2.693000  
1 1 1 4  17 10 o 48.300  1.2730 -3.274000      2.546000  
1 1 1 4  17 11 o 31.120  1.8430 4.444000       3.686000  
1 1 1 4  17 12 o 33.670  1.7720 0.5920000      3.544000  
1 1 1 4  17 13 o 34.920  1.7130 -0.9587000     3.427000  
1 1 1 4  17 14 o 15.680  3.0480 -12.94000      6.096000  
1 1 1 4  17 15 o 9.9930  2.9720 0.3863000      5.944000  
1 1 1 4  17 16 o 20.910  2.5930 5.741000       5.185000  
1 1 1 4  17 17 o 9.6750  2.8800 2.446000       5.760000  
1 1 1 4  17 18 o 10.060  2.9220 2.253000       5.844000  
1 1 1 4  17 19 o 28.390  1.7770 0.1520000      3.554000  
1 1 1 4  17 20 o 12.280  3.0550 1.204000       6.111000  
1 1 1 4  17 21 o 10.400  2.9450 3.687000       5.889000  
1 1 1 4  17 22 o 7.2810  2.4290 -0.2708000     4.858000  
1 1 1 4  18 0  o 8.5920  5.0170 -0.000000      0.000000  
1 1 1 4  18 1  o 24.980  2.2010 1.507000       4.401000  
1 1 1 4  18 2  f 69.340  0.9857 3.048000       1.971000  
1 1 1 4  18 3  o 42.750  1.3810 8.402000       2.762000  
1 1 1 4  18 4  o 52.580  1.1590 1.812000       2.318000  
1 1 1 4  18 5  o 38.970  1.4680 0.4325000      2.937000  
1 1 1 4  18 6  o 23.190  2.4720 2.874000       4.944000  
1 1 1 4  18 7  o 25.970  2.2130 1.892000       4.427000  
1 1 1 4  18 8  o 30.190  1.8380 0.3469000      3.676000  
1 1 1 4  18 9  o 19.770  2.8330 -2.776000      5.667000  
1 1 1 4  18 10 o 19.460  2.8510 5.088000       5.703000  
1 1 1 4  18 11 o 16.390  3.0070 5.443000       6.014000  
1 1 1 4  18 12 o 10.990  3.0950 1.118000       6.189000  
1 1 1 4  18 13 o 19.860  2.8460 0.2688000      5.691000  
1 1 1 4  18 14 o 7.4930  2.5170 -0.2051000     5.033000  
1 1 1 4  18 15 o 14.220  3.2570 -7.512000      6.515000  
1 1 1 4  18 16 o 11.280  3.0730 0.4793000      6.147000  
1 1 1 4  18 17 o 9.8600  2.8570 -2.836000      5.713000  
1 1 1 4  18 18 o 12.700  3.0530 -0.2927000     6.106000  
1 1 1 4  18 19 o 6.8260  2.3060 0.2920000      4.611000  
1 1 1 4  18 20 o 10.260  2.8680 2.941000       5.736000  
1 1 1 4  19 0  o 39.130  1.9600 -0.000000      0.000000  
1 1 1 4  19 1  o 22.750  2.3350 -1.235000      4.670000  
1 1 1 4  19 2  o 19.560  2.7400 -1.794000      5.480000  
1 1 1 4  19 3  o 17.510  2.9550 7.313000       5.909000  
1 1 1 4  19 4  o 24.200  2.2850 -3.400000      4.569000  
1 1 1 4  19 5  o 14.380  3.1250 -3.456000      6.251000  
1 1 1 4  19 6  o 9.7990  3.0170 -0.1163000     6.034000  
1 1 1 4  19 7  o 12.320  3.1760 -0.1482000     6.352000  
1 1 1 4  19 8  o 11.600  3.0780 -5.003000      6.156000  
1 1 1 4  19 9  o 15.470  3.0580 1.585000       6.116000  
1 1 1 4  19 10 o 34.640  1.5380 0.6431000      3.076000  
1 1 1 4  19 11 o 17.870  2.9780 2.903000       5.956000  
1 1 1 4  19 12 o 17.160  2.7590 7.823000       5.519000  
1 1 1 4  19 13 o 18.130  2.8330 4.895000       5.666000  
1 1 1 4  19 14 o 11.830  2.9480 3.436000       5.895000  
1 1 1 4  19 15 o 20.130  2.5380 1.973000       5.075000  
1 1 1 4  19 16 o 9.0810  2.7170 0.5803000E-01  5.435000  
1 1 1 4  19 17 o 9.5850  2.7720 1.911000       5.544000  
1 1 1 4  20 0  o 29.760  2.4780 -0.000000      0.000000  
1 1 1 4  20 1  o 14.240  2.7890 -9.967000      5.578000  
1 1 1 4  20 2  o 10.140  2.9420 2.462000       5.883000  
1 1 1 4  20 3  o 14.300  2.9030 8.243000       5.806000  
1 1 1 4  20 4  o 28.240  1.7470 -0.4601000     3.493000  
1 1 1 4  20 5  o 21.000  2.3160 2.961000       4.633000  
1 1 1 4  20 6  o 13.540  2.9930 -3.291000      5.986000  
1 1 1 4  20 7  o 8.6740  2.5390 3.997000       5.079000  
1 1 1 4  20 8  o 12.000  3.0410 -0.8021000     6.081000  
1 1 1 4  20 9  o 12.870  2.8030 5.002000       5.605000  
1 1 1 4  20 10 o 8.5850  2.6300 1.063000       5.260000  
1 1 1 4  20 11 o 19.450  2.5700 -6.382000      5.140000  
1 1 1 4  20 12 f 10.500  2.8450 1.760000       5.690000  
1 1 1 4  20 13 o 8.7580  2.5480 4.016000       5.097000  
1 1 1 4  21 0  o 10.970  4.8380 -0.000000      0.000000  
1 1 1 4  21 1  o 8.7700  2.5990 1.576000       5.198000  
1 1 1 4  21 2  o 7.7180  2.4200 1.748000       4.841000  
1 1 1 4  21 3  o 8.3630  2.5390 -0.6226000     5.078000  
1 1 1 4  21 4  o 9.6290  2.5840 4.576000       5.168000  
1 1 1 4  21 5  o 9.5040  2.6330 3.710000       5.266000  
1 1 1 4  21 6  o 21.660  1.8500 -3.092000      3.701000  
1 1 1 4  21 7  o 8.0870  2.5330 3.013000       5.066000  
1 1 1 5  0  1  f 89.650  0.8706 -0.000000      0.000000  
1 1 1 5  0  2  o 49.660  0.7045 -0.000000      0.000000  
1 1 1 5  0  3  o 12.120  2.2990 -0.000000      0.000000  
1 1 1 5  0  4  o 172.700 1.5570 -0.000000      0.000000  
1 1 1 5  0  5  o 63.400  0.7693 -0.000000      0.000000  
1 1 1 5  0  6  o 15.180  1.8790 -0.000000      0.000000  
1 1 1 5  0  7  o 50.320  0.7804 -0.000000      0.000000  
1 1 1 5  0  8  o 66.180  0.8858 -0.000000      0.000000  
1 1 1 5  0  9  o 146.800 1.3440 -0.000000      0.000000  
1 1 1 5  0  10 o 27.890  1.1650 -0.000000      0.000000  
1 1 1 5  0  11 o 158.400 1.4440 -0.000000      0.000000  
1 1 1 5  0  12 o 47.220  0.8569 -0.000000      0.000000  
1 1 1 5  0  13 o 5.8650  3.4270 -0.000000      0.000000  
1 1 1 5  0  14 o 70.180  0.8671 -0.000000      0.000000  
1 1 1 5  0  15 o 73.310  0.8608 -0.000000      0.000000  
1 1 1 5  0  16 o 46.250  0.9508 -0.000000      0.000000  
1 1 1 5  0  17 o 38.420  1.1110 -0.000000      0.000000  
1 1 1 5  0  18 o 7.3820  3.9910 -0.000000      0.000000  
1 1 1 5  0  19 o 35.410  1.2110 -0.000000      0.000000  
1 1 1 5  0  20 o 15.910  2.8930 -0.000000      0.000000  
1 1 1 5  0  21 f 47.100  1.1300 -0.000000      0.000000  
1 1 1 5  0  22 o 39.780  1.3470 -0.000000      0.000000  
1 1 1 5  0  23 o 20.520  2.7220 -0.000000      0.000000  
1 1 1 5  0  24 o 105.000 1.1190 -0.000000      0.000000  
1 1 1 5  0  25 o 84.260  1.0740 -0.000000      0.000000  
1 1 1 5  0  26 o 3.6760  2.6660 -0.000000      0.000000  
1 1 1 5  0  27 o 44.170  1.3890 -0.000000      0.000000  
1 1 1 5  0  28 o 40.700  1.5120 -0.000000      0.000000  
1 1 1 5  0  29 o 27.690  2.2310 -0.000000      0.000000  
1 1 1 5  0  30 o 31.250  2.1690 -0.000000      0.000000  
1 1 1 5  0  31 o 54.730  1.3250 -0.000000      0.000000  
1 1 1 5  0  32 o 4.1390  2.9790 -0.000000      0.000000  
1 1 1 5  0  33 o 4.8290  3.4130 -0.000000      0.000000  
1 1 1 5  0  34 o 7.7900  4.6880 -0.000000      0.000000  
1 1 1 5  0  35 o 33.230  2.2360 -0.000000      0.000000  
1 1 1 5  0  36 o 5.3140  3.7470 -0.000000      0.000000  
1 1 1 5  1  0  o 5.5880  3.1260 -0.000000      0.000000  
1 1 1 5  1  1  o 70.390  0.5252 -1.642000      1.050000  
1 1 1 5  1  2  o 27.270  0.6581 -0.4845000E-02 1.316000  
1 1 1 5  1  3  o 95.590  0.6528 -0.2650000     1.306000  
1 1 1 5  1  4  o 106.900 0.7182 0.2700000      1.436000  
1 1 1 5  1  5  o 86.680  0.6415 0.3155000      1.283000  
1 1 1 5  1  6  o 85.180  0.6435 -2.644000      1.287000  
1 1 1 5  1  7  o 29.640  0.7061 -1.018000      1.412000  
1 1 1 5  1  8  o 43.310  0.6206 0.7016000      1.241000  
1 1 1 5  1  9  o 71.170  0.5648 -0.2143000     1.130000  
1 1 1 5  1  10 o 38.030  0.6259 0.8178000      1.252000  
1 1 1 5  1  11 o 93.540  0.6661 0.3303000      1.332000  
1 1 1 5  1  12 o 81.030  0.6194 -1.832000      1.239000  
1 1 1 5  1  13 o 37.370  0.7164 -3.154000      1.433000  
1 1 1 5  1  14 o 92.950  0.6754 -0.3487000E-02 1.351000  
1 1 1 5  1  15 o 25.790  1.0150 2.058000       2.030000  
1 1 1 5  1  16 o 23.700  1.1380 -0.5081000     2.277000  
1 1 1 5  1  17 f 46.710  0.7051 0.9552000E-01  1.410000  
1 1 1 5  1  18 o 96.510  0.7088 -1.075000      1.418000  
1 1 1 5  1  19 o 37.840  0.8802 1.893000       1.760000  
1 1 1 5  1  20 o 109.600 0.7812 1.935000       1.562000  
1 1 1 5  1  21 o 64.610  0.7005 -1.273000      1.401000  
1 1 1 5  1  22 o 102.500 0.7671 -2.443000      1.534000  
1 1 1 5  1  23 o 62.830  0.7530 0.3437000E-01  1.506000  
1 1 1 5  1  24 o 40.660  1.0010 1.934000       2.003000  
1 1 1 5  1  25 o 18.630  2.2090 6.796000       4.419000  
1 1 1 5  1  26 o 17.240  2.4500 3.857000       4.901000  
1 1 1 5  1  27 o 10.840  2.6500 5.733000       5.300000  
1 1 1 5  1  28 o 47.610  0.9363 -0.3682000     1.873000  
1 1 1 5  1  29 o 7.9480  2.4750 4.714000       4.949000  
1 1 1 5  1  30 o 10.530  2.8800 0.2776000      5.759000  
1 1 1 5  1  31 o 11.070  2.9080 2.608000       5.816000  
1 1 1 5  1  32 o 6.9770  2.3450 -0.3669000     4.689000  
1 1 1 5  1  33 o 33.430  1.4440 0.8891000      2.889000  
1 1 1 5  1  34 o 46.590  1.1410 0.5420000E-01  2.282000  
1 1 1 5  1  35 o 10.400  2.9720 -3.169000      5.945000  
1 1 1 5  1  36 o 21.670  2.6540 -0.3045000     5.309000  
1 1 1 5  2  0  o 32.430  0.9081 -0.000000      0.000000  
1 1 1 5  2  1  o 113.700 0.7483 0.1724000      1.497000  
1 1 1 5  2  2  o 70.460  0.5344 -0.5545000     1.069000  
1 1 1 5  2  3  o 72.590  0.5497 -1.106000      1.099000  
1 1 1 5  2  4  o 23.920  0.8155 1.445000       1.631000  
1 1 1 5  2  5  o 78.820  0.6066 0.4695000      1.213000  
1 1 1 5  2  6  o 74.540  0.5677 0.2456000E-01  1.135000  
1 1 1 5  2  7  o 33.980  0.6335 1.012000       1.267000  
1 1 1 5  2  8  o 27.420  0.7452 -0.7861000E-01 1.490000  
1 1 1 5  2  9  o 55.480  0.5536 -0.3987000     1.107000  
1 1 1 5  2  10 o 54.570  0.5465 0.3543000      1.093000  
1 1 1 5  2  11 o 120.800 0.8039 -0.1558000     1.608000  
1 1 1 5  2  12 o 69.150  0.5819 -0.2224000     1.164000  
1 1 1 5  2  13 o 36.690  0.6897 -0.5359000     1.379000  
1 1 1 5  2  14 o 34.820  0.7444 -0.1199000     1.489000  
1 1 1 5  2  15 o 54.940  0.6183 0.5669000      1.237000  
1 1 1 5  2  16 o 48.640  0.6727 -1.748000      1.345000  
1 1 1 5  2  17 o 44.500  0.7275 0.6731000      1.455000  
1 1 1 5  2  18 o 75.600  0.6579 -0.4624000     1.316000  
1 1 1 5  2  19 o 78.380  0.6675 -0.9223000     1.335000  
1 1 1 5  2  20 o 41.190  0.8519 -0.3332000     1.704000  
1 1 1 5  2  21 o 11.100  2.5730 0.8192000      5.146000  
1 1 1 5  2  22 o 9.7580  2.6010 -1.717000      5.202000  
1 1 1 5  2  23 f 66.350  0.7490 1.990000       1.498000  
1 1 1 5  2  24 o 28.490  1.4020 3.389000       2.803000  
1 1 1 5  2  25 o 29.080  1.3780 4.210000       2.755000  
1 1 1 5  2  26 o 34.940  1.2270 -1.002000      2.455000  
1 1 1 5  2  27 o 37.300  1.1330 -0.9721000     2.266000  
1 1 1 5  2  28 o 25.460  1.7340 -3.092000      3.468000  
1 1 1 5  2  29 o 10.790  2.8490 0.4941000      5.698000  
1 1 1 5  2  30 o 17.630  2.5650 4.761000       5.131000  
1 1 1 5  2  31 o 12.050  2.9280 0.9824000E-02  5.856000  
1 1 1 5  2  32 o 16.880  2.7470 1.355000       5.494000  
1 1 1 5  2  33 o 12.160  2.6760 9.066000       5.352000  
1 1 1 5  2  34 o 8.3240  2.6660 1.204000       5.333000  
1 1 1 5  2  35 o 10.290  3.0010 1.652000       6.003000  
1 1 1 5  2  36 o 9.1560  2.8860 -0.8460000     5.772000  
1 1 1 5  3  0  o 121.000 1.1190 -0.000000      0.000000  
1 1 1 5  3  1  f 31.130  0.5257 -2.546000      1.051000  
1 1 1 5  3  2  o 46.720  0.4852 0.7990000      0.9705000 
1 1 1 5  3  3  o 33.030  0.5830 2.291000       1.166000  
1 1 1 5  3  4  o 51.010  0.5577 2.409000       1.115000  
1 1 1 5  3  5  o 54.770  0.5062 3.096000       1.012000  
1 1 1 5  3  6  o 79.240  0.5888 -0.7871000     1.178000  
1 1 1 5  3  7  o 26.140  0.6895 1.349000       1.379000  
1 1 1 5  3  8  o 54.020  0.5223 -2.304000      1.045000  
1 1 1 5  3  9  o 100.000 0.7102 1.227000       1.420000  
1 1 1 5  3  10 o 20.930  0.9603 -0.9666000     1.921000  
1 1 1 5  3  11 o 41.320  0.6341 3.943000       1.268000  
1 1 1 5  3  12 o 46.000  0.6038 0.3717000      1.208000  
1 1 1 5  3  13 o 45.950  0.6160 1.308000       1.232000  
1 1 1 5  3  14 o 61.000  0.6073 0.2753000      1.215000  
1 1 1 5  3  15 o 38.510  0.7408 -0.4013000     1.482000  
1 1 1 5  3  16 o 67.400  0.6331 0.6384000E-01  1.266000  
1 1 1 5  3  17 o 48.500  0.6988 1.085000       1.398000  
1 1 1 5  3  18 o 15.620  1.9710 6.119000       3.943000  
1 1 1 5  3  19 o 28.630  1.1240 -2.481000      2.248000  
1 1 1 5  3  20 o 20.740  1.6070 -1.445000      3.215000  
1 1 1 5  3  21 o 29.330  1.3520 -0.1564000     2.704000  
1 1 1 5  3  22 o 26.630  1.3730 -0.5737000     2.746000  
1 1 1 5  3  23 o 40.260  0.9946 -1.602000      1.989000  
1 1 1 5  3  24 f 46.170  0.9306 -1.502000      1.861000  
1 1 1 5  3  25 o 46.020  0.9403 -2.492000      1.881000  
1 1 1 5  3  26 o 32.990  1.2290 2.495000       2.458000  
1 1 1 5  3  27 o 39.600  1.0370 -1.668000      2.074000  
1 1 1 5  3  28 o 21.110  2.0600 5.522000       4.120000  
1 1 1 5  3  29 o 22.640  1.8960 3.116000       3.793000  
1 1 1 5  3  30 o 45.530  1.0540 -2.938000      2.108000  
1 1 1 5  3  31 o 17.310  2.6720 1.856000       5.345000  
1 1 1 5  3  32 o 53.220  0.9801 0.5343000      1.960000  
1 1 1 5  3  33 o 16.420  2.6300 -11.61000      5.261000  
1 1 1 5  3  34 o 14.190  2.5600 -11.68000      5.120000  
1 1 1 5  3  35 o 19.380  2.7280 -4.404000      5.456000  
1 1 1 5  3  36 o 12.860  3.2820 1.424000       6.565000  
1 1 1 5  4  0  o 51.960  0.6592 -0.000000      0.000000  
1 1 1 5  4  1  o 17.590  0.7084 -2.273000      1.417000  
1 1 1 5  4  2  o 61.490  0.5541 -1.007000      1.108000  
1 1 1 5  4  3  o 105.700 0.7360 1.466000       1.472000  
1 1 1 5  4  4  o 65.200  0.5153 -1.413000      1.031000  
1 1 1 5  4  5  o 117.700 0.7809 -3.104000      1.562000  
1 1 1 5  4  6  o 49.520  0.4895 1.684000       0.9790000 
1 1 1 5  4  7  o 104.900 0.8073 -0.2113000     1.615000  
1 1 1 5  4  8  o 16.530  1.0570 2.244000       2.115000  
1 1 1 5  4  9  o 48.660  0.5462 0.5472000      1.092000  
1 1 1 5  4  10 o 22.900  0.8815 2.300000       1.763000  
1 1 1 5  4  11 o 38.160  0.6309 0.9104000      1.262000  
1 1 1 5  4  12 o 50.860  0.6103 -0.5813000     1.221000  
1 1 1 5  4  13 o 45.800  0.6295 -0.3699000     1.259000  
1 1 1 5  4  14 o 11.320  2.1580 -5.405000      4.316000  
1 1 1 5  4  15 o 69.460  0.6268 0.4896000      1.254000  
1 1 1 5  4  16 o 20.610  1.4040 3.223000       2.808000  
1 1 1 5  4  17 o 52.900  0.6810 -2.632000      1.362000  
1 1 1 5  4  18 o 82.750  0.6898 1.399000       1.380000  
1 1 1 5  4  19 o 18.740  1.6950 0.9996000      3.389000  
1 1 1 5  4  20 f 31.880  1.1130 4.485000       2.226000  
1 1 1 5  4  21 o 21.850  1.6460 -2.176000      3.292000  
1 1 1 5  4  22 f 46.750  0.8890 -1.494000      1.778000  
1 1 1 5  4  23 o 53.560  0.8498 0.2361000      1.700000  
1 1 1 5  4  24 o 32.100  1.2720 -1.806000      2.545000  
1 1 1 5  4  25 o 39.470  1.1000 2.530000       2.200000  
1 1 1 5  4  26 o 33.840  1.2310 1.467000       2.461000  
1 1 1 5  4  27 o 18.800  2.3320 4.293000       4.663000  
1 1 1 5  4  28 o 13.550  2.8570 3.794000       5.714000  
1 1 1 5  4  29 o 19.650  2.2500 2.846000       4.501000  
1 1 1 5  4  30 o 22.570  1.9730 2.420000       3.947000  
1 1 1 5  4  31 o 50.300  0.9736 -0.3565000     1.947000  
1 1 1 5  4  32 o 10.740  2.7420 7.212000       5.483000  
1 1 1 5  4  33 o 11.570  3.0310 -1.638000      6.063000  
1 1 1 5  4  34 o 10.680  2.8620 -5.417000      5.723000  
1 1 1 5  4  35 o 11.720  3.1070 -2.938000      6.214000  
1 1 1 5  4  36 o 12.200  3.1840 -7.399000      6.368000  
1 1 1 5  5  0  o 40.100  0.7671 -0.000000      0.000000  
1 1 1 5  5  1  o 80.630  0.6906 0.8295000      1.381000  
1 1 1 5  5  2  o 69.680  0.7497 -2.192000      1.499000  
1 1 1 5  5  3  o 109.100 0.7581 2.947000       1.516000  
1 1 1 5  5  4  o 13.840  0.7837 1.046000       1.567000  
1 1 1 5  5  5  o 7.7000  1.4020 -4.608000      2.804000  
1 1 1 5  5  6  f 62.830  0.5287 -0.8997000     1.057000  
1 1 1 5  5  7  o 68.590  0.5588 1.380000       1.118000  
1 1 1 5  5  8  o 58.940  0.5461 1.180000       1.092000  
1 1 1 5  5  9  o 54.740  0.5521 -1.587000      1.104000  
1 1 1 5  5  10 o 60.670  0.5630 0.2269000      1.126000  
1 1 1 5  5  11 o 44.520  0.6048 1.753000       1.210000  
1 1 1 5  5  12 o 64.410  0.5995 0.5441000      1.199000  
1 1 1 5  5  13 o 124.700 0.8670 0.2503000      1.734000  
1 1 1 5  5  14 o 99.110  0.7176 -1.007000      1.435000  
1 1 1 5  5  15 o 76.030  0.6439 0.2931000      1.288000  
1 1 1 5  5  16 o 45.080  0.7229 -0.2567000     1.446000  
1 1 1 5  5  17 o 87.480  0.6946 0.7816000      1.389000  
1 1 1 5  5  18 o 76.640  0.6684 -0.5233000     1.337000  
1 1 1 5  5  19 o 62.980  0.7182 -1.596000      1.436000  
1 1 1 5  5  20 o 129.900 0.8996 1.812000       1.799000  
1 1 1 5  5  21 o 27.900  1.3450 -2.531000      2.691000  
1 1 1 5  5  22 o 75.880  0.7364 -1.090000      1.473000  
1 1 1 5  5  23 o 12.350  2.7420 4.441000       5.483000  
1 1 1 5  5  24 o 43.950  1.0130 -4.078000      2.026000  
1 1 1 5  5  25 o 25.120  1.6660 2.450000       3.333000  
1 1 1 5  5  26 o 49.510  0.9407 1.485000       1.881000  
1 1 1 5  5  27 o 38.910  1.1870 0.6117000      2.373000  
1 1 1 5  5  28 o 17.460  2.5370 -2.523000      5.075000  
1 1 1 5  5  29 o 17.990  2.4920 0.5551000      4.984000  
1 1 1 5  5  30 o 21.040  2.1720 -0.4549000     4.344000  
1 1 1 5  5  31 o 11.240  2.8850 -3.512000      5.769000  
1 1 1 5  5  32 o 16.110  2.7460 0.5363000E-01  5.492000  
1 1 1 5  5  33 f 13.450  2.9720 -2.901000      5.945000  
1 1 1 5  5  34 o 8.3210  2.6530 -1.511000      5.305000  
1 1 1 5  5  35 o 11.910  3.1360 -3.633000      6.272000  
1 1 1 5  6  0  o 20.520  3.1360 -0.000000      0.000000  
1 1 1 5  6  1  o 24.970  0.5451 -5.490000      1.090000  
1 1 1 5  6  2  o 50.200  0.5794 1.839000       1.159000  
1 1 1 5  6  3  o 47.670  0.4432 1.164000       0.8864000 
1 1 1 5  6  4  o 52.610  0.4751 -0.5887000     0.9502000 
1 1 1 5  6  5  o 41.290  0.4482 0.7881000      0.8964000 
1 1 1 5  6  6  o 52.190  0.5022 0.6629000      1.004000  
1 1 1 5  6  7  o 46.160  0.5136 -0.7010000     1.027000  
1 1 1 5  6  8  o 64.090  0.5622 -0.1620000     1.124000  
1 1 1 5  6  9  o 26.740  0.7711 -3.745000      1.542000  
1 1 1 5  6  10 o 66.360  0.6170 0.1319000      1.234000  
1 1 1 5  6  11 o 24.300  0.9426 6.424000       1.885000  
1 1 1 5  6  12 o 38.500  0.6864 0.5496000      1.373000  
1 1 1 5  6  13 o 13.060  1.9070 4.611000       3.815000  
1 1 1 5  6  14 o 60.260  0.6502 0.9299000      1.300000  
1 1 1 5  6  15 o 12.440  2.1760 3.216000       4.352000  
1 1 1 5  6  16 o 54.920  0.6734 0.1498000E-01  1.347000  
1 1 1 5  6  17 o 12.840  2.2570 3.686000       4.513000  
1 1 1 5  6  18 f 41.770  0.8279 -1.454000      1.656000  
1 1 1 5  6  19 o 24.880  1.3900 0.1632000E-01  2.780000  
1 1 1 5  6  20 o 147.300 0.9909 -0.8596000     1.982000  
1 1 1 5  6  21 o 92.360  0.7611 0.6430000      1.522000  
1 1 1 5  6  22 o 35.500  1.1690 -4.907000      2.339000  
1 1 1 5  6  23 o 63.850  0.7921 2.289000       1.584000  
1 1 1 5  6  24 o 27.830  1.5830 -5.074000      3.166000  
1 1 1 5  6  25 o 6.7060  2.2540 -1.108000      4.507000  
1 1 1 5  6  26 f 22.200  1.9970 -3.342000      3.995000  
1 1 1 5  6  27 o 12.200  2.8930 2.866000       5.786000  
1 1 1 5  6  28 o 39.540  1.1840 -1.896000      2.368000  
1 1 1 5  6  29 o 16.740  2.6230 7.500000       5.246000  
1 1 1 5  6  30 o 14.590  2.7280 8.999000       5.456000  
1 1 1 5  6  31 o 7.9100  2.5620 -0.4972000     5.123000  
1 1 1 5  6  32 o 22.740  2.2140 -0.8788000     4.428000  
1 1 1 5  6  33 o 23.920  2.0500 4.697000       4.100000  
1 1 1 5  6  34 o 8.8060  2.6800 -4.134000      5.360000  
1 1 1 5  6  35 o 20.250  2.8200 -5.792000      5.640000  
1 1 1 5  7  0  f 50.810  0.8782 -0.000000      0.000000  
1 1 1 5  7  1  o 85.030  0.9039 -1.433000      1.808000  
1 1 1 5  7  2  o 32.810  0.4669 0.2158000      0.9338000 
1 1 1 5  7  3  o 32.240  0.4341 0.7052000      0.8681000 
1 1 1 5  7  4  o 20.850  0.6012 0.3488000      1.202000  
1 1 1 5  7  5  f 49.160  0.4864 0.2867000      0.9728000 
1 1 1 5  7  6  o 23.510  0.6584 0.1050000      1.317000  
1 1 1 5  7  7  o 41.840  0.5320 -1.259000      1.064000  
1 1 1 5  7  8  o 57.020  0.5665 -0.2192000     1.133000  
1 1 1 5  7  9  f 96.640  0.7069 -1.688000      1.414000  
1 1 1 5  7  10 o 86.730  0.6707 0.6025000      1.341000  
1 1 1 5  7  11 o 30.810  0.8112 -1.423000      1.622000  
1 1 1 5  7  12 f 45.460  0.6574 1.219000       1.315000  
1 1 1 5  7  13 o 92.880  0.7162 -2.411000      1.432000  
1 1 1 5  7  14 o 27.840  1.0140 0.1156000      2.028000  
1 1 1 5  7  15 o 60.220  0.6823 1.750000       1.365000  
1 1 1 5  7  16 o 42.410  0.8200 -0.3257000     1.640000  
1 1 1 5  7  17 o 62.870  0.6964 -0.2366000     1.393000  
1 1 1 5  7  18 f 67.560  0.7143 0.7522000      1.429000  
1 1 1 5  7  19 o 19.770  1.8720 -1.108000      3.744000  
1 1 1 5  7  20 f 96.550  0.7625 1.620000       1.525000  
1 1 1 5  7  21 o 14.420  2.5220 -5.481000      5.044000  
1 1 1 5  7  22 o 50.510  0.8780 -1.180000      1.756000  
1 1 1 5  7  23 o 64.850  0.7949 2.075000       1.590000  
1 1 1 5  7  24 o 34.170  1.2400 -0.7918000     2.481000  
1 1 1 5  7  25 o 42.820  1.0510 -0.8828000E-01 2.102000  
1 1 1 5  7  26 o 18.170  2.4800 -6.985000      4.961000  
1 1 1 5  7  27 o 44.220  1.0720 0.1918000E-01  2.144000  
1 1 1 5  7  28 o 24.560  1.8480 -1.003000      3.697000  
1 1 1 5  7  29 o 25.730  1.7330 -1.734000      3.466000  
1 1 1 5  7  30 o 16.500  2.7150 5.469000       5.431000  
1 1 1 5  7  31 o 16.630  2.8020 3.115000       5.604000  
1 1 1 5  7  32 f 14.110  2.9650 -3.781000      5.930000  
1 1 1 5  7  33 o 9.2520  2.8100 1.189000       5.621000  
1 1 1 5  7  34 o 10.250  2.9400 -3.562000      5.879000  
1 1 1 5  8  0  o 27.310  0.6974 -0.000000      0.000000  
1 1 1 5  8  1  o 15.110  0.9743 1.984000       1.949000  
1 1 1 5  8  2  o 29.230  0.5529 -1.280000      1.106000  
1 1 1 5  8  3  o 22.250  0.6623 1.541000       1.325000  
1 1 1 5  8  4  o 18.530  0.7751 -1.456000      1.550000  
1 1 1 5  8  5  o 28.900  0.5841 1.859000       1.168000  
1 1 1 5  8  6  o 79.960  0.6196 0.8652000      1.239000  
1 1 1 5  8  7  o 12.140  1.6230 -1.597000      3.246000  
1 1 1 5  8  8  o 25.640  0.8324 2.937000       1.665000  
1 1 1 5  8  9  o 113.500 0.7922 1.019000       1.584000  
1 1 1 5  8  10 o 76.970  0.6502 -0.8550000     1.300000  
1 1 1 5  8  11 o 10.630  2.1040 -3.880000      4.209000  
1 1 1 5  8  12 o 24.520  1.0750 -1.059000      2.150000  
1 1 1 5  8  13 f 53.700  0.6595 -1.999000      1.319000  
1 1 1 5  8  14 o 71.460  0.6787 -3.274000      1.357000  
1 1 1 5  8  15 o 66.150  0.6866 -3.344000      1.373000  
1 1 1 5  8  16 o 18.860  1.8160 -3.183000      3.632000  
1 1 1 5  8  17 o 63.610  0.7394 0.8147000      1.479000  
1 1 1 5  8  18 o 36.090  0.9811 -1.749000      1.962000  
1 1 1 5  8  19 o 21.910  1.6940 3.129000       3.388000  
1 1 1 5  8  20 o 29.620  1.3060 1.873000       2.611000  
1 1 1 5  8  21 o 51.690  0.8352 0.1432000      1.670000  
1 1 1 5  8  22 o 24.620  1.6690 0.3474000      3.338000  
1 1 1 5  8  23 o 33.440  1.2480 4.390000       2.497000  
1 1 1 5  8  24 o 24.900  1.7140 -5.175000      3.427000  
1 1 1 5  8  25 o 8.2960  2.5450 3.926000       5.091000  
1 1 1 5  8  26 o 22.940  1.8580 -4.121000      3.715000  
1 1 1 5  8  27 o 17.340  2.4880 -5.274000      4.976000  
1 1 1 5  8  28 o 15.840  2.7660 1.425000       5.532000  
1 1 1 5  8  29 o 13.780  2.9680 1.308000       5.935000  
1 1 1 5  8  30 o 9.5620  2.8170 -2.115000      5.633000  
1 1 1 5  8  31 o 11.510  3.0020 3.537000       6.003000  
1 1 1 5  8  32 o 7.0050  2.3660 1.275000       4.731000  
1 1 1 5  8  33 o 12.810  2.9800 -7.546000      5.960000  
1 1 1 5  8  34 x ?       ?      ?              ?         
1 1 1 5  9  0  o 26.650  1.4250 -0.000000      0.000000  
1 1 1 5  9  1  o 45.740  0.6030 2.861000       1.206000  
1 1 1 5  9  2  o 66.260  0.6241 -1.131000      1.248000  
1 1 1 5  9  3  o 94.180  0.7211 -1.161000      1.442000  
1 1 1 5  9  4  o 46.800  0.5989 -1.628000      1.198000  
1 1 1 5  9  5  o 56.820  0.5581 0.2062000      1.116000  
1 1 1 5  9  6  o 22.000  0.9120 -1.864000      1.824000  
1 1 1 5  9  7  o 21.270  1.0030 -0.8492000     2.007000  
1 1 1 5  9  8  o 46.120  0.6329 0.1396000E-01  1.266000  
1 1 1 5  9  9  o 45.520  0.6636 1.961000       1.327000  
1 1 1 5  9  10 o 26.700  1.0140 -2.145000      2.027000  
1 1 1 5  9  11 o 57.380  0.6717 0.7961000      1.343000  
1 1 1 5  9  12 o 91.870  0.8040 0.7333000      1.608000  
1 1 1 5  9  13 f 9.7690  2.3150 5.039000       4.631000  
1 1 1 5  9  14 o 7.0990  2.2010 2.632000       4.403000  
1 1 1 5  9  15 o 37.350  0.9326 -0.5522000     1.865000  
1 1 1 5  9  16 o 90.040  0.7640 0.8198000      1.528000  
1 1 1 5  9  17 o 14.850  2.2010 -11.32000      4.402000  
1 1 1 5  9  18 o 71.160  0.8155 2.383000       1.631000  
1 1 1 5  9  19 o 17.000  2.4750 -5.249000      4.950000  
1 1 1 5  9  20 o 13.140  2.7320 -2.996000      5.464000  
1 1 1 5  9  21 o 49.860  0.9079 -0.4657000     1.816000  
1 1 1 5  9  22 o 37.020  1.1840 -2.306000      2.368000  
1 1 1 5  9  23 o 29.540  1.4360 1.086000       2.872000  
1 1 1 5  9  24 o 27.570  1.7320 -4.716000      3.463000  
1 1 1 5  9  25 o 23.590  1.8410 -1.526000      3.682000  
1 1 1 5  9  26 o 10.780  2.8510 4.715000       5.701000  
1 1 1 5  9  27 o 14.120  2.7340 -5.433000      5.469000  
1 1 1 5  9  28 o 10.880  2.9140 0.9518000      5.828000  
1 1 1 5  9  29 o 36.660  1.2870 0.4485000      2.574000  
1 1 1 5  9  30 o 13.370  2.9980 4.048000       5.996000  
1 1 1 5  9  31 o 25.140  1.9840 -4.848000      3.968000  
1 1 1 5  9  32 o 10.090  2.8930 3.583000       5.787000  
1 1 1 5  9  33 o 15.000  3.0670 1.159000       6.134000  
1 1 1 5  10 0  o 101.500 1.1790 -0.000000      0.000000  
1 1 1 5  10 1  o 117.300 0.9906 2.720000       1.981000  
1 1 1 5  10 2  o 27.000  1.0140 -1.834000      2.029000  
1 1 1 5  10 3  o 50.500  0.6698 -0.6369000     1.340000  
1 1 1 5  10 4  o 71.030  0.6683 -2.504000      1.337000  
1 1 1 5  10 5  o 64.090  0.6760 -3.475000      1.352000  
1 1 1 5  10 6  o 12.680  1.8330 -2.775000      3.665000  
1 1 1 5  10 7  o 65.230  0.6376 -2.271000      1.275000  
1 1 1 5  10 8  o 50.000  0.6889 0.1204000      1.378000  
1 1 1 5  10 9  o 70.250  0.6906 -1.083000      1.381000  
1 1 1 5  10 10 o 97.260  0.7906 -0.1786000     1.581000  
1 1 1 5  10 11 o 51.450  0.7417 0.5491000      1.483000  
1 1 1 5  10 12 o 71.840  0.7421 -1.404000      1.484000  
1 1 1 5  10 13 o 45.930  0.8077 -0.1940000     1.615000  
1 1 1 5  10 14 o 114.900 0.8557 -0.5836000     1.711000  
1 1 1 5  10 15 o 31.780  1.1290 7.190000       2.257000  
1 1 1 5  10 16 o 34.980  1.0670 -1.114000      2.134000  
1 1 1 5  10 17 o 39.360  1.0500 -3.124000      2.101000  
1 1 1 5  10 18 o 34.670  1.1890 1.089000       2.378000  
1 1 1 5  10 19 o 37.920  1.1280 -1.434000      2.256000  
1 1 1 5  10 20 o 41.840  1.0580 4.078000       2.116000  
1 1 1 5  10 21 o 21.560  1.9080 -3.463000      3.815000  
1 1 1 5  10 22 o 21.230  1.9980 2.784000       3.996000  
1 1 1 5  10 23 o 7.0990  2.3340 -0.2124000     4.668000  
1 1 1 5  10 24 o 9.1500  2.6860 -1.624000      5.372000  
1 1 1 5  10 25 o 32.520  1.3500 1.662000       2.699000  
1 1 1 5  10 26 o 15.510  2.6500 -6.213000      5.300000  
1 1 1 5  10 27 o 20.030  2.3260 3.738000       4.653000  
1 1 1 5  10 28 o 16.490  2.6670 -0.2048000     5.334000  
1 1 1 5  10 29 o 28.110  1.6500 1.430000       3.300000  
1 1 1 5  10 30 f 12.790  2.9200 1.961000       5.839000  
1 1 1 5  10 31 o 14.100  2.8960 -4.094000      5.791000  
1 1 1 5  10 32 o 13.380  2.6210 11.95000       5.243000  
1 1 1 5  11 0  o 59.980  1.0350 -0.000000      0.000000  
1 1 1 5  11 1  o 119.100 0.9206 0.2703000      1.841000  
1 1 1 5  11 2  o 22.600  1.3760 -0.4588000     2.753000  
1 1 1 5  11 3  o 75.990  0.7135 0.4074000      1.427000  
1 1 1 5  11 4  f 54.230  0.7108 -1.654000      1.422000  
1 1 1 5  11 5  o 98.920  0.7908 0.7873000      1.582000  
1 1 1 5  11 6  o 71.430  0.7168 -1.730000      1.434000  
1 1 1 5  11 7  o 28.080  1.1270 -0.3465000     2.253000  
1 1 1 5  11 8  o 85.310  0.7215 -0.7861000     1.443000  
1 1 1 5  11 9  o 49.640  0.7578 1.030000       1.516000  
1 1 1 5  11 10 o 35.230  0.9813 2.300000       1.963000  
1 1 1 5  11 11 o 72.370  0.7295 -1.807000      1.459000  
1 1 1 5  11 12 f 30.000  1.1490 -2.186000      2.299000  
1 1 1 5  11 13 o 24.530  1.5340 6.882000       3.068000  
1 1 1 5  11 14 o 115.500 0.8746 2.322000       1.749000  
1 1 1 5  11 15 o 41.360  0.9842 0.5310000      1.968000  
1 1 1 5  11 16 o 33.030  1.2130 5.268000       2.427000  
1 1 1 5  11 17 o 70.470  0.7914 -1.870000      1.583000  
1 1 1 5  11 18 o 26.840  1.5590 -0.5008000     3.117000  
1 1 1 5  11 19 o 20.340  2.2280 6.940000       4.455000  
1 1 1 5  11 20 o 60.760  0.8985 0.6360000E-01  1.797000  
1 1 1 5  11 21 o 20.550  2.3210 -5.151000      4.642000  
1 1 1 5  11 22 o 9.1420  2.7440 2.707000       5.487000  
1 1 1 5  11 23 o 9.0040  2.7730 -0.6544000     5.547000  
1 1 1 5  11 24 o 12.970  2.9160 -5.474000      5.832000  
1 1 1 5  11 25 o 15.090  2.9780 -3.387000      5.955000  
1 1 1 5  11 26 f 12.710  3.1040 2.537000       6.208000  
1 1 1 5  11 27 o 30.030  1.6690 0.1045000      3.338000  
1 1 1 5  11 28 o 9.9390  2.9440 -1.581000      5.889000  
1 1 1 5  11 29 f 11.370  2.5900 9.829000       5.180000  
1 1 1 5  11 30 o 8.9610  2.7340 -0.8735000     5.469000  
1 1 1 5  11 31 o 9.1110  2.7400 3.146000       5.479000  
1 1 1 5  12 0  o 29.060  1.8170 -0.000000      0.000000  
1 1 1 5  12 1  f 86.150  0.7424 -1.730000      1.485000  
1 1 1 5  12 2  o 17.780  1.9760 -1.770000      3.952000  
1 1 1 5  12 3  o 87.910  0.7840 -1.535000      1.568000  
1 1 1 5  12 4  o 123.100 0.9147 2.208000       1.829000  
1 1 1 5  12 5  o 105.600 0.8444 3.525000       1.689000  
1 1 1 5  12 6  o 74.640  0.7847 -0.7621000     1.569000  
1 1 1 5  12 7  f 81.740  0.7905 -0.2878000     1.581000  
1 1 1 5  12 8  o 40.700  0.9751 1.278000       1.950000  
1 1 1 5  12 9  o 51.200  0.7955 -0.4896000     1.591000  
1 1 1 5  12 10 o 75.830  0.7498 1.803000       1.500000  
1 1 1 5  12 11 o 112.800 0.8525 2.359000       1.705000  
1 1 1 5  12 12 o 25.630  1.5070 -4.972000      3.015000  
1 1 1 5  12 13 o 69.270  0.7785 -0.2043000     1.557000  
1 1 1 5  12 14 o 52.470  0.8625 4.646000       1.725000  
1 1 1 5  12 15 o 10.040  2.6870 3.256000       5.375000  
1 1 1 5  12 16 o 13.680  2.7210 1.479000       5.442000  
1 1 1 5  12 17 o 27.220  1.5240 2.586000       3.048000  
1 1 1 5  12 18 o 87.170  0.8273 0.9725000      1.655000  
1 1 1 5  12 19 o 31.850  1.4440 4.008000       2.888000  
1 1 1 5  12 20 o 54.510  0.9487 1.212000       1.897000  
1 1 1 5  12 21 o 19.960  2.4320 -2.942000      4.864000  
1 1 1 5  12 22 o 38.210  1.2540 -2.698000      2.508000  
1 1 1 5  12 23 o 12.040  3.0840 2.280000       6.168000  
1 1 1 5  12 24 o 20.840  2.2530 2.397000       4.506000  
1 1 1 5  12 25 o 13.300  2.9950 0.6401000E-01  5.990000  
1 1 1 5  12 26 o 15.550  2.7040 -7.985000      5.408000  
1 1 1 5  12 27 o 11.550  2.8730 4.487000       5.745000  
1 1 1 5  12 28 o 22.500  2.0700 -1.982000      4.140000  
1 1 1 5  12 29 o 8.1930  2.6050 0.7685000      5.209000  
1 1 1 5  12 30 o 8.5550  2.8480 -0.6869000     5.696000  
1 1 1 5  13 0  o 88.520  1.0890 -0.000000      0.000000  
1 1 1 5  13 1  o 55.190  0.8238 0.9288000      1.648000  
1 1 1 5  13 2  o 74.930  0.7746 -2.338000      1.549000  
1 1 1 5  13 3  o 55.120  0.8338 -5.682000      1.668000  
1 1 1 5  13 4  o 59.700  0.8089 -3.702000      1.618000  
1 1 1 5  13 5  o 45.580  0.9545 -0.6001000     1.909000  
1 1 1 5  13 6  o 21.060  1.9700 1.070000       3.941000  
1 1 1 5  13 7  o 32.880  1.3300 2.954000       2.660000  
1 1 1 5  13 8  o 51.330  0.9534 2.031000       1.907000  
1 1 1 5  13 9  o 68.680  0.8367 -1.047000      1.673000  
1 1 1 5  13 10 o 84.920  0.8694 1.294000       1.739000  
1 1 1 5  13 11 o 68.620  0.8026 -0.6623000     1.605000  
1 1 1 5  13 12 o 27.210  1.5010 2.376000       3.001000  
1 1 1 5  13 13 o 41.450  1.0610 1.508000       2.123000  
1 1 1 5  13 14 o 39.200  1.1280 0.4436000      2.257000  
1 1 1 5  13 15 o 25.850  1.5620 2.086000       3.124000  
1 1 1 5  13 16 o 57.690  0.8790 0.9973000E-01  1.758000  
1 1 1 5  13 17 o 59.680  0.8789 -1.091000      1.758000  
1 1 1 5  13 18 o 35.220  1.2800 -1.952000      2.561000  
1 1 1 5  13 19 o 21.980  1.9590 3.018000       3.919000  
1 1 1 5  13 20 o 24.010  1.8420 -1.861000      3.684000  
1 1 1 5  13 21 o 9.8030  2.6710 -5.396000      5.342000  
1 1 1 5  13 22 o 22.240  2.0860 1.991000       4.172000  
1 1 1 5  13 23 o 7.2190  2.4190 2.797000       4.838000  
1 1 1 5  13 24 o 13.870  2.2610 -14.47000      4.523000  
1 1 1 5  13 25 o 9.7210  2.9030 3.251000       5.806000  
1 1 1 5  13 26 f 16.960  2.7760 -0.6943000     5.551000  
1 1 1 5  13 27 o 11.320  2.9690 1.702000       5.938000  
1 1 1 5  13 28 o 12.240  2.9500 -2.792000      5.901000  
1 1 1 5  14 0  o 35.290  1.8590 -0.000000      0.000000  
1 1 1 5  14 1  o 79.390  0.8428 1.455000       1.686000  
1 1 1 5  14 2  o 70.020  0.8651 4.804000       1.730000  
1 1 1 5  14 3  o 71.590  0.8349 1.849000       1.670000  
1 1 1 5  14 4  o 50.080  1.0670 -0.3530000     2.133000  
1 1 1 5  14 5  o 90.190  0.8478 -0.4751000E-01 1.696000  
1 1 1 5  14 6  o 52.440  0.9692 -2.522000      1.938000  
1 1 1 5  14 7  o 14.720  2.8570 0.4831000      5.714000  
1 1 1 5  14 8  o 49.430  0.9945 -0.5785000     1.989000  
1 1 1 5  14 9  o 42.280  1.1580 0.2728000      2.316000  
1 1 1 5  14 10 o 34.880  1.3640 -2.302000      2.727000  
1 1 1 5  14 11 o 35.310  1.2970 -0.1930000     2.593000  
1 1 1 5  14 12 o 10.410  2.6910 4.235000       5.381000  
1 1 1 5  14 13 o 27.450  1.5420 -0.3762000     3.083000  
1 1 1 5  14 14 o 22.330  2.0030 5.667000       4.006000  
1 1 1 5  14 15 o 56.590  0.8939 -3.115000      1.788000  
1 1 1 5  14 16 o 31.890  1.3640 -0.2199000     2.728000  
1 1 1 5  14 17 o 46.070  1.0530 1.620000       2.107000  
1 1 1 5  14 18 o 20.460  2.2610 -1.350000      4.522000  
1 1 1 5  14 19 o 11.430  2.8950 -3.328000      5.790000  
1 1 1 5  14 20 o 8.7330  2.6910 2.561000       5.382000  
1 1 1 5  14 21 o 28.980  1.6610 9.168000       3.322000  
1 1 1 5  14 22 o 28.080  1.6950 2.418000       3.389000  
1 1 1 5  14 23 o 11.140  3.0640 -0.8246000E-01 6.128000  
1 1 1 5  14 24 o 9.9020  2.8740 -1.920000      5.748000  
1 1 1 5  14 25 o 19.240  2.6720 1.143000       5.344000  
1 1 1 5  14 26 o 10.440  2.9810 0.7977000E-01  5.962000  
1 1 1 5  14 27 o 14.990  2.8820 7.501000       5.764000  
1 1 1 5  15 0  o 14.460  5.0450 -0.000000      0.000000  
1 1 1 5  15 1  o 22.540  2.1040 0.9363000      4.208000  
1 1 1 5  15 2  o 65.500  0.8967 1.008000       1.793000  
1 1 1 5  15 3  o 52.920  1.1050 -0.5182000     2.210000  
1 1 1 5  15 4  o 66.870  0.9168 -1.339000      1.834000  
1 1 1 5  15 5  o 30.700  1.5740 0.5612000      3.147000  
1 1 1 5  15 6  o 33.640  1.4450 -0.9977000     2.891000  
1 1 1 5  15 7  o 39.590  1.2840 0.2670000E-02  2.569000  
1 1 1 5  15 8  f 14.840  2.8940 3.988000       5.788000  
1 1 1 5  15 9  o 51.020  1.1110 0.8759000      2.223000  
1 1 1 5  15 10 o 56.930  1.0240 -3.313000      2.049000  
1 1 1 5  15 11 o 23.100  2.3710 9.197000       4.741000  
1 1 1 5  15 12 o 56.980  1.0160 2.216000       2.032000  
1 1 1 5  15 13 o 30.430  1.6340 -1.474000      3.268000  
1 1 1 5  15 14 f 8.5440  2.6580 -1.878000      5.315000  
1 1 1 5  15 15 o 19.780  2.3060 7.186000       4.612000  
1 1 1 5  15 16 o 44.990  1.1080 -2.252000      2.216000  
1 1 1 5  15 17 o 25.690  1.8350 -2.335000      3.669000  
1 1 1 5  15 18 o 10.330  2.8400 4.492000       5.679000  
1 1 1 5  15 19 o 10.670  2.8630 -3.302000      5.726000  
1 1 1 5  15 20 o 10.690  2.9670 1.153000       5.934000  
1 1 1 5  15 21 o 12.770  2.9580 5.225000       5.916000  
1 1 1 5  15 22 o 7.7690  2.5390 1.171000       5.078000  
1 1 1 5  15 23 o 15.690  2.8440 -6.033000      5.688000  
1 1 1 5  15 24 o 10.270  2.9690 2.722000       5.937000  
1 1 1 5  15 25 o 16.390  2.9170 -5.361000      5.834000  
1 1 1 5  16 0  o 33.920  2.1500 -0.000000      0.000000  
1 1 1 5  16 1  o 42.730  1.2280 1.703000       2.456000  
1 1 1 5  16 2  o 80.450  0.8783 -0.1995000     1.757000  
1 1 1 5  16 3  o 43.690  1.2160 1.606000       2.433000  
1 1 1 5  16 4  o 35.330  1.4520 -2.658000      2.904000  
1 1 1 5  16 5  o 28.700  1.7320 -2.207000      3.463000  
1 1 1 5  16 6  o 22.510  2.3900 4.617000       4.779000  
1 1 1 5  16 7  o 29.230  1.8230 1.533000       3.645000  
1 1 1 5  16 8  o 34.320  1.5280 0.3436000      3.056000  
1 1 1 5  16 9  o 9.4490  2.7130 3.897000       5.426000  
1 1 1 5  16 10 o 33.010  1.6380 0.6465000      3.276000  
1 1 1 5  16 11 o 56.010  1.0630 2.380000       2.127000  
1 1 1 5  16 12 o 42.020  1.2830 1.797000       2.566000  
1 1 1 5  16 13 o 44.820  1.2800 4.357000       2.561000  
1 1 1 5  16 14 o 31.950  1.6430 -1.350000      3.286000  
1 1 1 5  16 15 o 32.270  1.5140 0.2106000      3.028000  
1 1 1 5  16 16 o 33.730  1.4300 1.761000       2.859000  
1 1 1 5  16 17 o 26.280  1.8040 2.190000       3.609000  
1 1 1 5  16 18 o 8.6880  2.6980 4.150000       5.395000  
1 1 1 5  16 19 o 10.360  2.9120 1.153000       5.824000  
1 1 1 5  16 20 f 24.640  2.0670 -6.352000      4.134000  
1 1 1 5  16 21 o 11.030  2.8400 -4.323000      5.681000  
1 1 1 5  16 22 o 11.330  3.0050 -0.8712000     6.010000  
1 1 1 5  16 23 o 19.590  2.5600 3.879000       5.119000  
1 1 1 5  17 0  o 12.200  5.4520 -0.000000      0.000000  
1 1 1 5  17 1  o 24.290  2.2510 6.465000       4.501000  
1 1 1 5  17 2  o 39.370  1.3770 -4.816000      2.755000  
1 1 1 5  17 3  o 50.950  1.1220 -3.308000      2.245000  
1 1 1 5  17 4  o 38.050  1.5400 -1.600000      3.080000  
1 1 1 5  17 5  o 16.770  2.9460 -1.982000      5.892000  
1 1 1 5  17 6  o 57.090  1.0350 -1.084000      2.069000  
1 1 1 5  17 7  o 23.320  2.5600 10.63000       5.120000  
1 1 1 5  17 8  o 17.580  2.9490 -1.800000      5.897000  
1 1 1 5  17 9  o 9.2300  2.8560 -1.538000      5.713000  
1 1 1 5  17 10 o 14.010  2.8190 7.128000       5.638000  
1 1 1 5  17 11 o 11.580  3.2060 -1.690000      6.411000  
1 1 1 5  17 12 o 22.000  2.4600 -6.106000      4.920000  
1 1 1 5  17 13 o 21.300  2.4930 -6.092000      4.985000  
1 1 1 5  17 14 o 15.590  2.8470 7.649000       5.693000  
1 1 1 5  17 15 o 10.220  2.8860 2.318000       5.771000  
1 1 1 5  17 16 o 7.7570  2.5180 2.439000       5.037000  
1 1 1 5  17 17 o 19.680  2.3960 5.490000       4.792000  
1 1 1 5  17 18 o 10.630  2.9360 -0.7914000E-01 5.873000  
1 1 1 5  17 19 o 12.750  3.0290 1.593000       6.057000  
1 1 1 5  17 20 o 9.3430  2.8150 3.736000       5.630000  
1 1 1 5  17 21 o 8.5150  2.6760 2.018000       5.352000  
1 1 1 5  18 0  o 18.260  4.6070 -0.000000      0.000000  
1 1 1 5  18 1  o 21.530  2.4800 -4.315000      4.960000  
1 1 1 5  18 2  o 44.260  1.2950 -1.432000      2.590000  
1 1 1 5  18 3  o 25.770  2.1430 7.872000       4.286000  
1 1 1 5  18 4  o 14.370  3.0080 7.904000       6.016000  
1 1 1 5  18 5  o 11.180  3.0320 -7.533000      6.063000  
1 1 1 5  18 6  o 41.670  1.2750 -1.034000      2.550000  
1 1 1 5  18 7  o 16.820  2.7700 7.951000       5.540000  
1 1 1 5  18 8  o 26.310  2.0440 1.195000       4.089000  
1 1 1 5  18 9  o 20.880  2.4680 -4.608000      4.935000  
1 1 1 5  18 10 f 17.260  2.8490 0.6791000      5.698000  
1 1 1 5  18 11 o 8.4090  2.6870 -0.7844000E-01 5.373000  
1 1 1 5  18 12 o 18.960  2.7380 5.817000       5.476000  
1 1 1 5  18 13 o 19.080  2.6960 2.247000       5.392000  
1 1 1 5  18 14 o 22.320  2.3730 4.969000       4.746000  
1 1 1 5  18 15 o 12.140  3.0120 -5.627000      6.024000  
1 1 1 5  18 16 o 12.590  3.0690 -0.9971000     6.137000  
1 1 1 5  18 17 o 9.1820  2.7290 0.8355000      5.459000  
1 1 1 5  18 18 o 9.0740  2.6640 2.287000       5.328000  
1 1 1 5  19 0  f 23.810  2.9740 -0.000000      0.000000  
1 1 1 5  19 1  f 25.810  1.8650 -3.026000      3.731000  
1 1 1 5  19 2  o 13.190  2.8960 -6.293000      5.792000  
1 1 1 5  19 3  o 28.960  1.7040 -1.046000      3.409000  
1 1 1 5  19 4  o 29.710  1.5690 1.285000       3.139000  
1 1 1 5  19 5  o 20.250  2.4350 3.594000       4.871000  
1 1 1 5  19 6  o 18.780  2.5050 -3.077000      5.010000  
1 1 1 5  19 7  o 7.1310  2.3930 -0.8708000     4.786000  
1 1 1 5  19 8  o 16.620  2.8160 -0.8441000     5.632000  
1 1 1 5  19 9  o 12.960  3.0370 -3.838000      6.075000  
1 1 1 5  19 10 o 10.480  2.8900 0.3501000      5.780000  
1 1 1 5  19 11 o 10.340  2.8800 -0.8368000     5.760000  
1 1 1 5  19 12 o 24.920  1.8580 -2.849000      3.717000  
1 1 1 5  19 13 o 9.6690  2.8150 -5.261000      5.630000  
1 1 1 5  19 14 o 12.650  2.8230 1.795000       5.645000  
1 1 1 5  19 15 o 12.140  2.8970 -3.795000      5.794000  
1 1 1 5  20 0  o 10.830  4.8170 -0.000000      0.000000  
1 1 1 5  20 1  o 9.6210  2.6990 -3.237000      5.398000  
1 1 1 5  20 2  o 10.580  2.8260 1.124000       5.653000  
1 1 1 5  20 3  o 8.6040  2.6440 0.4549000      5.289000  
1 1 1 5  20 4  o 12.700  2.9510 -1.101000      5.902000  
1 1 1 5  20 5  o 7.6200  2.4760 -0.4084000     4.953000  
1 1 1 5  20 6  o 7.7850  2.5030 -3.247000      5.006000  
1 1 1 5  20 7  o 9.1560  2.5950 1.335000       5.190000  
1 1 1 5  20 8  o 26.450  1.5570 -0.6853000     3.114000  
1 1 1 5  20 9  o 15.050  2.4210 8.090000       4.842000  
1 1 1 5  20 10 o 13.420  2.8270 -0.1180000     5.654000  
1 1 1 6  0  0  o 86.760  1.2440 -0.000000      0.000000  
1 1 1 6  0  1  o 89.470  0.8959 -0.000000      0.000000  
1 1 1 6  0  2  o 34.970  0.9298 -0.000000      0.000000  
1 1 1 6  0  3  o 78.460  0.8471 -0.000000      0.000000  
1 1 1 6  0  4  o 95.770  0.9645 -0.000000      0.000000  
1 1 1 6  0  5  f 32.140  1.1530 -0.000000      0.000000  
1 1 1 6  0  6  o 56.950  0.8441 -0.000000      0.000000  
1 1 1 6  0  7  o 90.670  0.9281 -0.000000      0.000000  
1 1 1 6  0  8  o 16.320  2.2140 -0.000000      0.000000  
1 1 1 6  0  9  o 157.300 1.4460 -0.000000      0.000000  
1 1 1 6  0  10 o 63.560  0.8496 -0.000000      0.000000  
1 1 1 6  0  11 o 16.410  2.3050 -0.000000      0.000000  
1 1 1 6  0  12 o 61.290  0.8787 -0.000000      0.000000  
1 1 1 6  0  13 o 38.620  1.1190 -0.000000      0.000000  
1 1 1 6  0  14 o 62.790  0.9119 -0.000000      0.000000  
1 1 1 6  0  15 o 10.860  4.0830 -0.000000      0.000000  
1 1 1 6  0  16 o 126.100 1.2170 -0.000000      0.000000  
1 1 1 6  0  17 o 22.490  1.9890 -0.000000      0.000000  
1 1 1 6  0  18 o 49.980  1.0280 -0.000000      0.000000  
1 1 1 6  0  19 o 23.910  1.9340 -0.000000      0.000000  
1 1 1 6  0  20 o 14.480  3.8410 -0.000000      0.000000  
1 1 1 6  0  21 o 25.200  2.0000 -0.000000      0.000000  
1 1 1 6  0  22 o 117.400 1.1900 -0.000000      0.000000  
1 1 1 6  0  23 o 70.340  1.0620 -0.000000      0.000000  
1 1 1 6  0  24 o 37.780  1.5930 -0.000000      0.000000  
1 1 1 6  0  25 o 64.620  1.1100 -0.000000      0.000000  
1 1 1 6  0  26 o 5.9080  3.8710 -0.000000      0.000000  
1 1 1 6  0  27 o 33.750  1.8180 -0.000000      0.000000  
1 1 1 6  0  28 f 5.3010  3.6190 -0.000000      0.000000  
1 1 1 6  0  29 o 7.7570  4.6330 -0.000000      0.000000  
1 1 1 6  0  30 f 27.920  2.3580 -0.000000      0.000000  
1 1 1 6  0  31 f 34.880  1.9680 -0.000000      0.000000  
1 1 1 6  0  32 o 7.7440  4.7130 -0.000000      0.000000  
1 1 1 6  0  33 o 21.400  3.6440 -0.000000      0.000000  
1 1 1 6  0  34 f 7.3850  4.5960 -0.000000      0.000000  
1 1 1 6  0  35 o 23.450  3.6770 -0.000000      0.000000  
1 1 1 6  1  0  f 46.420  0.7614 -0.000000      0.000000  
1 1 1 6  1  1  o 63.100  0.5374 -0.7367000     1.075000  
1 1 1 6  1  2  o 99.180  0.6838 -2.121000      1.368000  
1 1 1 6  1  3  o 33.590  0.7041 0.5980000      1.408000  
1 1 1 6  1  4  o 62.460  0.5682 -1.500000      1.136000  
1 1 1 6  1  5  o 65.150  0.5905 -0.7474000     1.181000  
1 1 1 6  1  6  o 41.250  0.6977 -1.893000      1.395000  
1 1 1 6  1  7  o 28.670  0.9777 0.4918000      1.955000  
1 1 1 6  1  8  o 22.440  1.1070 0.3454000      2.215000  
1 1 1 6  1  9  f 33.700  0.7971 -1.421000      1.594000  
1 1 1 6  1  10 o 60.010  0.6378 -0.3273000     1.276000  
1 1 1 6  1  11 o 51.540  0.6201 -1.258000      1.240000  
1 1 1 6  1  12 o 60.730  0.6202 0.6836000      1.240000  
1 1 1 6  1  13 o 52.230  0.6467 -0.4278000     1.293000  
1 1 1 6  1  14 o 32.650  0.8730 -1.857000      1.746000  
1 1 1 6  1  15 o 62.130  0.6466 0.7609000      1.293000  
1 1 1 6  1  16 o 38.630  0.8273 -3.850000      1.655000  
1 1 1 6  1  17 o 67.310  0.6676 -1.435000      1.335000  
1 1 1 6  1  18 o 81.340  0.6873 0.9507000E-01  1.375000  
1 1 1 6  1  19 o 75.650  0.6887 1.296000       1.377000  
1 1 1 6  1  20 o 22.630  1.5760 0.2851000      3.152000  
1 1 1 6  1  21 o 51.220  0.8049 0.1067000      1.610000  
1 1 1 6  1  22 o 41.340  0.9789 1.763000       1.958000  
1 1 1 6  1  23 o 38.280  1.1200 -1.782000      2.239000  
1 1 1 6  1  24 o 107.100 0.8216 0.2838000      1.643000  
1 1 1 6  1  25 o 35.570  1.2140 -0.9124000     2.429000  
1 1 1 6  1  26 o 57.580  0.8534 -0.3072000     1.707000  
1 1 1 6  1  27 o 42.630  1.0710 2.437000       2.141000  
1 1 1 6  1  28 o 47.750  0.9934 1.848000       1.987000  
1 1 1 6  1  29 o 9.0420  2.6980 2.857000       5.397000  
1 1 1 6  1  30 o 10.560  2.8320 3.897000       5.664000  
1 1 1 6  1  31 o 10.210  2.8440 -3.445000      5.688000  
1 1 1 6  1  32 o 21.050  2.3990 -2.627000      4.798000  
1 1 1 6  1  33 o 12.630  2.8030 -9.015000      5.606000  
1 1 1 6  1  34 o 30.570  1.6710 -0.9706000     3.342000  
1 1 1 6  1  35 o 17.700  3.1320 4.050000       6.264000  
1 1 1 6  2  0  o 28.180  1.0250 -0.000000      0.000000  
1 1 1 6  2  1  o 90.260  0.6435 -2.423000      1.287000  
1 1 1 6  2  2  o 13.310  1.5920 3.694000       3.185000  
1 1 1 6  2  3  o 71.330  0.5802 1.561000       1.160000  
1 1 1 6  2  4  o 45.060  0.6096 -2.466000      1.219000  
1 1 1 6  2  5  o 79.960  0.6390 2.173000       1.278000  
1 1 1 6  2  6  o 6.8240  2.0460 -1.383000      4.091000  
1 1 1 6  2  7  o 97.550  0.7311 -1.429000      1.462000  
1 1 1 6  2  8  o 18.030  1.2650 -0.3706000E-01 2.531000  
1 1 1 6  2  9  o 12.770  1.8660 0.6509000      3.731000  
1 1 1 6  2  10 o 15.820  1.5470 0.2508000      3.094000  
1 1 1 6  2  11 o 47.760  0.6610 1.320000       1.322000  
1 1 1 6  2  12 o 74.110  0.6249 -0.2912000     1.250000  
1 1 1 6  2  13 o 73.200  0.6240 -0.2261000     1.248000  
1 1 1 6  2  14 o 96.800  0.7092 -1.675000      1.418000  
1 1 1 6  2  15 o 51.340  0.6889 1.037000       1.378000  
1 1 1 6  2  16 f 69.050  0.6492 0.3056000      1.298000  
1 1 1 6  2  17 o 50.450  0.7326 -0.5669000     1.465000  
1 1 1 6  2  18 o 47.830  0.7513 -0.7959000E-01 1.503000  
1 1 1 6  2  19 o 53.530  0.7472 -0.4808000     1.494000  
1 1 1 6  2  20 o 52.030  0.7960 0.1438000      1.592000  
1 1 1 6  2  21 o 57.140  0.7614 -0.1949000     1.523000  
1 1 1 6  2  22 o 28.960  1.3080 1.062000       2.615000  
1 1 1 6  2  23 o 47.700  0.9237 0.2174000      1.847000  
1 1 1 6  2  24 o 28.830  1.3790 3.334000       2.758000  
1 1 1 6  2  25 o 46.360  0.9424 -0.3807000     1.885000  
1 1 1 6  2  26 o 33.960  1.2220 -2.258000      2.444000  
1 1 1 6  2  27 o 37.650  1.1630 1.179000       2.327000  
1 1 1 6  2  28 o 15.340  2.7180 1.246000       5.436000  
1 1 1 6  2  29 o 30.210  1.4550 -1.583000      2.910000  
1 1 1 6  2  30 o 15.030  2.8930 -2.155000      5.786000  
1 1 1 6  2  31 o 15.620  2.7980 -5.844000      5.596000  
1 1 1 6  2  32 o 33.910  1.4720 -5.195000      2.945000  
1 1 1 6  2  33 o 8.9400  2.7380 2.682000       5.476000  
1 1 1 6  2  34 o 8.8570  2.7690 -0.4496000     5.539000  
1 1 1 6  2  35 o 7.8460  2.6220 -0.1551000     5.244000  
1 1 1 6  3  0  o 40.210  0.7958 -0.000000      0.000000  
1 1 1 6  3  1  o 67.640  0.5572 1.377000       1.114000  
1 1 1 6  3  2  o 34.280  0.8066 -3.897000      1.613000  
1 1 1 6  3  3  o 46.630  0.5713 -0.2069000     1.143000  
1 1 1 6  3  4  o 72.240  0.6092 0.2479000      1.218000  
1 1 1 6  3  5  o 91.310  0.6892 -0.6215000     1.378000  
1 1 1 6  3  6  o 50.030  0.6816 1.509000       1.363000  
1 1 1 6  3  7  o 61.070  0.5758 1.050000       1.152000  
1 1 1 6  3  8  o 46.560  0.6043 2.132000       1.209000  
1 1 1 6  3  9  o 39.150  0.6633 -0.6301000     1.327000  
1 1 1 6  3  10 o 79.380  0.6471 -0.7108000     1.294000  
1 1 1 6  3  11 o 71.810  0.6245 0.1654000      1.249000  
1 1 1 6  3  12 o 63.510  0.6298 0.3437000      1.260000  
1 1 1 6  3  13 f 88.610  0.7175 -0.7608000     1.435000  
1 1 1 6  3  14 o 40.230  0.7533 1.117000       1.507000  
1 1 1 6  3  15 o 55.490  0.6542 0.9858000      1.308000  
1 1 1 6  3  16 o 56.650  0.6620 1.758000       1.324000  
1 1 1 6  3  17 o 15.310  2.0360 -1.575000      4.073000  
1 1 1 6  3  18 o 8.6290  2.3890 1.259000       4.778000  
1 1 1 6  3  19 o 44.170  0.8429 0.1520000      1.686000  
1 1 1 6  3  20 o 51.530  0.8009 1.696000       1.602000  
1 1 1 6  3  21 o 29.770  1.2590 3.977000       2.519000  
1 1 1 6  3  22 o 43.660  0.9655 -2.729000      1.931000  
1 1 1 6  3  23 o 49.040  0.8942 -1.083000      1.788000  
1 1 1 6  3  24 o 36.710  1.1470 -1.212000      2.294000  
1 1 1 6  3  25 o 10.240  2.7390 3.169000       5.478000  
1 1 1 6  3  26 o 12.550  2.8730 5.156000       5.746000  
1 1 1 6  3  27 o 39.810  1.1550 -0.4148000     2.310000  
1 1 1 6  3  28 o 24.460  1.7880 -0.2679000     3.576000  
1 1 1 6  3  29 o 14.000  2.8330 6.251000       5.665000  
1 1 1 6  3  30 o 58.790  0.8792 -0.7361000     1.758000  
1 1 1 6  3  31 o 27.930  1.6780 -2.761000      3.355000  
1 1 1 6  3  32 o 9.8830  2.8700 -0.2652000     5.740000  
1 1 1 6  3  33 o 15.320  3.0290 0.7453000      6.059000  
1 1 1 6  3  34 o 8.4850  2.7210 0.1552000      5.441000  
1 1 1 6  3  35 o 14.530  3.2760 -2.906000      6.553000  
1 1 1 6  4  0  o 70.770  0.8041 -0.000000      0.000000  
1 1 1 6  4  1  o 27.340  0.6732 -2.281000      1.346000  
1 1 1 6  4  2  f 107.700 0.7354 -0.3382000     1.471000  
1 1 1 6  4  3  o 93.620  0.6941 -1.847000      1.388000  
1 1 1 6  4  4  o 68.180  0.5964 -0.6303000     1.193000  
1 1 1 6  4  5  o 33.360  0.7699 -3.384000      1.540000  
1 1 1 6  4  6  o 23.230  0.7986 0.8852000      1.597000  
1 1 1 6  4  7  o 71.700  0.6316 -1.832000      1.263000  
1 1 1 6  4  8  o 36.950  0.6345 0.7453000      1.269000  
1 1 1 6  4  9  o 66.740  0.6000 -1.122000      1.200000  
1 1 1 6  4  10 o 15.890  1.4270 1.652000       2.855000  
1 1 1 6  4  11 o 54.700  0.6168 -0.2838000     1.234000  
1 1 1 6  4  12 o 37.990  0.7254 1.253000       1.451000  
1 1 1 6  4  13 o 77.260  0.6607 0.6490000      1.321000  
1 1 1 6  4  14 o 34.310  0.8806 2.671000       1.761000  
1 1 1 6  4  15 o 22.950  1.2160 -1.616000      2.432000  
1 1 1 6  4  16 f 32.410  0.9414 -2.095000      1.883000  
1 1 1 6  4  17 o 44.040  0.7482 -1.168000      1.496000  
1 1 1 6  4  18 o 22.150  1.5510 5.032000       3.101000  
1 1 1 6  4  19 o 37.230  0.9930 -3.059000      1.986000  
1 1 1 6  4  20 o 36.460  1.0040 1.665000       2.008000  
1 1 1 6  4  21 o 23.450  1.6690 -2.246000      3.337000  
1 1 1 6  4  22 o 47.170  0.8972 1.859000       1.794000  
1 1 1 6  4  23 o 17.950  2.3750 4.163000       4.751000  
1 1 1 6  4  24 o 14.350  2.7100 -4.120000      5.421000  
1 1 1 6  4  25 o 40.910  1.0790 0.4821000      2.157000  
1 1 1 6  4  26 o 33.390  1.2990 -1.771000      2.598000  
1 1 1 6  4  27 o 27.380  1.6070 0.8140000      3.213000  
1 1 1 6  4  28 o 19.930  2.2590 -2.564000      4.518000  
1 1 1 6  4  29 o 49.120  1.0160 1.220000       2.033000  
1 1 1 6  4  30 o 14.390  2.8660 4.239000       5.732000  
1 1 1 6  4  31 o 29.430  1.7020 -5.172000      3.405000  
1 1 1 6  4  32 o 16.510  2.8460 -2.391000      5.692000  
1 1 1 6  4  33 o 10.650  2.9300 -4.229000      5.860000  
1 1 1 6  4  34 o 11.620  2.9530 6.689000       5.906000  
1 1 1 6  4  35 x ?       ?      ?              ?         
1 1 1 6  5  0  o 105.600 1.0320 -0.000000      0.000000  
1 1 1 6  5  1  o 83.490  0.6163 -3.225000      1.233000  
1 1 1 6  5  2  o 70.170  0.5857 -0.2906000     1.171000  
1 1 1 6  5  3  o 31.700  0.5736 -0.8034000     1.147000  
1 1 1 6  5  4  o 46.660  0.5486 -0.2348000     1.097000  
1 1 1 6  5  5  o 62.420  0.5396 1.836000       1.079000  
1 1 1 6  5  6  o 13.840  1.1830 -1.179000      2.365000  
1 1 1 6  5  7  o 80.740  0.6257 -0.2793000     1.251000  
1 1 1 6  5  8  o 23.670  0.8626 -0.1062000     1.725000  
1 1 1 6  5  9  o 23.390  0.9171 -3.507000      1.834000  
1 1 1 6  5  10 o 22.060  0.9861 0.3799000      1.972000  
1 1 1 6  5  11 o 40.300  0.6717 -4.758000      1.343000  
1 1 1 6  5  12 o 46.780  0.6546 1.119000       1.309000  
1 1 1 6  5  13 o 40.100  0.7364 1.135000       1.473000  
1 1 1 6  5  14 o 81.440  0.6895 0.3075000      1.379000  
1 1 1 6  5  15 o 66.620  0.6802 1.146000       1.360000  
1 1 1 6  5  16 o 52.010  0.6895 0.1985000      1.379000  
1 1 1 6  5  17 o 101.900 0.7649 1.553000       1.530000  
1 1 1 6  5  18 o 42.960  0.8605 0.1164000      1.721000  
1 1 1 6  5  19 o 55.580  0.7482 1.031000       1.496000  
1 1 1 6  5  20 o 27.920  1.3020 1.162000       2.603000  
1 1 1 6  5  21 o 37.750  1.0870 -5.029000      2.175000  
1 1 1 6  5  22 o 21.900  1.9840 -7.452000      3.968000  
1 1 1 6  5  23 o 58.740  0.8156 -0.8892000     1.631000  
1 1 1 6  5  24 o 22.050  1.9920 3.648000       3.984000  
1 1 1 6  5  25 o 27.340  1.5350 -0.8077000     3.070000  
1 1 1 6  5  26 o 33.760  1.3030 3.685000       2.606000  
1 1 1 6  5  27 o 20.780  2.2000 2.202000       4.399000  
1 1 1 6  5  28 f 28.670  1.5530 5.623000       3.106000  
1 1 1 6  5  29 o 18.120  2.7780 8.232000       5.556000  
1 1 1 6  5  30 f 28.140  1.7020 1.336000       3.403000  
1 1 1 6  5  31 o 11.540  2.7760 -7.114000      5.551000  
1 1 1 6  5  32 o 15.800  3.0150 2.229000       6.029000  
1 1 1 6  5  33 o 14.590  3.0310 5.209000       6.062000  
1 1 1 6  5  34 o 21.520  2.5100 0.5493000      5.021000  
1 1 1 6  6  0  o 57.320  1.4360 -0.000000      0.000000  
1 1 1 6  6  1  o 25.530  0.6476 -1.055000      1.295000  
1 1 1 6  6  2  o 92.220  0.8888 -2.171000      1.778000  
1 1 1 6  6  3  o 87.190  0.6678 -0.5315000     1.336000  
1 1 1 6  6  4  o 43.670  0.5495 -0.3777000     1.099000  
1 1 1 6  6  5  o 32.230  0.5038 -1.587000      1.008000  
1 1 1 6  6  6  f 31.830  0.5493 -0.1603000     1.099000  
1 1 1 6  6  7  o 35.520  0.5718 1.273000       1.144000  
1 1 1 6  6  8  o 19.870  0.9471 -0.8744000     1.894000  
1 1 1 6  6  9  o 90.950  0.6868 -0.9927000     1.374000  
1 1 1 6  6  10 o 53.710  0.6100 -0.3899000     1.220000  
1 1 1 6  6  11 f 69.000  0.6257 1.608000       1.251000  
1 1 1 6  6  12 o 44.780  0.6809 -2.464000      1.362000  
1 1 1 6  6  13 o 136.100 0.9440 0.4610000      1.888000  
1 1 1 6  6  14 o 34.120  0.9068 1.535000       1.814000  
1 1 1 6  6  15 o 29.490  1.0490 3.107000       2.099000  
1 1 1 6  6  16 o 62.570  0.7217 0.4019000      1.443000  
1 1 1 6  6  17 o 29.430  1.1700 -2.387000      2.339000  
1 1 1 6  6  18 o 65.770  0.7178 -0.2514000     1.436000  
1 1 1 6  6  19 o 46.510  0.8512 -1.986000      1.702000  
1 1 1 6  6  20 o 70.660  0.8405 4.441000       1.681000  
1 1 1 6  6  21 o 60.960  0.7828 -0.1849000     1.566000  
1 1 1 6  6  22 o 28.350  1.4320 2.066000       2.864000  
1 1 1 6  6  23 o 35.820  1.1650 0.4793000      2.331000  
1 1 1 6  6  24 o 30.460  1.4630 -8.299000      2.925000  
1 1 1 6  6  25 f 26.210  1.8000 -7.474000      3.600000  
1 1 1 6  6  26 o 12.120  2.8530 -2.723000      5.707000  
1 1 1 6  6  27 o 34.140  1.3420 -0.9509000     2.685000  
1 1 1 6  6  28 o 10.370  2.8760 -1.364000      5.751000  
1 1 1 6  6  29 o 16.480  2.8510 -1.266000      5.703000  
1 1 1 6  6  30 o 8.5500  2.6370 -2.290000      5.275000  
1 1 1 6  6  31 o 15.410  2.9350 2.543000       5.871000  
1 1 1 6  6  32 o 19.590  2.6120 -3.614000      5.223000  
1 1 1 6  6  33 o 15.870  3.0630 4.464000       6.126000  
1 1 1 6  6  34 o 10.010  3.1450 3.053000       6.291000  
1 1 1 6  7  0  f 35.320  2.2740 -0.000000      0.000000  
1 1 1 6  7  1  o 67.690  1.0530 -2.812000      2.105000  
1 1 1 6  7  2  o 18.460  0.8706 -1.376000      1.741000  
1 1 1 6  7  3  o 31.340  0.6404 -4.040000      1.281000  
1 1 1 6  7  4  o 28.820  0.4819 0.5408000E-01  0.9637000 
1 1 1 6  7  5  o 69.370  0.5656 -1.247000      1.131000  
1 1 1 6  7  6  o 54.190  0.5196 2.527000       1.039000  
1 1 1 6  7  7  o 17.970  0.9360 -0.2353000     1.872000  
1 1 1 6  7  8  o 18.010  1.0550 -0.2767000     2.110000  
1 1 1 6  7  9  o 50.180  0.5781 0.5663000      1.156000  
1 1 1 6  7  10 o 49.990  0.6143 -0.8765000     1.229000  
1 1 1 6  7  11 o 45.750  0.6755 0.2875000      1.351000  
1 1 1 6  7  12 o 92.600  0.7262 0.8626000      1.452000  
1 1 1 6  7  13 o 34.480  0.8496 0.4151000      1.699000  
1 1 1 6  7  14 o 90.590  0.7369 2.619000       1.474000  
1 1 1 6  7  15 o 73.180  0.7679 1.892000       1.536000  
1 1 1 6  7  16 o 68.490  0.7325 4.992000       1.465000  
1 1 1 6  7  17 f 76.030  0.7353 -1.709000      1.471000  
1 1 1 6  7  18 o 55.630  0.8024 -1.345000      1.605000  
1 1 1 6  7  19 o 88.180  0.7551 -0.6321000     1.510000  
1 1 1 6  7  20 o 51.070  0.8732 -5.051000      1.746000  
1 1 1 6  7  21 o 24.730  1.6160 2.144000       3.232000  
1 1 1 6  7  22 o 49.410  0.9121 -1.202000      1.824000  
1 1 1 6  7  23 o 14.670  2.3870 -11.44000      4.773000  
1 1 1 6  7  24 o 15.080  2.8290 -1.403000      5.659000  
1 1 1 6  7  25 o 14.560  2.7250 -6.429000      5.451000  
1 1 1 6  7  26 o 23.840  1.9180 -1.760000      3.836000  
1 1 1 6  7  27 o 19.110  2.6700 -6.231000      5.339000  
1 1 1 6  7  28 o 13.510  2.8330 -4.959000      5.666000  
1 1 1 6  7  29 o 15.210  2.9050 7.924000       5.810000  
1 1 1 6  7  30 o 19.130  2.6470 -0.2044000     5.293000  
1 1 1 6  7  31 o 10.890  2.8410 6.118000       5.682000  
1 1 1 6  7  32 o 6.9080  2.3370 -0.7520000     4.674000  
1 1 1 6  7  33 o 8.9330  2.8130 1.656000       5.626000  
1 1 1 6  8  0  o 60.520  1.6750 -0.000000      0.000000  
1 1 1 6  8  1  o 67.520  0.8709 0.4846000      1.742000  
1 1 1 6  8  2  o 72.210  0.8920 -2.597000      1.784000  
1 1 1 6  8  3  o 40.560  0.5547 -1.595000      1.109000  
1 1 1 6  8  4  o 72.760  0.5844 1.166000       1.169000  
1 1 1 6  8  5  o 32.140  0.5340 3.720000       1.068000  
1 1 1 6  8  6  o 35.120  0.5654 1.349000       1.131000  
1 1 1 6  8  7  o 65.310  0.5777 -1.471000      1.155000  
1 1 1 6  8  8  o 79.670  0.6451 1.007000       1.290000  
1 1 1 6  8  9  o 42.320  0.6245 0.6808000      1.249000  
1 1 1 6  8  10 o 14.680  1.5720 -2.179000      3.143000  
1 1 1 6  8  11 o 116.800 0.8260 0.3010000      1.652000  
1 1 1 6  8  12 o 86.400  0.7395 -0.2878000     1.479000  
1 1 1 6  8  13 f 58.410  0.6863 1.892000       1.373000  
1 1 1 6  8  14 o 137.200 0.9649 1.045000       1.930000  
1 1 1 6  8  15 o 129.600 0.9311 1.060000       1.862000  
1 1 1 6  8  16 o 46.810  0.8285 -2.584000      1.657000  
1 1 1 6  8  17 o 77.490  0.7579 0.5876000      1.516000  
1 1 1 6  8  18 o 37.000  1.0710 -0.5325000E-01 2.142000  
1 1 1 6  8  19 o 19.590  2.0000 2.063000       3.999000  
1 1 1 6  8  20 o 40.660  0.9873 -1.251000      1.975000  
1 1 1 6  8  21 o 11.950  2.7780 -3.186000      5.555000  
1 1 1 6  8  22 o 38.660  1.1170 -1.651000      2.233000  
1 1 1 6  8  23 o 21.110  2.0850 -2.751000      4.170000  
1 1 1 6  8  24 o 23.450  1.9210 -2.933000      3.842000  
1 1 1 6  8  25 o 9.3170  2.7740 -0.2699000E-01 5.548000  
1 1 1 6  8  26 o 14.230  2.6670 -7.587000      5.335000  
1 1 1 6  8  27 o 7.4110  2.4330 0.7289000      4.866000  
1 1 1 6  8  28 o 23.840  2.0080 -1.915000      4.016000  
1 1 1 6  8  29 o 18.950  2.6120 -3.586000      5.224000  
1 1 1 6  8  30 o 9.7810  2.8780 -1.720000      5.756000  
1 1 1 6  8  31 o 7.8020  2.5470 1.452000       5.094000  
1 1 1 6  8  32 o 9.6550  2.9030 -2.221000      5.805000  
1 1 1 6  9  0  o 59.480  0.7451 -0.000000      0.000000  
1 1 1 6  9  1  o 81.420  0.6416 -0.5461000     1.283000  
1 1 1 6  9  2  o 47.860  0.5358 1.103000       1.072000  
1 1 1 6  9  3  o 39.180  0.5839 4.139000       1.168000  
1 1 1 6  9  4  o 59.510  0.5514 -2.676000      1.103000  
1 1 1 6  9  5  o 36.750  0.5665 0.2680000      1.133000  
1 1 1 6  9  6  o 45.230  0.5637 -0.8538000     1.127000  
1 1 1 6  9  7  o 19.410  1.0440 1.136000       2.088000  
1 1 1 6  9  8  o 21.060  1.0190 1.037000       2.037000  
1 1 1 6  9  9  o 11.220  2.0010 -1.749000      4.003000  
1 1 1 6  9  10 o 18.420  1.3920 -1.973000      2.785000  
1 1 1 6  9  11 o 41.910  0.7595 1.191000       1.519000  
1 1 1 6  9  12 o 71.290  0.6891 -2.171000      1.378000  
1 1 1 6  9  13 o 100.400 0.7848 0.9050000      1.570000  
1 1 1 6  9  14 o 40.540  0.8679 2.671000       1.736000  
1 1 1 6  9  15 o 48.930  0.7970 -2.183000      1.594000  
1 1 1 6  9  16 o 61.490  0.7683 -1.716000      1.537000  
1 1 1 6  9  17 o 58.900  0.7899 0.1987000      1.580000  
1 1 1 6  9  18 f 59.020  0.8148 -0.2935000     1.630000  
1 1 1 6  9  19 o 11.530  2.7810 3.265000       5.563000  
1 1 1 6  9  20 o 23.290  1.7610 3.047000       3.521000  
1 1 1 6  9  21 o 15.620  2.6550 4.114000       5.310000  
1 1 1 6  9  22 o 15.770  2.5790 -6.069000      5.158000  
1 1 1 6  9  23 o 27.550  1.4910 3.304000       2.982000  
1 1 1 6  9  24 o 10.910  2.6430 -5.824000      5.286000  
1 1 1 6  9  25 o 26.660  1.6390 0.1748000      3.278000  
1 1 1 6  9  26 o 11.730  2.9360 2.771000       5.872000  
1 1 1 6  9  27 o 8.8810  2.6480 4.444000       5.297000  
1 1 1 6  9  28 o 21.820  2.1580 6.442000       4.316000  
1 1 1 6  9  29 o 18.430  2.5150 2.564000       5.030000  
1 1 1 6  9  30 o 10.380  2.6090 -7.889000      5.219000  
1 1 1 6  9  31 o 8.1840  2.6140 -0.8892000     5.227000  
1 1 1 6  9  32 x ?       ?      ?              ?         
1 1 1 6  10 0  o 63.170  0.8068 -0.000000      0.000000  
1 1 1 6  10 1  o 28.930  0.6076 -2.238000      1.215000  
1 1 1 6  10 2  o 35.400  0.6407 -1.523000      1.281000  
1 1 1 6  10 3  o 85.500  0.7065 -1.659000      1.413000  
1 1 1 6  10 4  o 42.840  0.6136 -1.569000      1.227000  
1 1 1 6  10 5  o 56.490  0.5854 -1.358000      1.171000  
1 1 1 6  10 6  o 41.790  0.6224 -0.6696000E-01 1.245000  
1 1 1 6  10 7  o 63.270  0.6257 -0.5661000     1.251000  
1 1 1 6  10 8  o 77.160  0.6751 1.340000       1.350000  
1 1 1 6  10 9  o 100.500 0.7611 1.499000       1.522000  
1 1 1 6  10 10 o 33.390  0.8999 -3.359000      1.800000  
1 1 1 6  10 11 o 45.670  0.7974 -1.020000      1.595000  
1 1 1 6  10 12 o 79.740  0.7643 1.378000       1.529000  
1 1 1 6  10 13 o 48.990  0.7802 4.418000       1.560000  
1 1 1 6  10 14 o 61.020  0.7482 -0.9904000     1.496000  
1 1 1 6  10 15 o 48.710  0.8307 0.9837000      1.661000  
1 1 1 6  10 16 o 65.800  0.7652 -0.1951000     1.530000  
1 1 1 6  10 17 o 43.710  0.9354 -0.3761000     1.871000  
1 1 1 6  10 18 o 17.120  2.2830 6.644000       4.567000  
1 1 1 6  10 19 o 32.450  1.2630 1.280000       2.527000  
1 1 1 6  10 20 o 47.250  0.9584 2.394000       1.917000  
1 1 1 6  10 21 o 9.5220  2.7290 3.747000       5.457000  
1 1 1 6  10 22 o 11.840  2.8620 -1.647000      5.724000  
1 1 1 6  10 23 f 14.880  2.7410 0.6308000      5.482000  
1 1 1 6  10 24 o 21.120  2.1550 -3.683000      4.310000  
1 1 1 6  10 25 o 10.200  2.8440 2.869000       5.688000  
1 1 1 6  10 26 o 19.440  2.4280 -1.207000      4.856000  
1 1 1 6  10 27 o 14.070  2.9440 -3.320000      5.888000  
1 1 1 6  10 28 o 9.7160  2.8420 0.6869000      5.683000  
1 1 1 6  10 29 o 14.110  2.8460 -8.292000      5.692000  
1 1 1 6  10 30 o 10.180  2.8980 2.109000       5.796000  
1 1 1 6  10 31 o 8.7690  4.3840 ?              ?         
1 1 1 6  11 0  o 26.850  1.8220 -0.000000      0.000000  
1 1 1 6  11 1  o 58.670  0.6980 1.531000       1.396000  
1 1 1 6  11 2  o 98.730  0.7864 2.381000       1.573000  
1 1 1 6  11 3  o 44.340  0.7204 3.531000       1.441000  
1 1 1 6  11 4  o 69.880  0.6932 3.316000       1.386000  
1 1 1 6  11 5  o 82.270  0.7379 -1.823000      1.476000  
1 1 1 6  11 6  o 66.770  0.7245 -2.031000      1.449000  
1 1 1 6  11 7  o 43.160  0.7054 0.1785000E-01  1.411000  
1 1 1 6  11 8  o 66.340  0.6978 -1.116000      1.396000  
1 1 1 6  11 9  o 32.350  0.9394 2.543000       1.879000  
1 1 1 6  11 10 o 58.110  0.7708 2.725000       1.542000  
1 1 1 6  11 11 o 70.660  0.8128 -1.383000      1.626000  
1 1 1 6  11 12 o 39.440  0.9492 -0.1814000     1.898000  
1 1 1 6  11 13 o 108.300 0.8356 -3.573000      1.671000  
1 1 1 6  11 14 o 26.390  1.4040 1.728000       2.808000  
1 1 1 6  11 15 o 22.830  1.6350 0.5336000      3.270000  
1 1 1 6  11 16 o 41.180  0.9797 -0.4018000     1.959000  
1 1 1 6  11 17 o 43.770  1.0090 3.403000       2.017000  
1 1 1 6  11 18 o 30.640  1.4290 2.378000       2.859000  
1 1 1 6  11 19 o 49.250  0.9860 -2.886000      1.972000  
1 1 1 6  11 20 o 30.160  1.4960 -0.7737000     2.992000  
1 1 1 6  11 21 o 34.430  1.3460 -1.549000      2.692000  
1 1 1 6  11 22 o 15.170  2.7830 -5.311000      5.565000  
1 1 1 6  11 23 o 19.640  2.4410 -4.764000      4.883000  
1 1 1 6  11 24 o 19.970  2.3770 -2.551000      4.754000  
1 1 1 6  11 25 o 8.1900  2.5710 -1.490000      5.142000  
1 1 1 6  11 26 o 17.370  2.6200 1.319000       5.241000  
1 1 1 6  11 27 o 12.700  3.0000 0.9993000      6.000000  
1 1 1 6  11 28 o 10.670  2.8780 -3.002000      5.756000  
1 1 1 6  11 29 o 10.970  2.8060 5.643000       5.611000  
1 1 1 6  11 30 x ?       ?      ?              ?         
1 1 1 6  12 0  o 113.200 1.6660 -0.000000      0.000000  
1 1 1 6  12 1  o 59.020  0.8306 1.503000       1.661000  
1 1 1 6  12 2  o 36.520  0.9802 0.5494000      1.960000  
1 1 1 6  12 3  f 19.680  1.7290 2.896000       3.458000  
1 1 1 6  12 4  o 19.810  1.6500 -1.289000      3.300000  
1 1 1 6  12 5  o 50.260  0.7656 -0.9268000     1.531000  
1 1 1 6  12 6  o 27.510  1.1720 0.8488000      2.345000  
1 1 1 6  12 7  o 112.800 0.8693 -0.4846000     1.739000  
1 1 1 6  12 8  o 34.780  0.9401 0.4462000      1.880000  
1 1 1 6  12 9  o 129.200 0.9758 0.3586000      1.952000  
1 1 1 6  12 10 o 61.290  0.9732 -3.567000      1.946000  
1 1 1 6  12 11 f 42.650  0.9096 1.817000       1.819000  
1 1 1 6  12 12 o 81.200  0.8019 0.4450000      1.604000  
1 1 1 6  12 13 o 45.360  0.9430 -1.790000      1.886000  
1 1 1 6  12 14 o 24.690  1.6140 6.611000       3.229000  
1 1 1 6  12 15 o 18.470  2.1600 3.116000       4.320000  
1 1 1 6  12 16 o 55.520  0.8593 1.741000       1.719000  
1 1 1 6  12 17 f 71.590  0.8178 2.492000       1.636000  
1 1 1 6  12 18 o 44.710  1.0120 -0.9682000     2.024000  
1 1 1 6  12 19 o 15.860  2.6450 2.631000       5.290000  
1 1 1 6  12 20 o 22.210  2.0670 -3.121000      4.134000  
1 1 1 6  12 21 o 26.260  1.7370 -0.4354000E-01 3.474000  
1 1 1 6  12 22 o 26.310  1.7530 -2.451000      3.507000  
1 1 1 6  12 23 o 9.5320  2.8070 2.200000       5.615000  
1 1 1 6  12 24 o 22.470  2.1070 0.5311000      4.214000  
1 1 1 6  12 25 o 19.420  2.3840 2.282000       4.767000  
1 1 1 6  12 26 o 12.810  2.8780 -4.885000      5.755000  
1 1 1 6  12 27 o 13.960  2.7040 -3.614000      5.408000  
1 1 1 6  12 28 o 11.120  2.5860 -8.151000      5.173000  
1 1 1 6  13 0  o 36.650  1.4980 -0.000000      0.000000  
1 1 1 6  13 1  o 69.320  0.7797 -1.171000      1.559000  
1 1 1 6  13 2  o 67.930  0.8670 2.568000       1.734000  
1 1 1 6  13 3  o 62.070  0.7846 -1.579000      1.569000  
1 1 1 6  13 4  o 51.750  0.8307 1.799000       1.661000  
1 1 1 6  13 5  o 29.200  1.3010 0.4327000      2.601000  
1 1 1 6  13 6  o 37.720  1.0020 -2.274000      2.005000  
1 1 1 6  13 7  o 43.270  0.9443 -1.057000      1.889000  
1 1 1 6  13 8  o 33.280  1.1770 0.6678000      2.355000  
1 1 1 6  13 9  o 44.650  1.0030 2.392000       2.006000  
1 1 1 6  13 10 o 43.450  0.9268 -0.8648000     1.854000  
1 1 1 6  13 11 o 47.280  0.8786 0.7621000      1.757000  
1 1 1 6  13 12 f 45.560  0.9018 0.1010000      1.804000  
1 1 1 6  13 13 o 52.960  0.8479 -1.686000      1.696000  
1 1 1 6  13 14 o 56.430  0.9135 2.240000       1.827000  
1 1 1 6  13 15 o 19.890  2.0260 1.240000       4.053000  
1 1 1 6  13 16 o 34.090  1.2270 -0.3282000     2.453000  
1 1 1 6  13 17 o 21.030  2.0670 1.147000       4.134000  
1 1 1 6  13 18 o 30.690  1.4220 0.5425000      2.843000  
1 1 1 6  13 19 o 25.640  1.7490 -0.8767000     3.498000  
1 1 1 6  13 20 o 18.080  2.5650 5.603000       5.131000  
1 1 1 6  13 21 o 16.750  2.8240 0.5119000      5.648000  
1 1 1 6  13 22 o 10.860  2.9410 -3.148000      5.882000  
1 1 1 6  13 23 o 23.040  2.2080 -3.906000      4.416000  
1 1 1 6  13 24 o 10.160  2.9690 0.1311000      5.938000  
1 1 1 6  13 25 o 11.980  3.1290 -2.743000      6.258000  
1 1 1 6  13 26 o 17.510  2.9440 1.044000       5.887000  
1 1 1 6  13 27 o 14.150  3.0770 -2.891000      6.155000  
1 1 1 6  14 0  o 64.750  1.1380 -0.000000      0.000000  
1 1 1 6  14 1  o 29.620  1.5910 2.152000       3.182000  
1 1 1 6  14 2  o 27.220  1.5560 2.134000       3.112000  
1 1 1 6  14 3  o 44.310  0.9950 -3.298000      1.990000  
1 1 1 6  14 4  o 37.310  1.1420 2.109000       2.283000  
1 1 1 6  14 5  f 42.930  1.0150 -1.231000      2.029000  
1 1 1 6  14 6  o 42.420  1.0520 -0.8870000     2.103000  
1 1 1 6  14 7  o 29.300  1.4110 -1.143000      2.821000  
1 1 1 6  14 8  o 66.830  0.8465 0.9183000      1.693000  
1 1 1 6  14 9  o 44.680  1.0140 -1.718000      2.028000  
1 1 1 6  14 10 o 12.010  2.6490 5.254000       5.298000  
1 1 1 6  14 11 o 46.760  0.9356 1.070000       1.871000  
1 1 1 6  14 12 o 26.560  1.5290 -0.7821000     3.057000  
1 1 1 6  14 13 o 10.160  2.7330 0.2640000      5.467000  
1 1 1 6  14 14 o 10.110  2.7450 1.881000       5.490000  
1 1 1 6  14 15 o 32.100  1.3200 0.4965000E-01  2.640000  
1 1 1 6  14 16 o 48.670  0.9524 4.033000       1.905000  
1 1 1 6  14 17 o 34.350  1.2760 3.428000       2.552000  
1 1 1 6  14 18 o 13.270  2.8480 5.293000       5.696000  
1 1 1 6  14 19 o 19.960  2.3200 -0.4286000     4.640000  
1 1 1 6  14 20 o 9.6130  2.8230 0.9667000      5.646000  
1 1 1 6  14 21 o 16.060  2.7730 -4.597000      5.546000  
1 1 1 6  14 22 o 8.4070  2.6760 1.526000       5.353000  
1 1 1 6  14 23 o 9.6570  2.8310 -0.5582000     5.662000  
1 1 1 6  14 24 o 13.010  2.9010 7.101000       5.801000  
1 1 1 6  14 25 o 16.430  2.9290 -0.7099000     5.857000  
1 1 1 6  15 0  o 52.180  1.3490 -0.000000      0.000000  
1 1 1 6  15 1  o 55.780  0.9694 -0.7520000     1.939000  
1 1 1 6  15 2  o 28.050  1.5970 -4.198000      3.194000  
1 1 1 6  15 3  o 56.070  0.9305 0.3259000      1.861000  
1 1 1 6  15 4  o 61.460  0.8945 1.068000       1.789000  
1 1 1 6  15 5  o 50.210  0.9872 -0.2084000     1.974000  
1 1 1 6  15 6  o 42.880  1.1180 4.239000       2.236000  
1 1 1 6  15 7  o 49.260  1.0210 0.3923000      2.042000  
1 1 1 6  15 8  o 14.890  2.8670 -0.4145000     5.735000  
1 1 1 6  15 9  o 30.420  1.5510 4.231000       3.102000  
1 1 1 6  15 10 o 19.070  2.4070 4.665000       4.815000  
1 1 1 6  15 11 o 30.850  1.5150 -0.2091000     3.030000  
1 1 1 6  15 12 o 41.750  1.1990 -4.886000      2.399000  
1 1 1 6  15 13 o 23.500  2.1330 -1.299000      4.266000  
1 1 1 6  15 14 o 56.040  0.9075 -1.859000      1.815000  
1 1 1 6  15 15 o 50.840  0.9538 2.095000       1.908000  
1 1 1 6  15 16 o 43.560  1.0350 -0.5773000     2.070000  
1 1 1 6  15 17 o 27.010  1.6090 1.635000       3.218000  
1 1 1 6  15 18 o 15.010  2.7750 3.112000       5.550000  
1 1 1 6  15 19 o 11.360  2.7470 5.615000       5.494000  
1 1 1 6  15 20 o 8.6860  2.6480 2.685000       5.295000  
1 1 1 6  15 21 o 8.5150  2.6410 1.877000       5.282000  
1 1 1 6  15 22 o 9.2890  2.7780 1.168000       5.556000  
1 1 1 6  15 23 o 8.7100  2.7300 1.851000       5.461000  
1 1 1 6  15 24 o 9.4720  3.2670 -0.9344000     6.533000  
1 1 1 6  16 0  o 15.450  4.6960 -0.000000      0.000000  
1 1 1 6  16 1  o 38.360  1.2650 -1.019000      2.530000  
1 1 1 6  16 2  o 19.360  2.7590 -4.436000      5.518000  
1 1 1 6  16 3  o 23.030  2.0270 -2.942000      4.054000  
1 1 1 6  16 4  o 29.090  1.6030 1.453000       3.206000  
1 1 1 6  16 5  o 13.760  2.9320 0.8975000      5.865000  
1 1 1 6  16 6  f 11.380  2.9450 -0.7289000E-02 5.889000  
1 1 1 6  16 7  o 12.280  2.8100 4.259000       5.621000  
1 1 1 6  16 8  o 12.050  3.0220 -1.934000      6.044000  
1 1 1 6  16 9  o 33.620  1.4480 2.270000       2.896000  
1 1 1 6  16 10 o 38.330  1.2470 0.9194000      2.495000  
1 1 1 6  16 11 o 17.850  2.6430 1.924000       5.287000  
1 1 1 6  16 12 o 40.330  1.1990 2.993000       2.397000  
1 1 1 6  16 13 o 22.860  2.0410 -1.438000      4.083000  
1 1 1 6  16 14 f 22.190  1.9080 2.304000       3.816000  
1 1 1 6  16 15 o 11.360  2.8570 -3.940000      5.714000  
1 1 1 6  16 16 o 17.200  2.6760 -1.892000      5.352000  
1 1 1 6  16 17 o 19.790  2.2520 6.544000       4.504000  
1 1 1 6  16 18 o 10.780  2.8500 0.1257000      5.700000  
1 1 1 6  16 19 o 10.810  2.5070 -7.367000      5.015000  
1 1 1 6  16 20 o 8.1890  2.5720 -0.6402000     5.144000  
1 1 1 6  16 21 o 9.9320  2.8140 -0.4807000     5.628000  
1 1 1 6  16 22 o 9.6570  4.6850 ?              ?         
1 1 1 6  17 0  o 22.030  3.4100 -0.000000      0.000000  
1 1 1 6  17 1  o 46.930  1.2610 -7.947000      2.522000  
1 1 1 6  17 2  o 43.970  1.1790 2.269000       2.359000  
1 1 1 6  17 3  f 22.580  2.2620 3.951000       4.524000  
1 1 1 6  17 4  o 20.540  2.4470 -1.655000      4.893000  
1 1 1 6  17 5  o 36.950  1.3450 -0.1392000     2.690000  
1 1 1 6  17 6  o 60.990  0.9946 3.434000       1.989000  
1 1 1 6  17 7  o 21.650  2.3830 1.034000       4.766000  
1 1 1 6  17 8  o 20.840  2.2330 -1.604000      4.466000  
1 1 1 6  17 9  o 11.520  2.9470 1.357000       5.894000  
1 1 1 6  17 10 f 26.090  1.7720 -0.3967000     3.544000  
1 1 1 6  17 11 o 8.7020  2.6560 -5.741000      5.312000  
1 1 1 6  17 12 o 15.460  2.7850 1.916000       5.570000  
1 1 1 6  17 13 o 13.880  2.9650 0.4699000      5.930000  
1 1 1 6  17 14 o 25.060  2.1510 -4.068000      4.302000  
1 1 1 6  17 15 o 6.8070  2.2700 1.244000       4.539000  
1 1 1 6  17 16 o 16.800  2.4990 8.180000       4.998000  
1 1 1 6  17 17 o 9.7270  2.7550 2.496000       5.510000  
1 1 1 6  17 18 o 9.5550  2.6980 -1.204000      5.397000  
1 1 1 6  17 19 o 11.730  2.6590 -4.882000      5.318000  
1 1 1 6  18 0  o 42.960  1.6130 -0.000000      0.000000  
1 1 1 6  18 1  o 28.210  1.6600 2.136000       3.319000  
1 1 1 6  18 2  o 15.770  2.8330 -2.501000      5.666000  
1 1 1 6  18 3  f 10.640  2.8790 -0.7650000     5.758000  
1 1 1 6  18 4  o 33.160  1.4770 2.212000       2.954000  
1 1 1 6  18 5  o 16.930  2.6620 -3.884000      5.325000  
1 1 1 6  18 6  o 23.600  1.9640 3.651000       3.927000  
1 1 1 6  18 7  o 18.360  2.5860 1.760000       5.173000  
1 1 1 6  18 8  o 12.250  2.8950 0.3725000      5.790000  
1 1 1 6  18 9  o 10.420  2.9250 -2.995000      5.851000  
1 1 1 6  18 10 o 19.230  2.5160 6.861000       5.032000  
1 1 1 6  18 11 o 12.080  2.9140 1.715000       5.828000  
1 1 1 6  18 12 o 28.010  1.6030 0.4744000      3.206000  
1 1 1 6  18 13 o 12.550  2.9270 -2.097000      5.854000  
1 1 1 6  18 14 o 10.650  2.7780 1.638000       5.556000  
1 1 1 6  18 15 o 8.2660  2.4810 2.135000       4.963000  
1 1 1 6  18 16 o 8.5980  2.5960 -4.149000      5.193000  
1 1 1 6  19 0  o 4.8820  3.3750 -0.000000      0.000000  
1 1 1 6  19 1  o 11.170  2.8600 1.070000       5.720000  
1 1 1 6  19 2  o 12.320  2.8310 -2.008000      5.662000  
1 1 1 6  19 3  o 13.690  2.9350 -2.783000      5.870000  
1 1 1 6  19 4  o 22.350  1.8980 -0.8661000     3.796000  
1 1 1 6  19 5  o 8.7400  2.6370 -2.547000      5.274000  
1 1 1 6  19 6  o 8.3700  2.5360 0.7691000      5.072000  
1 1 1 6  19 7  o 16.880  2.5110 6.195000       5.022000  
1 1 1 6  19 8  o 12.210  2.5320 6.502000       5.063000  
1 1 1 6  19 9  o 28.510  1.5720 1.690000       3.144000  
1 1 1 6  19 10 o 22.550  1.8140 -2.573000      3.628000  
1 1 1 6  19 11 o 7.1180  2.3050 0.7465000      4.610000  
1 1 1 6  19 12 o 5.9790  2.0490 0.2209000E-01  4.098000  
1 1 1 6  20 0  o 6.5930  4.0450 -0.000000      0.000000  
1 1 1 6  20 1  o 12.860  2.5880 3.349000       5.175000  
1 1 1 6  20 2  o 9.5090  2.5160 -2.957000      5.032000  
1 1 1 6  20 3  f 8.3720  2.3920 4.260000       4.785000  
1 1 1 6  20 4  o 16.380  2.2950 -1.302000      4.591000  
1 1 1 6  20 5  o 18.770  2.1160 0.9904000      4.231000  
1 1 1 6  20 6  o 16.910  2.7400 -8.329000      5.479000  
1 1 1 7  0  1  o 90.630  0.9383 -0.000000      0.000000  
1 1 1 7  0  2  o 37.860  1.0060 -0.000000      0.000000  
1 1 1 7  0  3  o 78.710  0.8827 -0.000000      0.000000  
1 1 1 7  0  4  o 18.930  2.0250 -0.000000      0.000000  
1 1 1 7  0  5  o 47.660  0.9713 -0.000000      0.000000  
1 1 1 7  0  6  o 33.400  1.2590 -0.000000      0.000000  
1 1 1 7  0  7  o 38.620  1.3840 -0.000000      0.000000  
1 1 1 7  0  8  o 42.290  1.0480 -0.000000      0.000000  
1 1 1 7  0  9  o 43.020  1.0510 -0.000000      0.000000  
1 1 1 7  0  10 o 68.050  0.9410 -0.000000      0.000000  
1 1 1 7  0  11 o 57.490  0.9578 -0.000000      0.000000  
1 1 1 7  0  12 o 62.740  0.9318 -0.000000      0.000000  
1 1 1 7  0  13 o 27.370  1.6330 -0.000000      0.000000  
1 1 1 7  0  14 o 19.320  2.4000 -0.000000      0.000000  
1 1 1 7  0  15 o 43.620  1.1390 -0.000000      0.000000  
1 1 1 7  0  16 o 13.420  3.8940 -0.000000      0.000000  
1 1 1 7  0  17 o 7.7630  4.2870 -0.000000      0.000000  
1 1 1 7  0  18 o 3.4870  2.5430 -0.000000      0.000000  
1 1 1 7  0  19 o 82.560  1.0290 -0.000000      0.000000  
1 1 1 7  0  20 o 29.330  1.9170 -0.000000      0.000000  
1 1 1 7  0  21 o 20.980  2.8020 -0.000000      0.000000  
1 1 1 7  0  22 o 44.970  1.3920 -0.000000      0.000000  
1 1 1 7  0  23 o 9.7370  4.9130 -0.000000      0.000000  
1 1 1 7  0  24 o 27.670  2.1240 -0.000000      0.000000  
1 1 1 7  0  25 o 8.5220  4.6490 -0.000000      0.000000  
1 1 1 7  0  26 o 7.4760  4.4490 -0.000000      0.000000  
1 1 1 7  0  27 o 13.820  4.8070 -0.000000      0.000000  
1 1 1 7  0  28 o 6.2460  4.0790 -0.000000      0.000000  
1 1 1 7  0  29 o 23.020  3.0070 -0.000000      0.000000  
1 1 1 7  0  30 o 5.8000  3.9300 -0.000000      0.000000  
1 1 1 7  0  31 o 5.7420  3.9080 -0.000000      0.000000  
1 1 1 7  0  32 o 4.6760  3.3280 -0.000000      0.000000  
1 1 1 7  0  33 o 15.730  5.2820 -0.000000      0.000000  
1 1 1 7  0  34 o 12.500  5.6610 -0.000000      0.000000  
1 1 1 7  1  0  o 42.810  0.9043 -0.000000      0.000000  
1 1 1 7  1  1  o 44.580  0.6511 1.642000       1.302000  
1 1 1 7  1  2  o 38.930  0.6932 0.8601000E-01  1.386000  
1 1 1 7  1  3  o 51.760  0.6191 1.897000       1.238000  
1 1 1 7  1  4  o 13.960  1.9100 0.3494000      3.819000  
1 1 1 7  1  5  o 6.1780  1.9780 -0.8855000     3.957000  
1 1 1 7  1  6  o 26.630  1.1890 2.729000       2.378000  
1 1 1 7  1  7  o 39.530  0.8224 2.952000       1.645000  
1 1 1 7  1  8  o 11.570  2.2340 0.3194000      4.467000  
1 1 1 7  1  9  o 20.910  1.3720 -3.961000      2.744000  
1 1 1 7  1  10 o 18.110  1.6670 1.799000       3.334000  
1 1 1 7  1  11 o 30.740  1.0020 0.5032000      2.003000  
1 1 1 7  1  12 o 89.320  0.7230 -0.2141000     1.446000  
1 1 1 7  1  13 o 64.560  0.6703 -0.1300000     1.341000  
1 1 1 7  1  14 o 120.300 0.8378 2.040000       1.676000  
1 1 1 7  1  15 o 31.470  1.0350 0.2575000      2.070000  
1 1 1 7  1  16 o 63.050  0.7022 -0.9287000     1.404000  
1 1 1 7  1  17 o 97.250  0.7596 0.1076000E-01  1.519000  
1 1 1 7  1  18 o 59.050  0.7517 -0.8912000     1.503000  
1 1 1 7  1  19 o 94.680  0.7665 -2.718000      1.533000  
1 1 1 7  1  20 o 49.400  0.8797 4.512000       1.759000  
1 1 1 7  1  21 o 39.420  1.0590 -1.852000      2.118000  
1 1 1 7  1  22 o 51.870  0.8954 -3.967000      1.791000  
1 1 1 7  1  23 o 36.750  1.1680 2.983000       2.336000  
1 1 1 7  1  24 o 56.110  0.8530 0.4520000      1.706000  
1 1 1 7  1  25 o 19.780  2.2840 5.495000       4.569000  
1 1 1 7  1  26 o 28.290  1.5530 0.5885000      3.106000  
1 1 1 7  1  27 o 12.130  2.9370 1.059000       5.874000  
1 1 1 7  1  28 o 12.280  2.5550 -9.192000      5.110000  
1 1 1 7  1  29 o 9.8600  2.8190 -1.654000      5.638000  
1 1 1 7  1  30 o 51.380  1.0170 2.171000       2.034000  
1 1 1 7  1  31 o 8.3750  2.6770 -0.2485000E-01 5.353000  
1 1 1 7  1  32 o 13.420  3.1600 -2.251000      6.321000  
1 1 1 7  1  33 o 30.710  1.7720 7.328000       3.545000  
1 1 1 7  1  34 o 10.910  3.1110 -2.282000      6.223000  
1 1 1 7  2  0  o 20.970  1.6220 -0.000000      0.000000  
1 1 1 7  2  1  o 115.000 0.7835 0.7582000      1.567000  
1 1 1 7  2  2  o 48.580  0.6167 -0.6462000     1.233000  
1 1 1 7  2  3  o 12.760  1.9740 -3.089000      3.948000  
1 1 1 7  2  4  o 67.480  0.6158 -0.4112000     1.232000  
1 1 1 7  2  5  o 52.990  0.6485 -0.4836000     1.297000  
1 1 1 7  2  6  o 95.350  0.7305 0.7090000      1.461000  
1 1 1 7  2  7  o 54.110  0.6944 -1.072000      1.389000  
1 1 1 7  2  8  o 67.430  0.6886 0.9267000      1.377000  
1 1 1 7  2  9  o 54.260  0.6774 -2.936000      1.355000  
1 1 1 7  2  10 o 51.360  0.6876 0.2179000E-01  1.375000  
1 1 1 7  2  11 o 69.240  0.6725 -0.1171000     1.345000  
1 1 1 7  2  12 o 73.100  0.6894 1.617000       1.379000  
1 1 1 7  2  13 o 118.500 0.8564 0.4586000      1.713000  
1 1 1 7  2  14 o 45.350  0.7641 -0.3936000     1.528000  
1 1 1 7  2  15 o 54.520  0.7184 2.016000       1.437000  
1 1 1 7  2  16 o 35.050  0.9548 -2.704000      1.910000  
1 1 1 7  2  17 o 29.270  1.2420 -3.572000      2.485000  
1 1 1 7  2  18 o 51.990  0.7904 0.7948000      1.581000  
1 1 1 7  2  19 o 46.360  0.8585 -0.5210000     1.717000  
1 1 1 7  2  20 o 17.720  2.2300 0.1659000      4.459000  
1 1 1 7  2  21 o 26.840  1.5290 -1.302000      3.058000  
1 1 1 7  2  22 o 66.080  0.7877 -0.1219000     1.575000  
1 1 1 7  2  23 o 8.3160  2.5320 -2.312000      5.064000  
1 1 1 7  2  24 o 68.360  0.7951 2.022000       1.590000  
1 1 1 7  2  25 o 39.920  1.1430 -0.8088000     2.285000  
1 1 1 7  2  26 f 26.910  1.8600 3.692000       3.719000  
1 1 1 7  2  27 f 22.060  2.0400 0.7665000      4.079000  
1 1 1 7  2  28 o 12.140  2.8360 -4.991000      5.672000  
1 1 1 7  2  29 o 52.690  0.9617 0.1428000      1.923000  
1 1 1 7  2  30 o 7.4380  2.4640 -0.5372000     4.929000  
1 1 1 7  2  31 o 35.140  1.5730 5.342000       3.145000  
1 1 1 7  2  32 o 19.380  2.6960 3.970000       5.393000  
1 1 1 7  2  33 o 6.8170  2.3490 -0.1228000     4.698000  
1 1 1 7  2  34 o 12.500  2.8530 -9.773000      5.707000  
1 1 1 7  3  0  o 70.710  0.8495 -0.000000      0.000000  
1 1 1 7  3  1  o 41.740  0.6460 -0.4245000     1.292000  
1 1 1 7  3  2  o 85.250  0.6460 -1.121000      1.292000  
1 1 1 7  3  3  o 53.510  0.6091 1.310000       1.218000  
1 1 1 7  3  4  o 38.650  0.7318 0.4064000      1.464000  
1 1 1 7  3  5  o 37.210  0.7808 -1.892000      1.562000  
1 1 1 7  3  6  o 46.660  0.7118 2.406000       1.424000  
1 1 1 7  3  7  f 51.760  0.7615 -3.123000      1.523000  
1 1 1 7  3  8  o 11.690  2.3300 0.1183000      4.659000  
1 1 1 7  3  9  o 30.510  0.9217 -3.303000      1.843000  
1 1 1 7  3  10 o 74.040  0.6690 1.808000       1.338000  
1 1 1 7  3  11 o 8.8910  2.3010 2.276000       4.601000  
1 1 1 7  3  12 o 43.760  0.8150 -2.854000      1.630000  
1 1 1 7  3  13 o 75.460  0.6909 -0.8251000     1.382000  
1 1 1 7  3  14 o 56.350  0.7099 1.550000       1.420000  
1 1 1 7  3  15 o 52.210  0.7617 3.240000       1.523000  
1 1 1 7  3  16 o 48.850  0.7731 -3.231000      1.546000  
1 1 1 7  3  17 o 51.280  0.7961 1.189000       1.592000  
1 1 1 7  3  18 f 67.710  0.7242 0.1717000      1.448000  
1 1 1 7  3  19 o 44.700  0.9235 -4.699000      1.847000  
1 1 1 7  3  20 o 20.220  1.9590 -1.658000      3.918000  
1 1 1 7  3  21 o 13.200  2.7610 -1.397000      5.523000  
1 1 1 7  3  22 o 45.590  0.9906 -1.497000      1.981000  
1 1 1 7  3  23 o 35.720  1.2380 0.6315000      2.476000  
1 1 1 7  3  24 o 68.620  0.8036 -0.5286000     1.607000  
1 1 1 7  3  25 o 17.690  2.4580 1.476000       4.915000  
1 1 1 7  3  26 o 21.100  2.0980 1.100000       4.196000  
1 1 1 7  3  27 f 14.910  2.8550 -0.8385000     5.711000  
1 1 1 7  3  28 o 18.030  2.6550 -1.816000      5.310000  
1 1 1 7  3  29 o 21.880  2.2610 5.678000       4.522000  
1 1 1 7  3  30 o 22.480  2.1960 -0.9829000     4.392000  
1 1 1 7  3  31 o 11.920  3.1050 0.5686000      6.210000  
1 1 1 7  3  32 o 12.260  2.7520 -8.981000      5.505000  
1 1 1 7  3  33 o 12.270  2.7860 -9.573000      5.572000  
1 1 1 7  3  34 x ?       ?      ?              ?         
1 1 1 7  4  0  o 53.680  0.8354 -0.000000      0.000000  
1 1 1 7  4  1  o 54.890  0.5919 -1.039000      1.184000  
1 1 1 7  4  2  f 71.360  0.6050 0.3680000E-01  1.210000  
1 1 1 7  4  3  o 58.990  0.5996 -1.030000      1.199000  
1 1 1 7  4  4  f 43.350  0.6743 -0.2563000     1.349000  
1 1 1 7  4  5  o 21.960  1.1420 0.9372000      2.284000  
1 1 1 7  4  6  o 24.710  1.0190 -2.593000      2.039000  
1 1 1 7  4  7  o 51.030  0.6913 0.8054000      1.383000  
1 1 1 7  4  8  f 50.410  0.6460 -1.427000      1.292000  
1 1 1 7  4  9  o 31.870  0.8528 -0.2660000     1.706000  
1 1 1 7  4  10 o 11.290  2.0300 6.102000       4.061000  
1 1 1 7  4  11 o 105.900 0.7821 0.6600000      1.564000  
1 1 1 7  4  12 f 70.380  0.6668 0.6637000      1.334000  
1 1 1 7  4  13 o 70.860  0.6921 -1.434000      1.384000  
1 1 1 7  4  14 o 83.400  0.8087 -1.307000      1.617000  
1 1 1 7  4  15 o 78.530  0.7259 0.6594000      1.452000  
1 1 1 7  4  16 o 120.900 0.9156 1.043000       1.831000  
1 1 1 7  4  17 o 48.780  0.7993 0.3966000      1.599000  
1 1 1 7  4  18 o 69.240  0.7307 0.2341000      1.461000  
1 1 1 7  4  19 o 52.470  0.8175 0.6101000      1.635000  
1 1 1 7  4  20 o 56.880  0.8145 -0.1304000     1.629000  
1 1 1 7  4  21 o 32.010  1.2450 -0.4880000     2.490000  
1 1 1 7  4  22 o 49.670  0.8940 0.7861000      1.788000  
1 1 1 7  4  23 o 12.160  2.5900 -7.323000      5.179000  
1 1 1 7  4  24 o 62.590  0.8285 0.8175000      1.657000  
1 1 1 7  4  25 o 31.120  1.4230 -1.064000      2.847000  
1 1 1 7  4  26 o 14.230  2.8100 3.864000       5.620000  
1 1 1 7  4  27 o 15.110  2.7020 -5.748000      5.404000  
1 1 1 7  4  28 o 26.660  1.7330 -0.2012000E-01 3.465000  
1 1 1 7  4  29 o 35.540  1.3530 -3.945000      2.706000  
1 1 1 7  4  30 o 10.290  2.8870 4.696000       5.775000  
1 1 1 7  4  31 o 9.1600  2.8010 2.654000       5.603000  
1 1 1 7  4  32 o 11.210  2.9670 5.873000       5.933000  
1 1 1 7  4  33 o 21.060  2.5780 -3.658000      5.157000  
1 1 1 7  5  0  o 15.840  1.8110 -0.000000      0.000000  
1 1 1 7  5  1  o 47.930  0.5665 -0.5102000     1.133000  
1 1 1 7  5  2  o 67.120  0.6565 -3.704000      1.313000  
1 1 1 7  5  3  o 18.290  1.3060 -3.419000      2.612000  
1 1 1 7  5  4  o 12.320  1.6720 7.778000       3.343000  
1 1 1 7  5  5  o 45.190  0.6332 -0.2530000     1.266000  
1 1 1 7  5  6  o 66.590  0.6485 -1.289000      1.297000  
1 1 1 7  5  7  o 76.660  0.6333 -1.040000      1.267000  
1 1 1 7  5  8  o 42.590  0.6444 1.655000       1.289000  
1 1 1 7  5  9  o 53.910  0.6392 -0.4840000     1.278000  
1 1 1 7  5  10 f 49.880  0.6617 -1.145000      1.323000  
1 1 1 7  5  11 o 39.010  0.7585 2.974000       1.517000  
1 1 1 7  5  12 o 83.600  0.6982 2.079000       1.396000  
1 1 1 7  5  13 o 57.900  0.6896 -2.009000      1.379000  
1 1 1 7  5  14 o 58.470  0.7219 5.146000       1.444000  
1 1 1 7  5  15 o 64.710  0.7178 1.874000       1.436000  
1 1 1 7  5  16 o 80.710  0.7365 -0.7809000     1.473000  
1 1 1 7  5  17 o 76.990  0.7367 -0.4025000     1.473000  
1 1 1 7  5  18 o 89.430  0.7554 -0.8981000     1.511000  
1 1 1 7  5  19 o 36.070  1.0520 -0.5136000     2.105000  
1 1 1 7  5  20 o 49.960  0.8697 -0.7059000     1.739000  
1 1 1 7  5  21 o 31.870  1.2430 0.9279000      2.487000  
1 1 1 7  5  22 o 22.800  1.7860 3.261000       3.573000  
1 1 1 7  5  23 o 17.570  2.4510 -2.132000      4.902000  
1 1 1 7  5  24 o 26.100  1.7390 -3.821000      3.479000  
1 1 1 7  5  25 f 43.820  1.0280 -1.328000      2.056000  
1 1 1 7  5  26 o 34.400  1.3290 0.6689000E-01  2.657000  
1 1 1 7  5  27 o 35.570  1.2710 0.7695000      2.543000  
1 1 1 7  5  28 o 12.320  3.0230 2.149000       6.046000  
1 1 1 7  5  29 o 22.910  2.1040 -2.382000      4.209000  
1 1 1 7  5  30 o 12.740  3.0220 -4.855000      6.044000  
1 1 1 7  5  31 o 17.340  2.9120 0.7896000      5.824000  
1 1 1 7  5  32 o 14.390  3.0260 -5.229000      6.053000  
1 1 1 7  5  33 o 16.040  3.2700 6.931000       6.540000  
1 1 1 7  6  0  o 30.740  0.8201 -0.000000      0.000000  
1 1 1 7  6  1  o 81.290  0.6993 1.309000       1.399000  
1 1 1 7  6  2  o 29.550  0.5989 -3.029000      1.198000  
1 1 1 7  6  3  o 43.660  0.5649 -0.7543000     1.130000  
1 1 1 7  6  4  o 25.730  0.7608 2.350000       1.522000  
1 1 1 7  6  5  o 59.610  0.6125 -1.909000      1.225000  
1 1 1 7  6  6  o 33.660  0.6189 1.355000       1.238000  
1 1 1 7  6  7  o 62.220  0.6088 0.8089000      1.218000  
1 1 1 7  6  8  o 47.080  0.6006 0.1965000      1.201000  
1 1 1 7  6  9  o 24.960  0.9449 -1.339000      1.890000  
1 1 1 7  6  10 o 35.980  0.7673 0.7625000      1.535000  
1 1 1 7  6  11 o 40.970  0.7446 1.925000       1.489000  
1 1 1 7  6  12 o 39.980  0.7654 3.777000       1.531000  
1 1 1 7  6  13 o 16.300  1.8930 -3.453000      3.786000  
1 1 1 7  6  14 o 85.380  0.7262 -0.8091000     1.452000  
1 1 1 7  6  15 o 91.960  0.7687 -0.6622000     1.537000  
1 1 1 7  6  16 o 94.220  0.7856 -0.9753000E-01 1.571000  
1 1 1 7  6  17 o 57.790  0.7830 -1.642000      1.566000  
1 1 1 7  6  18 o 35.740  1.0940 1.040000       2.187000  
1 1 1 7  6  19 o 46.750  0.8758 0.3826000      1.752000  
1 1 1 7  6  20 f 17.360  2.3990 -2.551000      4.798000  
1 1 1 7  6  21 o 63.850  0.7752 1.861000       1.550000  
1 1 1 7  6  22 f 22.170  1.8890 0.9146000      3.777000  
1 1 1 7  6  23 o 25.140  1.7490 -5.769000      3.498000  
1 1 1 7  6  24 o 32.650  1.3670 -0.5733000     2.734000  
1 1 1 7  6  25 o 9.3240  2.7560 0.7354000      5.513000  
1 1 1 7  6  26 o 39.300  1.1430 -0.4454000     2.286000  
1 1 1 7  6  27 o 18.170  2.5250 -3.010000      5.050000  
1 1 1 7  6  28 o 14.380  2.9330 4.871000       5.867000  
1 1 1 7  6  29 o 30.660  1.5710 -4.896000      3.142000  
1 1 1 7  6  30 o 12.270  3.0560 -0.9307000     6.113000  
1 1 1 7  6  31 o 14.250  3.0610 1.061000       6.123000  
1 1 1 7  6  32 o 6.8080  2.3410 0.8929000      4.682000  
1 1 1 7  7  0  o 23.230  4.0740 -0.000000      0.000000  
1 1 1 7  7  1  o 29.960  0.6703 2.285000       1.341000  
1 1 1 7  7  2  o 8.6520  1.9500 0.9921000      3.900000  
1 1 1 7  7  3  o 25.060  0.6234 -0.3638000     1.247000  
1 1 1 7  7  4  o 29.820  0.6296 1.575000       1.259000  
1 1 1 7  7  5  o 11.470  1.5700 -2.412000      3.140000  
1 1 1 7  7  6  o 22.840  0.7715 0.6904000      1.543000  
1 1 1 7  7  7  o 15.010  1.2710 -1.435000      2.541000  
1 1 1 7  7  8  o 71.450  0.6181 -1.620000      1.236000  
1 1 1 7  7  9  o 86.270  0.6891 -0.7287000     1.378000  
1 1 1 7  7  10 o 149.500 0.9998 -0.9663000     2.000000  
1 1 1 7  7  11 o 38.620  0.7920 -0.7504000E-01 1.584000  
1 1 1 7  7  12 o 93.930  0.7484 1.684000       1.497000  
1 1 1 7  7  13 o 129.200 0.9218 0.3664000      1.844000  
1 1 1 7  7  14 o 54.000  0.7212 1.150000       1.442000  
1 1 1 7  7  15 o 35.640  0.9535 1.034000       1.907000  
1 1 1 7  7  16 o 38.180  0.9573 -0.3051000     1.915000  
1 1 1 7  7  17 o 80.120  0.7654 0.6550000      1.531000  
1 1 1 7  7  18 o 50.410  0.8778 -1.313000      1.756000  
1 1 1 7  7  19 o 31.590  1.2610 1.923000       2.522000  
1 1 1 7  7  20 o 60.250  0.8347 3.012000       1.669000  
1 1 1 7  7  21 o 27.130  1.4810 3.705000       2.962000  
1 1 1 7  7  22 o 43.070  1.0240 0.3629000      2.048000  
1 1 1 7  7  23 o 23.200  1.7590 4.371000       3.518000  
1 1 1 7  7  24 o 22.760  1.9780 -1.675000      3.956000  
1 1 1 7  7  25 o 21.610  2.0770 1.414000       4.153000  
1 1 1 7  7  26 o 31.450  1.4700 1.608000       2.940000  
1 1 1 7  7  27 o 14.120  3.0510 1.522000       6.102000  
1 1 1 7  7  28 o 25.490  1.9700 -0.9365000     3.939000  
1 1 1 7  7  29 o 13.100  2.9220 -4.244000      5.844000  
1 1 1 7  7  30 o 13.740  3.0430 -1.908000      6.087000  
1 1 1 7  7  31 o 17.300  2.9260 -0.7872000     5.851000  
1 1 1 7  7  32 o 10.990  3.5330 2.058000       7.065000  
1 1 1 7  8  0  o 88.850  1.6210 -0.000000      0.000000  
1 1 1 7  8  1  o 70.130  1.1750 3.412000       2.351000  
1 1 1 7  8  2  o 88.620  0.8308 1.209000       1.662000  
1 1 1 7  8  3  o 43.980  0.6671 3.055000       1.334000  
1 1 1 7  8  4  o 8.5690  1.6900 2.824000       3.379000  
1 1 1 7  8  5  o 29.200  0.5897 0.9753000      1.179000  
1 1 1 7  8  6  o 68.180  0.5864 1.984000       1.173000  
1 1 1 7  8  7  o 29.560  0.6855 3.340000       1.371000  
1 1 1 7  8  8  o 74.900  0.6347 0.7779000      1.269000  
1 1 1 7  8  9  o 54.370  0.6242 0.5346000      1.248000  
1 1 1 7  8  10 o 74.370  0.6721 2.198000       1.344000  
1 1 1 7  8  11 o 49.030  0.6992 2.755000       1.398000  
1 1 1 7  8  12 o 45.700  0.7778 0.1783000      1.556000  
1 1 1 7  8  13 o 63.640  0.7002 0.1169000      1.400000  
1 1 1 7  8  14 o 58.030  0.7521 0.2652000      1.504000  
1 1 1 7  8  15 o 34.140  1.0530 1.481000       2.105000  
1 1 1 7  8  16 o 20.870  1.7180 0.8591000      3.435000  
1 1 1 7  8  17 o 32.410  1.1460 1.767000       2.292000  
1 1 1 7  8  18 o 36.860  1.0870 1.556000       2.175000  
1 1 1 7  8  19 o 16.290  2.4790 -0.8113000     4.958000  
1 1 1 7  8  20 o 27.370  1.5210 -3.489000      3.043000  
1 1 1 7  8  21 o 19.390  2.3210 -2.239000      4.643000  
1 1 1 7  8  22 o 28.900  1.4320 -0.2272000     2.864000  
1 1 1 7  8  23 o 11.190  2.9380 -0.3751000     5.876000  
1 1 1 7  8  24 o 46.610  1.0560 -3.277000      2.111000  
1 1 1 7  8  25 o 46.490  1.0730 -2.625000      2.145000  
1 1 1 7  8  26 o 14.330  2.9140 6.152000       5.828000  
1 1 1 7  8  27 o 8.9270  2.7530 1.217000       5.506000  
1 1 1 7  8  28 o 14.800  2.8460 -6.904000      5.693000  
1 1 1 7  8  29 o 8.6430  2.7050 -1.165000      5.410000  
1 1 1 7  8  30 o 10.590  2.9140 -3.435000      5.828000  
1 1 1 7  8  31 o 13.400  3.1820 -0.1676000     6.364000  
1 1 1 7  9  0  o 59.360  1.9080 -0.000000      0.000000  
1 1 1 7  9  1  o 95.430  1.1740 0.3068000      2.347000  
1 1 1 7  9  2  o 90.870  0.9738 -4.332000      1.948000  
1 1 1 7  9  3  o 37.340  0.7376 0.6825000      1.475000  
1 1 1 7  9  4  o 34.480  0.5219 -2.576000      1.044000  
1 1 1 7  9  5  o 43.750  0.5493 -1.375000      1.099000  
1 1 1 7  9  6  o 35.230  0.6100 1.460000       1.220000  
1 1 1 7  9  7  o 31.770  0.7090 -0.3092000     1.418000  
1 1 1 7  9  8  o 116.400 0.8263 1.674000       1.653000  
1 1 1 7  9  9  o 29.480  0.8461 -1.201000      1.692000  
1 1 1 7  9  10 o 53.260  0.6797 2.364000       1.359000  
1 1 1 7  9  11 o 124.600 0.8862 -0.6423000     1.772000  
1 1 1 7  9  12 o 52.660  0.7247 -0.9961000     1.449000  
1 1 1 7  9  13 o 22.540  1.4380 1.606000       2.877000  
1 1 1 7  9  14 f 20.380  1.6580 1.094000       3.316000  
1 1 1 7  9  15 o 51.890  0.8080 -1.258000      1.616000  
1 1 1 7  9  16 f 48.290  0.8593 1.543000       1.719000  
1 1 1 7  9  17 f 32.790  1.2020 -5.209000      2.403000  
1 1 1 7  9  18 o 9.9600  2.6730 4.284000       5.345000  
1 1 1 7  9  19 o 29.220  1.3910 5.142000       2.783000  
1 1 1 7  9  20 o 10.390  2.7910 3.899000       5.582000  
1 1 1 7  9  21 o 35.810  1.2440 -3.783000      2.487000  
1 1 1 7  9  22 o 31.350  1.4680 4.444000       2.936000  
1 1 1 7  9  23 o 20.890  2.2820 5.354000       4.563000  
1 1 1 7  9  24 o 47.830  0.9992 -0.9477000     1.998000  
1 1 1 7  9  25 o 13.080  2.6060 10.55000       5.213000  
1 1 1 7  9  26 o 25.250  1.8750 -2.662000      3.749000  
1 1 1 7  9  27 o 14.130  2.8680 -4.814000      5.737000  
1 1 1 7  9  28 o 11.420  2.7300 -6.968000      5.459000  
1 1 1 7  9  29 o 8.1170  2.5980 0.8624000E-01  5.196000  
1 1 1 7  9  30 o 10.290  2.9130 3.212000       5.825000  
1 1 1 7  10 0  o 127.000 1.8810 -0.000000      0.000000  
1 1 1 7  10 1  o 80.330  0.9812 -16.72000      1.962000  
1 1 1 7  10 2  o 104.700 1.0260 -0.3156000     2.053000  
1 1 1 7  10 3  o 88.800  0.9785 -3.210000      1.957000  
1 1 1 7  10 4  o 38.860  0.5767 0.1767000      1.153000  
1 1 1 7  10 5  o 39.310  0.5968 -3.083000      1.194000  
1 1 1 7  10 6  o 7.0430  1.9400 0.1457000      3.881000  
1 1 1 7  10 7  o 50.590  0.6121 -0.6963000     1.224000  
1 1 1 7  10 8  o 54.310  0.6255 -0.4477000     1.251000  
1 1 1 7  10 9  o 20.760  1.2030 3.928000       2.407000  
1 1 1 7  10 10 o 35.010  0.8475 3.784000       1.695000  
1 1 1 7  10 11 o 42.670  0.7846 1.227000       1.569000  
1 1 1 7  10 12 o 62.670  0.7026 2.501000       1.405000  
1 1 1 7  10 13 o 34.180  1.0450 -3.767000      2.090000  
1 1 1 7  10 14 o 15.470  2.2550 -7.764000      4.511000  
1 1 1 7  10 15 o 51.990  0.7986 2.819000       1.597000  
1 1 1 7  10 16 o 24.420  1.5780 -4.164000      3.156000  
1 1 1 7  10 17 o 42.080  0.9597 -0.1088000     1.919000  
1 1 1 7  10 18 o 61.530  0.8136 0.5722000E-04  1.627000  
1 1 1 7  10 19 o 53.360  0.8775 -1.027000      1.755000  
1 1 1 7  10 20 o 24.350  1.7790 1.695000       3.558000  
1 1 1 7  10 21 o 25.960  1.7840 -4.307000      3.567000  
1 1 1 7  10 22 o 34.200  1.3640 -2.737000      2.727000  
1 1 1 7  10 23 o 8.9660  2.6680 -2.322000      5.335000  
1 1 1 7  10 24 o 25.620  1.8830 -5.432000      3.765000  
1 1 1 7  10 25 o 13.170  2.7390 -6.745000      5.479000  
1 1 1 7  10 26 o 11.560  2.8980 4.519000       5.797000  
1 1 1 7  10 27 o 6.6970  2.2820 0.3417000      4.565000  
1 1 1 7  10 28 o 11.220  2.9510 0.7507000      5.901000  
1 1 1 7  10 29 o 8.7160  2.5970 5.490000       5.193000  
1 1 1 7  11 0  o 4.1600  2.4970 -0.000000      0.000000  
1 1 1 7  11 1  f 18.740  0.7607 1.073000       1.521000  
1 1 1 7  11 2  o 31.580  0.5886 -2.306000      1.177000  
1 1 1 7  11 3  o 68.510  0.7156 -0.5146000     1.431000  
1 1 1 7  11 4  o 87.990  0.7417 1.545000       1.483000  
1 1 1 7  11 5  o 55.850  0.6416 0.1513000      1.283000  
1 1 1 7  11 6  o 92.640  0.8147 4.028000       1.629000  
1 1 1 7  11 7  o 45.360  0.6736 -0.8079000     1.347000  
1 1 1 7  11 8  o 48.730  0.6750 -1.009000      1.350000  
1 1 1 7  11 9  o 96.950  0.7607 2.186000       1.521000  
1 1 1 7  11 10 o 21.810  1.3820 -0.7136000     2.763000  
1 1 1 7  11 11 o 53.210  0.7537 -3.092000      1.507000  
1 1 1 7  11 12 o 45.870  0.8095 -0.2166000     1.619000  
1 1 1 7  11 13 o 72.050  0.7452 2.790000       1.490000  
1 1 1 7  11 14 o 10.070  2.5370 4.225000       5.073000  
1 1 1 7  11 15 o 63.840  0.7729 -2.100000      1.546000  
1 1 1 7  11 16 o 18.700  2.1370 -1.629000      4.275000  
1 1 1 7  11 17 o 74.440  0.7730 -0.6520000E-01 1.546000  
1 1 1 7  11 18 o 28.750  1.3960 0.2434000      2.793000  
1 1 1 7  11 19 o 16.050  2.5330 -1.751000      5.067000  
1 1 1 7  11 20 o 18.220  2.3630 -0.5335000     4.726000  
1 1 1 7  11 21 o 9.7910  2.7830 -0.8060000     5.565000  
1 1 1 7  11 22 o 30.060  1.5190 -3.671000      3.037000  
1 1 1 7  11 23 o 33.960  1.3540 -0.4268000     2.708000  
1 1 1 7  11 24 o 12.780  3.0080 0.3351000      6.017000  
1 1 1 7  11 25 o 17.410  2.6880 1.308000       5.377000  
1 1 1 7  11 26 o 8.8710  2.7380 2.016000       5.475000  
1 1 1 7  11 27 o 12.740  2.6780 7.404000       5.356000  
1 1 1 7  11 28 o 9.9520  2.8170 -2.888000      5.635000  
1 1 1 7  12 0  o 30.860  1.6800 -0.000000      0.000000  
1 1 1 7  12 1  o 74.170  0.6513 0.4613000      1.303000  
1 1 1 7  12 2  o 50.580  0.6862 -1.381000      1.372000  
1 1 1 7  12 3  o 49.940  0.7733 -2.547000      1.547000  
1 1 1 7  12 4  o 43.510  0.7083 0.2829000      1.417000  
1 1 1 7  12 5  f 73.580  0.7155 1.592000       1.431000  
1 1 1 7  12 6  o 73.280  0.7322 0.3451000      1.464000  
1 1 1 7  12 7  o 58.040  0.6729 1.109000       1.346000  
1 1 1 7  12 8  o 45.620  0.8060 2.043000       1.612000  
1 1 1 7  12 9  o 18.440  1.5800 -1.347000      3.160000  
1 1 1 7  12 10 o 40.550  0.8559 0.4175000      1.712000  
1 1 1 7  12 11 o 13.660  2.3470 4.096000       4.694000  
1 1 1 7  12 12 o 35.580  1.0140 1.450000       2.029000  
1 1 1 7  12 13 o 54.250  0.8191 2.653000       1.638000  
1 1 1 7  12 14 o 44.210  0.9217 -2.570000      1.843000  
1 1 1 7  12 15 o 53.140  0.8697 -0.2399000     1.739000  
1 1 1 7  12 16 o 20.150  1.8950 1.001000       3.790000  
1 1 1 7  12 17 o 26.690  1.4990 -3.085000      2.998000  
1 1 1 7  12 18 o 15.930  2.5010 -2.626000      5.001000  
1 1 1 7  12 19 o 31.840  1.3700 -3.226000      2.740000  
1 1 1 7  12 20 o 30.150  1.4420 -3.648000      2.883000  
1 1 1 7  12 21 o 12.890  2.8810 -2.566000      5.761000  
1 1 1 7  12 22 o 8.4630  2.6230 -0.9105000E-01 5.247000  
1 1 1 7  12 23 o 11.030  2.9620 0.3361000      5.925000  
1 1 1 7  12 24 o 9.6250  2.5870 -5.676000      5.174000  
1 1 1 7  12 25 o 12.590  3.0330 0.4480000      6.067000  
1 1 1 7  12 26 o 13.330  3.0610 -1.704000      6.121000  
1 1 1 7  12 27 o 21.610  2.6490 8.009000       5.297000  
1 1 1 7  13 0  o 28.990  2.1330 -0.000000      0.000000  
1 1 1 7  13 1  f 73.820  0.6943 -0.4205000     1.389000  
1 1 1 7  13 2  o 57.220  1.1440 -8.850000      2.289000  
1 1 1 7  13 3  o 88.980  0.7850 -2.848000      1.570000  
1 1 1 7  13 4  o 61.100  0.7392 -1.388000      1.478000  
1 1 1 7  13 5  o 32.250  0.9768 -2.622000      1.954000  
1 1 1 7  13 6  o 21.180  1.5410 0.4689000      3.081000  
1 1 1 7  13 7  o 28.350  1.1460 -1.194000      2.292000  
1 1 1 7  13 8  o 60.470  0.8481 -0.7316000     1.696000  
1 1 1 7  13 9  f 30.900  1.0330 -0.9093000     2.066000  
1 1 1 7  13 10 o 37.890  0.9728 1.998000       1.946000  
1 1 1 7  13 11 o 27.870  1.3160 -0.6234000     2.631000  
1 1 1 7  13 12 o 20.570  1.8910 8.889000       3.782000  
1 1 1 7  13 13 o 24.880  1.5620 1.287000       3.124000  
1 1 1 7  13 14 o 12.170  2.6200 -5.651000      5.240000  
1 1 1 7  13 15 o 23.370  1.7850 -0.8197000     3.569000  
1 1 1 7  13 16 o 42.240  1.0740 2.162000       2.148000  
1 1 1 7  13 17 o 10.480  2.7230 6.782000       5.445000  
1 1 1 7  13 18 o 15.070  2.4720 -9.095000      4.944000  
1 1 1 7  13 19 o 11.470  2.8740 6.205000       5.749000  
1 1 1 7  13 20 o 15.840  2.7270 9.483000       5.455000  
1 1 1 7  13 21 o 26.630  1.7910 2.660000       3.583000  
1 1 1 7  13 22 o 11.950  2.8580 -2.682000      5.716000  
1 1 1 7  13 23 o 9.2120  2.6750 -2.979000      5.350000  
1 1 1 7  13 24 o 12.640  2.9780 4.763000       5.957000  
1 1 1 7  13 25 o 10.370  2.8990 0.1439000      5.799000  
1 1 1 7  14 0  o 67.210  1.0100 -0.000000      0.000000  
1 1 1 7  14 1  o 37.490  1.1200 ?              ?         
1 1 1 7  14 2  o 54.580  0.9108 1.580000       1.822000  
1 1 1 7  14 3  o 67.440  0.8530 0.8252000      1.706000  
1 1 1 7  14 4  o 35.050  1.1390 -0.2029000     2.278000  
1 1 1 7  14 5  o 48.150  0.8961 2.114000       1.792000  
1 1 1 7  14 6  o 63.670  0.7920 0.6986000      1.584000  
1 1 1 7  14 7  o 35.030  1.0580 0.3239000      2.117000  
1 1 1 7  14 8  f 44.600  0.9312 1.529000       1.862000  
1 1 1 7  14 9  o 22.420  1.6530 -0.3941000     3.307000  
1 1 1 7  14 10 o 17.740  2.0880 10.74000       4.177000  
1 1 1 7  14 11 o 42.960  0.9165 -2.237000      1.833000  
1 1 1 7  14 12 o 7.6770  2.3950 0.7832000      4.791000  
1 1 1 7  14 13 o 21.130  1.9610 -6.235000      3.922000  
1 1 1 7  14 14 o 59.680  0.8464 0.1346000      1.693000  
1 1 1 7  14 15 f 40.190  1.0800 0.3368000E-02  2.160000  
1 1 1 7  14 16 o 18.040  2.4330 4.373000       4.865000  
1 1 1 7  14 17 o 17.510  2.4600 4.690000       4.921000  
1 1 1 7  14 18 o 22.970  1.8670 -1.596000      3.734000  
1 1 1 7  14 19 o 13.970  2.9130 1.251000       5.826000  
1 1 1 7  14 20 o 13.870  2.7830 6.202000       5.566000  
1 1 1 7  14 21 o 24.880  1.8080 2.641000       3.616000  
1 1 1 7  14 22 o 8.1670  2.5490 -0.7040000     5.099000  
1 1 1 7  14 23 f 11.790  2.9790 0.6437000      5.959000  
1 1 1 7  14 24 o 11.370  3.6770 0.8971000      7.355000  
1 1 1 7  15 0  o 9.6490  4.3550 -0.000000      0.000000  
1 1 1 7  15 1  o 60.500  0.8557 0.8600000      1.711000  
1 1 1 7  15 2  o 44.700  0.9770 0.7848000      1.954000  
1 1 1 7  15 3  o 38.720  1.0740 0.3210000      2.148000  
1 1 1 7  15 4  o 25.170  1.5290 -1.980000      3.058000  
1 1 1 7  15 5  o 39.200  1.0780 -2.247000      2.157000  
1 1 1 7  15 6  o 32.400  1.2000 2.051000       2.401000  
1 1 1 7  15 7  o 22.470  1.7710 4.155000       3.542000  
1 1 1 7  15 8  o 20.290  1.9910 1.074000       3.983000  
1 1 1 7  15 9  o 28.100  1.3880 0.3987000      2.776000  
1 1 1 7  15 10 o 26.330  1.5220 -1.643000      3.044000  
1 1 1 7  15 11 o 28.080  1.5000 2.139000       3.000000  
1 1 1 7  15 12 o 16.530  2.2700 -0.3407000     4.540000  
1 1 1 7  15 13 o 31.970  1.2220 -0.9245000     2.444000  
1 1 1 7  15 14 o 35.030  1.1470 -1.200000      2.294000  
1 1 1 7  15 15 o 32.800  1.2610 6.145000       2.522000  
1 1 1 7  15 16 o 13.040  2.5650 8.015000       5.130000  
1 1 1 7  15 17 o 18.630  2.2680 4.616000       4.535000  
1 1 1 7  15 18 o 18.560  2.3560 -0.4409000E-01 4.713000  
1 1 1 7  15 19 o 9.1810  2.5360 -4.331000      5.071000  
1 1 1 7  15 20 o 16.420  2.6830 0.2783000      5.366000  
1 1 1 7  15 21 o 11.450  2.8830 -2.633000      5.765000  
1 1 1 7  15 22 o 9.8050  3.3250 1.135000       6.651000  
1 1 1 7  16 0  o 22.180  3.5030 -0.000000      0.000000  
1 1 1 7  16 1  o 21.260  2.0790 -0.3329000     4.158000  
1 1 1 7  16 2  o 20.060  2.3100 7.521000       4.620000  
1 1 1 7  16 3  f 28.730  1.5210 0.7559000      3.041000  
1 1 1 7  16 4  o 26.480  1.6140 0.3138000      3.228000  
1 1 1 7  16 5  o 53.570  0.9145 3.051000       1.829000  
1 1 1 7  16 6  o 13.410  2.8040 -3.852000      5.609000  
1 1 1 7  16 7  o 37.540  1.1800 1.425000       2.361000  
1 1 1 7  16 8  o 26.960  1.5120 0.2742000      3.024000  
1 1 1 7  16 9  o 17.670  2.3850 -0.5513000     4.770000  
1 1 1 7  16 10 o 10.190  2.7250 1.688000       5.450000  
1 1 1 7  16 11 o 18.770  2.1830 0.2714000      4.366000  
1 1 1 7  16 12 o 6.1930  2.1020 0.5834000      4.203000  
1 1 1 7  16 13 o 8.0630  2.3690 4.478000       4.737000  
1 1 1 7  16 14 o 17.760  2.1520 -0.2172000     4.305000  
1 1 1 7  16 15 o 19.740  2.0760 4.272000       4.152000  
1 1 1 7  16 16 o 8.3360  2.4720 5.499000       4.945000  
1 1 1 7  16 17 o 6.7280  2.2400 0.5922000      4.480000  
1 1 1 7  16 18 o 10.310  2.7620 4.234000       5.524000  
1 1 1 7  16 19 o 9.1240  2.6990 2.314000       5.398000  
1 1 1 7  17 0  o 52.880  1.2710 -0.000000      0.000000  
1 1 1 7  17 1  o 16.800  2.4610 2.079000       4.923000  
1 1 1 7  17 2  o 19.850  2.2160 2.150000       4.432000  
1 1 1 7  17 3  o 31.130  1.4520 2.181000       2.903000  
1 1 1 7  17 4  o 31.960  1.3730 2.436000       2.746000  
1 1 1 7  17 5  o 17.180  2.5270 4.142000       5.054000  
1 1 1 7  17 6  o 10.550  2.6660 2.271000       5.332000  
1 1 1 7  17 7  o 13.980  2.7480 -1.072000      5.497000  
1 1 1 7  17 8  o 12.850  2.7730 -3.320000      5.546000  
1 1 1 7  17 9  o 20.990  2.0520 1.770000       4.103000  
1 1 1 7  17 10 o 21.080  1.8220 -1.038000      3.644000  
1 1 1 7  17 11 o 10.430  2.7420 1.229000       5.484000  
1 1 1 7  17 12 o 14.510  2.5840 -1.882000      5.168000  
1 1 1 7  17 13 o 11.060  2.7380 1.737000       5.476000  
1 1 1 7  17 14 o 9.4140  2.7050 0.1848000      5.410000  
1 1 1 7  17 15 o 8.1430  2.4510 2.859000       4.901000  
1 1 1 7  17 16 o 15.170  2.5770 1.773000       5.154000  
1 1 1 7  17 17 o 7.7250  3.8710 ?              ?         
1 1 1 7  18 0  o 6.4230  3.9980 -0.000000      0.000000  
1 1 1 7  18 1  o 13.400  2.8160 2.847000       5.633000  
1 1 1 7  18 2  o 13.430  2.6540 0.7658000      5.308000  
1 1 1 7  18 3  o 7.8740  2.3930 1.791000       4.786000  
1 1 1 7  18 4  o 8.8640  2.5520 0.9187000      5.104000  
1 1 1 7  18 5  o 8.2810  2.4680 -0.5953000     4.937000  
1 1 1 7  18 6  o 16.250  2.3510 0.3702000      4.703000  
1 1 1 7  18 7  o 23.860  1.5790 0.2825000      3.157000  
1 1 1 7  18 8  o 8.0290  2.4340 -4.717000      4.868000  
1 1 1 7  18 9  o 11.390  2.7220 0.8970000E-01  5.445000  
1 1 1 7  18 10 o 8.7070  2.5140 -3.160000      5.028000  
1 1 1 7  18 11 o 13.490  2.2820 8.217000       4.565000  
1 1 1 7  18 12 o 7.7720  2.4100 -0.3826000     4.820000  
1 1 1 7  18 13 o 9.0010  2.5120 2.818000       5.023000  
1 1 1 7  19 0  o 10.360  4.4560 -0.000000      0.000000  
1 1 1 7  19 1  o 15.750  2.1040 -6.176000      4.208000  
1 1 1 7  19 2  o 8.8540  2.4750 -0.9614000E-01 4.949000  
1 1 1 7  19 3  o 17.650  1.8740 -2.220000      3.747000  
1 1 1 7  19 4  o 13.730  2.4110 -1.701000      4.823000  
1 1 1 7  19 5  o 15.570  2.1280 4.622000       4.256000  
1 1 1 7  19 6  o 12.390  2.1090 9.853000       4.217000  
1 1 1 7  19 7  o 17.110  1.9940 -0.4300000     3.988000  
1 1 1 7  19 8  o 10.340  2.9300 -2.578000      5.860000  
1 1 1 8  0  0  o 119.900 1.6540 -0.000000      0.000000  
1 1 1 8  0  1  o 71.480  0.9252 -0.000000      0.000000  
1 1 1 8  0  2  o 24.380  1.7210 -0.000000      0.000000  
1 1 1 8  0  3  o 11.370  3.9740 -0.000000      0.000000  
1 1 1 8  0  4  o 42.860  1.1160 -0.000000      0.000000  
1 1 1 8  0  5  o 84.460  0.9768 -0.000000      0.000000  
1 1 1 8  0  6  o 26.500  1.8240 -0.000000      0.000000  
1 1 1 8  0  7  o 6.2290  3.8480 -0.000000      0.000000  
1 1 1 8  0  8  o 43.400  1.1460 -0.000000      0.000000  
1 1 1 8  0  9  o 68.650  0.9951 -0.000000      0.000000  
1 1 1 8  0  10 o 138.700 1.3310 -0.000000      0.000000  
1 1 1 8  0  11 o 19.410  2.6410 -0.000000      0.000000  
1 1 1 8  0  12 o 36.830  1.4520 -0.000000      0.000000  
1 1 1 8  0  13 o 68.790  1.0400 -0.000000      0.000000  
1 1 1 8  0  14 o 62.500  1.0080 -0.000000      0.000000  
1 1 1 8  0  15 o 43.190  1.2490 -0.000000      0.000000  
1 1 1 8  0  16 o 94.270  1.0990 -0.000000      0.000000  
1 1 1 8  0  17 o 54.930  1.1520 -0.000000      0.000000  
1 1 1 8  0  18 o 66.470  1.1230 -0.000000      0.000000  
1 1 1 8  0  19 o 83.680  1.1310 -0.000000      0.000000  
1 1 1 8  0  20 o 68.930  1.1680 -0.000000      0.000000  
1 1 1 8  0  21 o 20.030  3.1790 -0.000000      0.000000  
1 1 1 8  0  22 o 27.280  2.2370 -0.000000      0.000000  
1 1 1 8  0  23 o 49.500  1.3390 -0.000000      0.000000  
1 1 1 8  0  24 f 21.760  2.8470 -0.000000      0.000000  
1 1 1 8  0  25 o 10.780  5.1480 -0.000000      0.000000  
1 1 1 8  0  26 o 9.0530  4.9310 -0.000000      0.000000  
1 1 1 8  0  27 o 7.9530  4.6610 -0.000000      0.000000  
1 1 1 8  0  28 o 11.160  5.2380 -0.000000      0.000000  
1 1 1 8  0  29 o 24.160  2.9450 -0.000000      0.000000  
1 1 1 8  0  30 o 21.590  3.2750 -0.000000      0.000000  
1 1 1 8  0  31 o 26.160  2.8030 -0.000000      0.000000  
1 1 1 8  0  32 f 24.670  3.5840 -0.000000      0.000000  
1 1 1 8  1  0  o 121.300 1.1780 -0.000000      0.000000  
1 1 1 8  1  1  o 78.480  0.6607 -0.6623000     1.321000  
1 1 1 8  1  2  o 29.060  1.0220 0.7335000      2.044000  
1 1 1 8  1  3  o 46.920  0.7350 -0.9743000     1.470000  
1 1 1 8  1  4  o 48.160  0.7362 1.909000       1.472000  
1 1 1 8  1  5  o 20.640  1.5300 1.205000       3.059000  
1 1 1 8  1  6  o 26.560  1.2550 -0.2679000     2.509000  
1 1 1 8  1  7  o 76.380  0.7154 -0.6935000E-02 1.431000  
1 1 1 8  1  8  o 19.270  1.8650 -1.820000      3.730000  
1 1 1 8  1  9  o 40.260  0.8917 2.745000       1.783000  
1 1 1 8  1  10 o 65.930  0.7145 -0.3209000     1.429000  
1 1 1 8  1  11 o 107.100 0.7977 1.236000       1.595000  
1 1 1 8  1  12 o 103.500 0.7895 2.739000       1.579000  
1 1 1 8  1  13 o 51.450  0.8124 0.2507000      1.625000  
1 1 1 8  1  14 o 36.520  1.1100 -1.110000      2.220000  
1 1 1 8  1  15 o 117.700 0.8467 -0.6921000     1.693000  
1 1 1 8  1  16 o 105.300 0.8002 1.750000       1.600000  
1 1 1 8  1  17 o 38.750  1.0520 -1.201000      2.104000  
1 1 1 8  1  18 o 35.190  1.1760 4.066000       2.351000  
1 1 1 8  1  19 o 58.050  0.8509 1.397000       1.702000  
1 1 1 8  1  20 o 32.260  1.3180 -0.3424000     2.635000  
1 1 1 8  1  21 o 66.980  0.8150 0.2164000      1.630000  
1 1 1 8  1  22 o 43.230  1.0690 -0.3707000     2.137000  
1 1 1 8  1  23 o 33.140  1.3360 -0.3841000     2.671000  
1 1 1 8  1  24 o 20.860  2.0830 -2.491000      4.166000  
1 1 1 8  1  25 o 30.030  1.4510 -2.318000      2.902000  
1 1 1 8  1  26 o 16.860  2.6140 3.188000       5.228000  
1 1 1 8  1  27 o 40.480  1.1530 -1.829000      2.307000  
1 1 1 8  1  28 o 25.330  1.8500 -0.1307000     3.700000  
1 1 1 8  1  29 o 13.560  2.9040 5.286000       5.808000  
1 1 1 8  1  30 o 10.710  2.7780 -6.339000      5.557000  
1 1 1 8  1  31 o 9.5750  2.7320 6.464000       5.464000  
1 1 1 8  1  32 o 14.820  3.0580 6.027000       6.116000  
1 1 1 8  2  0  o 35.110  1.2400 -0.000000      0.000000  
1 1 1 8  2  1  o 55.700  0.6791 -0.7843000     1.358000  
1 1 1 8  2  2  o 52.900  0.6744 1.351000       1.349000  
1 1 1 8  2  3  o 29.600  1.0390 -5.648000      2.077000  
1 1 1 8  2  4  o 33.870  0.9308 -0.6681000     1.862000  
1 1 1 8  2  5  o 40.010  0.8527 -0.9931000     1.705000  
1 1 1 8  2  6  o 35.440  0.9440 -1.361000      1.888000  
1 1 1 8  2  7  o 38.860  1.0240 -0.3361000     2.048000  
1 1 1 8  2  8  o 54.140  0.7927 2.447000       1.585000  
1 1 1 8  2  9  o 85.910  0.7536 -0.3973000     1.507000  
1 1 1 8  2  10 o 82.550  0.7182 -0.2260000     1.436000  
1 1 1 8  2  11 o 92.490  0.7428 0.3661000      1.486000  
1 1 1 8  2  12 o 62.700  0.7341 1.505000       1.468000  
1 1 1 8  2  13 o 44.090  0.8997 2.077000       1.799000  
1 1 1 8  2  14 o 87.910  0.7755 -0.7959000     1.551000  
1 1 1 8  2  15 o 74.000  0.7643 0.6550000      1.529000  
1 1 1 8  2  16 o 47.970  0.8779 -1.166000      1.756000  
1 1 1 8  2  17 o 96.620  0.7767 -0.6694000     1.553000  
1 1 1 8  2  18 o 12.010  2.7260 3.814000       5.451000  
1 1 1 8  2  19 o 39.390  1.0690 -4.232000      2.137000  
1 1 1 8  2  20 o 39.670  1.0830 3.261000       2.166000  
1 1 1 8  2  21 o 40.040  1.0950 2.969000       2.189000  
1 1 1 8  2  22 o 21.850  1.9560 5.810000       3.912000  
1 1 1 8  2  23 o 7.4180  2.4250 -0.1885000     4.849000  
1 1 1 8  2  24 o 12.830  2.9350 0.1607000      5.869000  
1 1 1 8  2  25 o 26.360  1.6550 2.105000       3.309000  
1 1 1 8  2  26 o 9.3230  2.7740 0.4968000      5.548000  
1 1 1 8  2  27 o 16.330  2.7520 1.836000       5.504000  
1 1 1 8  2  28 o 12.370  2.9600 4.377000       5.919000  
1 1 1 8  2  29 o 15.510  3.0220 -4.251000      6.043000  
1 1 1 8  2  30 o 12.910  2.8700 -6.990000      5.740000  
1 1 1 8  2  31 o 10.430  2.7900 -6.165000      5.580000  
1 1 1 8  2  32 o 15.100  2.6660 -12.28000      5.333000  
1 1 1 8  3  0  o 74.490  0.9313 -0.000000      0.000000  
1 1 1 8  3  1  o 81.020  0.6728 -0.3810000     1.346000  
1 1 1 8  3  2  o 81.390  0.6708 0.6632000      1.342000  
1 1 1 8  3  3  o 78.000  0.6656 -1.131000      1.331000  
1 1 1 8  3  4  o 27.940  1.0920 -4.273000      2.184000  
1 1 1 8  3  5  o 57.050  0.7073 0.7696000      1.415000  
1 1 1 8  3  6  o 51.970  0.7473 1.818000       1.495000  
1 1 1 8  3  7  o 55.270  0.7615 1.917000       1.523000  
1 1 1 8  3  8  o 40.260  0.9111 -1.420000      1.822000  
1 1 1 8  3  9  o 50.300  0.8093 2.505000       1.619000  
1 1 1 8  3  10 o 56.720  0.8037 -0.9378000     1.607000  
1 1 1 8  3  11 o 64.210  0.7071 0.7711000      1.414000  
1 1 1 8  3  12 o 82.540  0.7318 -0.1737000     1.464000  
1 1 1 8  3  13 o 86.680  0.7954 2.340000       1.591000  
1 1 1 8  3  14 o 75.820  0.7559 2.162000       1.512000  
1 1 1 8  3  15 o 51.900  0.8602 -1.147000      1.720000  
1 1 1 8  3  16 o 46.110  0.9188 2.718000       1.838000  
1 1 1 8  3  17 o 24.110  1.6820 1.214000       3.364000  
1 1 1 8  3  18 o 21.770  1.8350 -2.003000      3.671000  
1 1 1 8  3  19 o 15.320  2.4490 -2.742000      4.898000  
1 1 1 8  3  20 o 35.130  1.1760 -0.3179000     2.353000  
1 1 1 8  3  21 o 26.120  1.6320 6.242000       3.265000  
1 1 1 8  3  22 o 21.670  2.0200 5.506000       4.041000  
1 1 1 8  3  23 o 27.240  1.6500 -1.278000      3.301000  
1 1 1 8  3  24 o 18.600  2.4460 0.7884000      4.892000  
1 1 1 8  3  25 o 13.820  2.9330 0.2211000E-02  5.865000  
1 1 1 8  3  26 o 7.8840  2.5220 2.331000       5.044000  
1 1 1 8  3  27 o 16.040  2.7800 5.878000       5.559000  
1 1 1 8  3  28 o 21.360  2.2940 -0.3386000     4.588000  
1 1 1 8  3  29 f 22.000  2.3450 1.627000       4.690000  
1 1 1 8  3  30 o 9.7050  2.8680 2.268000       5.737000  
1 1 1 8  3  31 o 22.120  2.4200 -3.059000      4.840000  
1 1 1 8  3  32 o 17.440  3.0570 0.7484000      6.113000  
1 1 1 8  4  0  o 27.280  1.4680 -0.000000      0.000000  
1 1 1 8  4  1  o 74.460  0.6620 -2.039000      1.324000  
1 1 1 8  4  2  o 89.560  0.6991 -2.110000      1.398000  
1 1 1 8  4  3  o 120.500 0.8346 -2.071000      1.669000  
1 1 1 8  4  4  o 47.840  0.7402 -0.6896000     1.480000  
1 1 1 8  4  5  o 15.540  1.9840 0.2833000      3.969000  
1 1 1 8  4  6  o 56.500  0.7305 3.364000       1.461000  
1 1 1 8  4  7  f 44.130  0.8283 -1.132000      1.657000  
1 1 1 8  4  8  o 99.160  0.7943 0.3926000      1.589000  
1 1 1 8  4  9  o 107.000 0.8612 -2.438000      1.722000  
1 1 1 8  4  10 o 52.890  0.7185 0.1988000      1.437000  
1 1 1 8  4  11 o 63.570  0.7051 -2.390000      1.410000  
1 1 1 8  4  12 o 69.820  0.7228 -1.633000      1.446000  
1 1 1 8  4  13 o 83.300  0.7480 -0.1908000     1.496000  
1 1 1 8  4  14 o 96.180  0.7865 -0.7803000     1.573000  
1 1 1 8  4  15 o 19.650  1.9250 -0.8945000     3.850000  
1 1 1 8  4  16 o 11.800  2.7340 0.7238000      5.468000  
1 1 1 8  4  17 o 45.170  0.9361 -1.235000      1.872000  
1 1 1 8  4  18 o 18.260  2.2260 -0.9347000     4.451000  
1 1 1 8  4  19 o 69.270  0.7667 0.3408000      1.533000  
1 1 1 8  4  20 o 14.850  2.6950 -1.479000      5.390000  
1 1 1 8  4  21 o 26.250  1.5900 0.1427000      3.179000  
1 1 1 8  4  22 o 23.990  1.7830 2.875000       3.566000  
1 1 1 8  4  23 o 28.940  1.4490 4.104000       2.899000  
1 1 1 8  4  24 o 12.480  2.7790 6.298000       5.558000  
1 1 1 8  4  25 o 20.560  2.2170 3.132000       4.434000  
1 1 1 8  4  26 o 12.430  2.6550 -7.929000      5.310000  
1 1 1 8  4  27 o 14.240  2.6240 10.20000       5.248000  
1 1 1 8  4  28 o 9.4930  2.8270 3.199000       5.654000  
1 1 1 8  4  29 o 16.830  2.8800 -1.408000      5.761000  
1 1 1 8  4  30 o 16.080  2.8280 -8.825000      5.656000  
1 1 1 8  4  31 o 16.980  3.0300 -1.930000      6.060000  
1 1 1 8  4  32 x ?       ?      ?              ?         
1 1 1 8  5  0  o 44.320  0.9584 -0.000000      0.000000  
1 1 1 8  5  1  o 63.060  0.6299 -0.5700000     1.260000  
1 1 1 8  5  2  o 95.610  0.7196 0.5870000      1.439000  
1 1 1 8  5  3  o 31.780  0.9020 -1.124000      1.804000  
1 1 1 8  5  4  o 47.460  0.6996 -0.3676000     1.399000  
1 1 1 8  5  5  o 39.520  0.7764 -1.373000      1.553000  
1 1 1 8  5  6  o 57.890  0.6838 -1.806000      1.368000  
1 1 1 8  5  7  o 18.270  1.8450 8.235000       3.690000  
1 1 1 8  5  8  o 18.640  1.7470 6.035000       3.494000  
1 1 1 8  5  9  o 102.800 0.7757 -0.9369000     1.551000  
1 1 1 8  5  10 o 44.120  0.8010 1.281000       1.602000  
1 1 1 8  5  11 o 77.820  0.7206 0.4970000      1.441000  
1 1 1 8  5  12 o 83.690  0.7384 -2.690000      1.477000  
1 1 1 8  5  13 o 33.440  1.0160 1.412000       2.032000  
1 1 1 8  5  14 o 29.870  1.1700 0.6862000      2.339000  
1 1 1 8  5  15 o 23.370  1.5520 -2.596000      3.105000  
1 1 1 8  5  16 o 36.330  1.0940 -2.265000      2.189000  
1 1 1 8  5  17 o 20.470  2.0690 -5.617000      4.139000  
1 1 1 8  5  18 o 72.090  0.7901 -2.185000      1.580000  
1 1 1 8  5  19 o 58.520  0.8493 -0.5512000     1.699000  
1 1 1 8  5  20 o 11.890  2.7280 4.901000       5.456000  
1 1 1 8  5  21 o 42.230  1.0310 3.664000       2.063000  
1 1 1 8  5  22 o 35.760  1.1940 0.3772000      2.387000  
1 1 1 8  5  23 o 43.360  1.0610 0.1980000E-01  2.123000  
1 1 1 8  5  24 o 17.050  2.5930 -2.370000      5.186000  
1 1 1 8  5  25 o 23.500  1.9450 -0.9278000     3.891000  
1 1 1 8  5  26 o 9.8660  2.7800 -1.998000      5.559000  
1 1 1 8  5  27 o 23.850  2.0210 -2.476000      4.043000  
1 1 1 8  5  28 o 11.850  2.7520 -7.984000      5.504000  
1 1 1 8  5  29 o 9.6420  2.8780 -0.5341000     5.756000  
1 1 1 8  5  30 o 23.850  2.0440 -3.155000      4.087000  
1 1 1 8  5  31 o 11.570  3.1330 -1.254000      6.266000  
1 1 1 8  6  0  o 91.750  0.9919 -0.000000      0.000000  
1 1 1 8  6  1  o 48.670  0.6086 -1.357000      1.217000  
1 1 1 8  6  2  o 51.740  0.6320 -3.113000      1.264000  
1 1 1 8  6  3  o 125.100 0.8930 0.2593000      1.786000  
1 1 1 8  6  4  o 32.320  0.7616 0.3163000      1.523000  
1 1 1 8  6  5  o 53.790  0.6549 0.3831000      1.310000  
1 1 1 8  6  6  o 64.540  0.6794 0.4975000      1.359000  
1 1 1 8  6  7  o 85.880  0.7343 -1.127000      1.469000  
1 1 1 8  6  8  o 11.230  2.0510 -4.590000      4.102000  
1 1 1 8  6  9  o 55.870  0.6773 -0.7417000     1.355000  
1 1 1 8  6  10 o 46.690  0.7549 -0.5339000     1.510000  
1 1 1 8  6  11 o 33.200  0.9793 -2.382000      1.959000  
1 1 1 8  6  12 o 40.850  0.8655 -0.4367000     1.731000  
1 1 1 8  6  13 o 38.670  0.9119 0.3649000      1.824000  
1 1 1 8  6  14 o 47.450  0.8224 -1.951000      1.645000  
1 1 1 8  6  15 o 41.560  0.9455 -0.9255000     1.891000  
1 1 1 8  6  16 o 74.860  0.7638 -0.8666000E-01 1.528000  
1 1 1 8  6  17 o 45.130  0.9459 0.1734000      1.892000  
1 1 1 8  6  18 o 54.310  0.8653 -0.6982000     1.731000  
1 1 1 8  6  19 o 17.390  2.4180 -2.627000      4.837000  
1 1 1 8  6  20 o 19.960  2.8270 -10.16000      5.654000  
1 1 1 8  6  21 o 48.710  0.9811 3.205000       1.962000  
1 1 1 8  6  22 o 31.110  1.3560 -0.7999000     2.712000  
1 1 1 8  6  23 o 38.470  1.1140 -2.009000      2.228000  
1 1 1 8  6  24 o 23.160  1.9460 -2.203000      3.892000  
1 1 1 8  6  25 o 24.890  1.9560 -10.11000      3.913000  
1 1 1 8  6  26 o 20.320  2.4360 3.509000       4.872000  
1 1 1 8  6  27 o 10.880  2.9970 1.329000       5.993000  
1 1 1 8  6  28 f 11.610  2.9800 -0.1632000     5.959000  
1 1 1 8  6  29 o 9.7830  2.8760 2.282000       5.753000  
1 1 1 8  6  30 o 14.950  2.9730 -4.440000      5.946000  
1 1 1 8  6  31 o 9.0400  3.2140 0.8459000      6.428000  
1 1 1 8  7  0  o 72.710  0.8765 -0.000000      0.000000  
1 1 1 8  7  1  o 18.110  0.9322 0.2920000      1.864000  
1 1 1 8  7  2  o 18.090  0.9972 0.3584000      1.994000  
1 1 1 8  7  3  o 79.690  0.6766 0.2234000E-01  1.353000  
1 1 1 8  7  4  o 76.890  0.6876 0.2578000      1.375000  
1 1 1 8  7  5  o 44.530  0.7080 2.827000       1.416000  
1 1 1 8  7  6  o 34.830  0.7939 -2.210000      1.588000  
1 1 1 8  7  7  o 15.850  2.8820 8.546000       5.765000  
1 1 1 8  7  8  o 53.680  0.6404 1.142000       1.281000  
1 1 1 8  7  9  o 32.780  0.8511 -0.9349000     1.702000  
1 1 1 8  7  10 o 42.740  0.7426 0.9971000      1.485000  
1 1 1 8  7  11 o 46.440  0.7403 -0.9177000     1.481000  
1 1 1 8  7  12 o 55.150  0.7271 -1.448000      1.454000  
1 1 1 8  7  13 o 31.650  1.0590 -1.738000      2.119000  
1 1 1 8  7  14 o 64.510  0.7625 0.4791000      1.525000  
1 1 1 8  7  15 o 54.540  0.7859 1.587000       1.572000  
1 1 1 8  7  16 o 50.030  0.8425 -0.9807000     1.685000  
1 1 1 8  7  17 o 50.800  0.8500 2.649000       1.700000  
1 1 1 8  7  18 o 53.080  0.8721 -2.176000      1.744000  
1 1 1 8  7  19 o 23.220  1.7910 -2.094000      3.582000  
1 1 1 8  7  20 o 17.650  2.3880 -1.884000      4.775000  
1 1 1 8  7  21 o 25.610  1.6950 -2.353000      3.390000  
1 1 1 8  7  22 o 14.070  2.8760 2.360000       5.752000  
1 1 1 8  7  23 o 21.740  2.0280 -0.3991000     4.055000  
1 1 1 8  7  24 o 12.310  2.9150 1.596000       5.831000  
1 1 1 8  7  25 o 15.020  2.9510 2.702000       5.902000  
1 1 1 8  7  26 o 12.850  2.1450 -14.02000      4.289000  
1 1 1 8  7  27 o 9.2610  2.7690 2.202000       5.538000  
1 1 1 8  7  28 o 10.740  2.9800 -1.446000      5.959000  
1 1 1 8  7  29 o 10.970  2.9380 4.342000       5.875000  
1 1 1 8  7  30 o 8.4080  2.6260 -3.208000      5.253000  
1 1 1 8  8  0  f 39.410  2.7660 -0.000000      0.000000  
1 1 1 8  8  1  o 54.150  1.1210 -1.537000      2.242000  
1 1 1 8  8  2  o 117.400 0.9955 2.014000       1.991000  
1 1 1 8  8  3  o 84.710  0.8966 3.832000       1.793000  
1 1 1 8  8  4  o 47.760  1.1670 -2.206000      2.334000  
1 1 1 8  8  5  o 60.080  0.6419 1.279000       1.284000  
1 1 1 8  8  6  o 29.360  0.8673 2.556000       1.735000  
1 1 1 8  8  7  f 95.800  0.7327 1.597000       1.465000  
1 1 1 8  8  8  o 57.290  0.6304 1.778000       1.261000  
1 1 1 8  8  9  o 62.680  0.6504 -1.067000      1.301000  
1 1 1 8  8  10 o 28.410  0.9821 1.572000       1.964000  
1 1 1 8  8  11 o 48.570  0.7354 1.532000       1.471000  
1 1 1 8  8  12 o 80.860  0.7272 0.2623000      1.454000  
1 1 1 8  8  13 o 53.120  0.7669 -1.584000      1.534000  
1 1 1 8  8  14 o 62.180  0.7414 1.047000       1.483000  
1 1 1 8  8  15 o 20.600  1.8020 -1.281000      3.605000  
1 1 1 8  8  16 o 44.300  0.9018 -0.7274000     1.804000  
1 1 1 8  8  17 o 40.190  0.9906 -1.695000      1.981000  
1 1 1 8  8  18 o 25.610  1.5420 1.223000       3.084000  
1 1 1 8  8  19 o 31.750  1.3060 -2.043000      2.612000  
1 1 1 8  8  20 o 33.580  1.3040 -0.7351000     2.608000  
1 1 1 8  8  21 o 42.010  1.0830 -0.5873000     2.167000  
1 1 1 8  8  22 o 31.750  1.4470 1.480000       2.893000  
1 1 1 8  8  23 o 21.300  2.4190 -10.82000      4.838000  
1 1 1 8  8  24 o 14.770  2.9490 2.218000       5.899000  
1 1 1 8  8  25 o 11.730  2.8490 -4.737000      5.699000  
1 1 1 8  8  26 o 14.620  2.7690 -6.298000      5.538000  
1 1 1 8  8  27 o 11.000  3.0060 -0.4271000     6.012000  
1 1 1 8  8  28 o 14.570  3.0730 -1.765000      6.147000  
1 1 1 8  8  29 o 8.8990  2.7540 -1.916000      5.508000  
1 1 1 8  9  0  o 51.610  2.2410 -0.000000      0.000000  
1 1 1 8  9  1  o 35.730  2.0800 3.752000       4.159000  
1 1 1 8  9  2  o 77.740  0.8379 -1.619000      1.676000  
1 1 1 8  9  3  o 94.740  0.8828 4.707000       1.766000  
1 1 1 8  9  4  o 63.820  0.8233 -3.730000      1.647000  
1 1 1 8  9  5  f 56.850  0.6467 3.003000       1.293000  
1 1 1 8  9  6  o 30.980  0.6812 1.125000       1.362000  
1 1 1 8  9  7  o 42.150  0.6209 -0.6194000     1.242000  
1 1 1 8  9  8  o 16.720  1.3840 0.9232000      2.768000  
1 1 1 8  9  9  o 44.900  0.6742 1.239000       1.348000  
1 1 1 8  9  10 o 17.940  1.5230 -0.7576000     3.046000  
1 1 1 8  9  11 o 30.250  0.9931 2.291000       1.986000  
1 1 1 8  9  12 o 87.500  0.7460 0.2615000      1.492000  
1 1 1 8  9  13 o 44.000  0.8572 0.4258000      1.714000  
1 1 1 8  9  14 o 31.510  1.1350 -2.586000      2.270000  
1 1 1 8  9  15 o 22.840  1.5660 -1.297000      3.131000  
1 1 1 8  9  16 o 55.680  0.7968 2.259000       1.594000  
1 1 1 8  9  17 o 22.070  1.8140 1.349000       3.628000  
1 1 1 8  9  18 o 38.970  1.0540 1.558000       2.108000  
1 1 1 8  9  19 f 10.060  2.7380 3.321000       5.477000  
1 1 1 8  9  20 o 9.7040  2.7580 2.265000       5.516000  
1 1 1 8  9  21 o 42.740  1.0670 4.253000       2.133000  
1 1 1 8  9  22 o 31.050  1.4510 -0.5573000     2.903000  
1 1 1 8  9  23 o 11.440  2.9630 -0.9184000E-01 5.927000  
1 1 1 8  9  24 o 9.5350  2.7600 -2.461000      5.521000  
1 1 1 8  9  25 f 10.160  2.8800 -0.4588000     5.760000  
1 1 1 8  9  26 o 11.460  2.8960 6.997000       5.792000  
1 1 1 8  9  27 o 15.080  2.9210 1.848000       5.841000  
1 1 1 8  9  28 o 11.080  2.9590 3.476000       5.917000  
1 1 1 8  10 0  o 69.030  1.9490 -0.000000      0.000000  
1 1 1 8  10 1  o 60.180  1.4290 4.313000       2.859000  
1 1 1 8  10 2  o 57.100  2.1560 ?              ?         
1 1 1 8  10 3  o 48.450  1.3060 -4.503000      2.613000  
1 1 1 8  10 4  o 81.350  0.8530 0.7839000E-01  1.706000  
1 1 1 8  10 5  o 33.450  0.9726 -2.173000      1.945000  
1 1 1 8  10 6  o 28.580  0.7463 -0.5010000     1.493000  
1 1 1 8  10 7  o 45.250  0.6367 0.7785000      1.273000  
1 1 1 8  10 8  o 31.940  0.8256 0.8693000      1.651000  
1 1 1 8  10 9  o 30.410  0.8631 0.2017000E-01  1.726000  
1 1 1 8  10 10 o 23.530  1.1500 0.6460000      2.299000  
1 1 1 8  10 11 o 34.020  0.9299 -3.164000      1.860000  
1 1 1 8  10 12 o 32.690  0.9788 3.276000       1.958000  
1 1 1 8  10 13 o 27.350  1.1540 2.377000       2.309000  
1 1 1 8  10 14 o 16.770  2.1250 -2.687000      4.251000  
1 1 1 8  10 15 o 27.760  1.3630 -2.976000      2.727000  
1 1 1 8  10 16 o 26.580  1.4460 -0.7581000     2.892000  
1 1 1 8  10 17 o 18.190  2.1390 -0.9097000     4.278000  
1 1 1 8  10 18 f 42.560  1.0260 -2.220000      2.053000  
1 1 1 8  10 19 o 12.490  2.7600 5.660000       5.520000  
1 1 1 8  10 20 o 15.130  2.6280 -3.790000      5.257000  
1 1 1 8  10 21 f 10.210  2.7290 -2.914000      5.458000  
1 1 1 8  10 22 o 16.210  2.6650 -6.101000      5.330000  
1 1 1 8  10 23 o 14.290  2.8810 -0.7030000     5.763000  
1 1 1 8  10 24 o 14.230  2.9600 -1.004000      5.920000  
1 1 1 8  10 25 o 17.170  2.8660 -2.139000      5.732000  
1 1 1 8  10 26 f 7.5870  2.4730 -2.663000      4.945000  
1 1 1 8  10 27 f 12.240  2.8540 -6.597000      5.708000  
1 1 1 8  11 0  o 29.020  4.0460 -0.000000      0.000000  
1 1 1 8  11 1  o 47.250  1.8210 1.725000       3.642000  
1 1 1 8  11 2  o 45.630  1.3610 -6.382000      2.722000  
1 1 1 8  11 3  o 54.930  1.2560 -1.795000      2.512000  
1 1 1 8  11 4  f 75.740  1.0870 0.4384000      2.174000  
1 1 1 8  11 5  o 79.090  0.6824 -2.511000      1.365000  
1 1 1 8  11 6  o 27.730  0.7743 2.275000       1.549000  
1 1 1 8  11 7  o 33.750  0.9253 5.343000       1.851000  
1 1 1 8  11 8  o 52.030  0.6749 1.235000       1.350000  
1 1 1 8  11 9  o 78.920  0.7056 -1.064000      1.411000  
1 1 1 8  11 10 o 41.490  0.7701 -1.174000      1.540000  
1 1 1 8  11 11 o 19.520  1.6030 4.108000       3.207000  
1 1 1 8  11 12 o 39.760  0.8996 0.6101000      1.799000  
1 1 1 8  11 13 o 50.760  0.7923 -2.040000      1.585000  
1 1 1 8  11 14 o 38.050  0.9781 0.2560000      1.956000  
1 1 1 8  11 15 o 25.120  1.5300 0.9977000      3.059000  
1 1 1 8  11 16 o 19.080  2.1340 0.3227000      4.269000  
1 1 1 8  11 17 o 32.500  1.2470 1.702000       2.494000  
1 1 1 8  11 18 o 18.780  2.3720 -3.518000      4.744000  
1 1 1 8  11 19 o 21.370  1.9530 1.460000       3.906000  
1 1 1 8  11 20 o 13.030  2.9210 0.3875000      5.841000  
1 1 1 8  11 21 o 8.6730  2.5670 -3.406000      5.134000  
1 1 1 8  11 22 f 18.930  2.5900 -4.398000      5.181000  
1 1 1 8  11 23 o 13.640  3.0420 -0.2748000     6.084000  
1 1 1 8  11 24 o 14.130  3.0930 1.327000       6.186000  
1 1 1 8  11 25 o 16.330  2.8090 -6.629000      5.617000  
1 1 1 8  11 26 o 11.780  2.9300 -4.898000      5.859000  
1 1 1 8  12 0  o 32.370  3.7530 -0.000000      0.000000  
1 1 1 8  12 1  o 48.690  1.3010 -3.464000      2.601000  
1 1 1 8  12 2  o 63.750  1.2280 0.5890000      2.456000  
1 1 1 8  12 3  o 41.400  1.5790 0.9849000      3.158000  
1 1 1 8  12 4  o 61.900  0.7185 6.278000       1.437000  
1 1 1 8  12 5  o 43.690  0.6368 0.1632000      1.274000  
1 1 1 8  12 6  o 46.070  0.6381 0.1938000      1.276000  
1 1 1 8  12 7  o 61.060  0.6594 -0.8780000     1.319000  
1 1 1 8  12 8  o 41.550  0.7549 -0.8528000     1.510000  
1 1 1 8  12 9  o 45.940  0.7235 -0.9247000     1.447000  
1 1 1 8  12 10 o 39.060  0.8124 -0.1472000     1.625000  
1 1 1 8  12 11 o 28.640  1.1020 4.143000       2.203000  
1 1 1 8  12 12 o 26.950  1.2370 -1.919000      2.474000  
1 1 1 8  12 13 o 13.330  2.3040 -6.483000      4.607000  
1 1 1 8  12 14 f 27.120  1.3220 0.5200000      2.644000  
1 1 1 8  12 15 o 6.8790  2.2500 0.3106000      4.500000  
1 1 1 8  12 16 o 10.330  2.6900 1.527000       5.381000  
1 1 1 8  12 17 o 36.210  1.1070 0.6912000      2.213000  
1 1 1 8  12 18 o 27.380  1.4710 1.190000       2.942000  
1 1 1 8  12 19 o 26.630  1.5860 -5.340000      3.173000  
1 1 1 8  12 20 o 18.050  2.4980 -2.862000      4.996000  
1 1 1 8  12 21 o 27.820  1.6040 -1.858000      3.208000  
1 1 1 8  12 22 o 23.840  1.9550 -1.397000      3.910000  
1 1 1 8  12 23 o 9.8800  2.8280 -0.6592000     5.655000  
1 1 1 8  12 24 o 8.6530  2.5520 -4.534000      5.104000  
1 1 1 8  12 25 o 7.1880  2.5120 -0.1147000     5.023000  
1 1 1 8  13 0  o 45.520  0.7656 -0.000000      0.000000  
1 1 1 8  13 1  o 53.200  0.5803 0.1319000      1.161000  
1 1 1 8  13 2  o 90.850  0.7347 -2.723000      1.469000  
1 1 1 8  13 3  o 55.590  0.6374 -3.436000      1.275000  
1 1 1 8  13 4  o 47.260  0.6587 1.274000       1.317000  
1 1 1 8  13 5  o 53.680  0.6811 -0.3709000     1.362000  
1 1 1 8  13 6  o 15.650  1.6840 0.3489000      3.368000  
1 1 1 8  13 7  o 63.200  0.7278 1.453000       1.456000  
1 1 1 8  13 8  o 40.110  0.7622 1.356000       1.524000  
1 1 1 8  13 9  o 39.550  0.8032 0.4227000      1.606000  
1 1 1 8  13 10 o 38.370  0.8634 -2.915000      1.727000  
1 1 1 8  13 11 o 35.120  0.9762 -3.816000      1.952000  
1 1 1 8  13 12 o 23.180  1.4270 2.538000       2.855000  
1 1 1 8  13 13 o 58.050  0.7815 -2.847000      1.563000  
1 1 1 8  13 14 o 35.610  1.0580 1.815000       2.116000  
1 1 1 8  13 15 o 40.550  0.9946 -0.2989000     1.989000  
1 1 1 8  13 16 o 19.770  2.0280 1.668000       4.055000  
1 1 1 8  13 17 o 42.870  1.0160 -2.938000      2.031000  
1 1 1 8  13 18 o 11.100  2.7960 -0.6290000     5.593000  
1 1 1 8  13 19 o 16.880  2.5040 11.11000       5.008000  
1 1 1 8  13 20 o 10.220  2.7690 4.902000       5.538000  
1 1 1 8  13 21 o 12.220  2.6450 -5.998000      5.289000  
1 1 1 8  13 22 o 10.160  2.8470 0.2375000E-01  5.695000  
1 1 1 8  13 23 o 8.8870  2.7120 0.1698000      5.425000  
1 1 1 8  14 0  o 54.570  0.8859 -0.000000      0.000000  
1 1 1 8  14 1  o 36.110  0.6825 1.449000       1.365000  
1 1 1 8  14 2  o 46.370  0.6335 0.6334000      1.267000  
1 1 1 8  14 3  o 47.210  0.7185 -1.451000      1.437000  
1 1 1 8  14 4  o 46.860  0.7252 -0.6769000     1.450000  
1 1 1 8  14 5  o 22.640  1.1830 0.2920000      2.366000  
1 1 1 8  14 6  o 45.460  0.7503 0.8818000E-01  1.501000  
1 1 1 8  14 7  o 22.980  1.2940 1.122000       2.589000  
1 1 1 8  14 8  o 20.820  1.4890 -2.463000      2.978000  
1 1 1 8  14 9  o 22.140  1.3300 1.286000       2.660000  
1 1 1 8  14 10 o 19.950  1.6500 -6.216000      3.300000  
1 1 1 8  14 11 o 28.330  1.2050 -1.981000      2.409000  
1 1 1 8  14 12 f 15.410  2.2620 1.487000       4.523000  
1 1 1 8  14 13 o 39.620  0.9796 -0.9688000     1.959000  
1 1 1 8  14 14 o 24.210  1.5070 0.1606000      3.014000  
1 1 1 8  14 15 o 9.8010  2.6390 -0.3992000E-01 5.278000  
1 1 1 8  14 16 o 20.980  1.8320 0.1826000      3.664000  
1 1 1 8  14 17 o 26.120  1.5130 -1.959000      3.027000  
1 1 1 8  14 18 o 9.9210  2.7480 3.413000       5.497000  
1 1 1 8  14 19 o 32.180  1.2770 2.923000       2.555000  
1 1 1 8  14 20 o 8.9680  2.4970 -3.684000      4.994000  
1 1 1 8  14 21 o 12.930  2.8510 4.125000       5.702000  
1 1 1 8  15 0  o 7.2610  3.7540 -0.000000      0.000000  
1 1 1 8  15 1  o 17.220  1.5160 -0.8175000     3.032000  
1 1 1 8  15 2  o 38.580  0.7644 -3.047000      1.529000  
1 1 1 8  15 3  o 23.510  1.3710 0.7438000      2.741000  
1 1 1 8  15 4  o 25.880  1.1870 0.5133000      2.374000  
1 1 1 8  15 5  o 62.170  0.7666 -2.714000      1.533000  
1 1 1 8  15 6  o 29.560  1.3050 ?              ?         
1 1 1 8  15 7  o 35.800  0.9796 -1.195000      1.959000  
1 1 1 8  15 8  o 39.890  0.9600 -3.235000      1.920000  
1 1 1 8  15 9  o 17.620  2.0770 -2.396000      4.153000  
1 1 1 8  15 10 o 12.160  2.4690 5.951000       4.939000  
1 1 1 8  15 11 o 8.6590  2.4940 1.387000       4.988000  
1 1 1 8  15 12 o 18.410  1.9680 2.603000       3.935000  
1 1 1 8  15 13 o 10.860  2.6400 2.840000       5.280000  
1 1 1 8  15 14 o 23.290  1.5390 3.494000       3.078000  
1 1 1 8  15 15 o 27.380  1.5160 4.519000       3.032000  
1 1 1 8  15 16 o 7.2990  2.3810 1.171000       4.763000  
1 1 1 8  15 17 o 11.110  2.9050 4.508000       5.811000  
1 1 1 8  15 18 o 8.3200  2.6440 3.384000       5.287000  
1 1 1 8  15 19 o 9.5350  2.7630 -0.5116000     5.525000  
1 1 1 8  16 0  o 30.330  1.3620 -0.000000      0.000000  
1 1 1 8  16 1  o 18.780  1.5540 2.085000       3.107000  
1 1 1 8  16 2  f 13.270  2.2910 5.688000       4.582000  
1 1 1 8  16 3  o 21.420  1.7150 2.767000       3.430000  
1 1 1 8  16 4  o 10.330  2.5870 -2.442000      5.173000  
1 1 1 8  16 5  o 9.5890  2.3800 3.352000       4.761000  
1 1 1 8  16 6  o 19.400  1.7890 -3.307000      3.577000  
1 1 1 8  16 7  o 18.520  2.0050 7.224000       4.011000  
1 1 1 8  16 8  o 8.4690  2.3160 3.886000       4.633000  
1 1 1 8  16 9  o 20.320  2.1170 -9.771000      4.234000  
1 1 1 8  16 10 o 9.9070  2.5960 -3.711000      5.191000  
1 1 1 8  16 11 o 10.790  2.3960 5.650000       4.792000  
1 1 1 8  16 12 o 14.300  2.6040 4.176000       5.207000  
1 1 1 8  16 13 o 15.120  2.4420 1.338000       4.884000  
1 1 1 8  16 14 o 6.8620  2.2500 1.294000       4.501000  
1 1 1 8  16 15 o 9.4490  2.6850 1.672000       5.370000  
1 1 1 8  16 16 o 10.640  2.7700 4.389000       5.540000  
1 1 1 8  17 0  o 11.630  3.7780 -0.000000      0.000000  
1 1 1 8  17 1  o 30.090  0.9813 0.9621000      1.963000  
1 1 1 8  17 2  o 10.420  2.5630 -2.722000      5.125000  
1 1 1 8  17 3  o 24.920  1.4490 4.084000       2.898000  
1 1 1 8  17 4  o 21.160  1.6020 -1.968000      3.204000  
1 1 1 8  17 5  o 22.720  1.8120 9.886000       3.624000  
1 1 1 8  17 6  o 8.3150  2.4240 -2.528000      4.848000  
1 1 1 8  17 7  o 9.3240  2.4510 -4.603000      4.903000  
1 1 1 8  17 8  o 12.920  2.4070 0.4737000      4.815000  
1 1 1 8  17 9  o 14.500  2.2910 -3.020000      4.583000  
1 1 1 8  17 10 o 10.880  2.4100 3.430000       4.821000  
1 1 1 8  17 11 f 9.5360  2.5290 -2.860000      5.058000  
1 1 1 8  17 12 o 20.750  1.5830 -3.313000      3.165000  
1 1 1 8  17 13 o 16.870  2.2290 4.225000       4.458000  
1 1 1 8  18 0  o 24.110  1.6120 -0.000000      0.000000  
1 1 1 8  18 1  o 31.630  1.2110 2.880000       2.422000  
1 1 1 8  18 2  o 19.680  1.6930 4.861000       3.387000  
1 1 1 8  18 3  o 10.480  2.3700 0.6527000E-02  4.740000  
1 1 1 8  18 4  o 13.270  2.1790 1.797000       4.357000  
1 1 1 8  18 5  o 6.3870  2.0460 -0.7440000     4.093000  
1 1 1 8  18 6  o 7.9420  2.1960 2.260000       4.392000  
1 1 1 8  18 7  o 7.1730  2.2020 -1.872000      4.404000  
1 1 1 8  18 8  o 17.910  1.9690 -9.241000      3.939000  
1 1 1 9  0  1  o 59.560  1.0220 -0.000000      0.000000  
1 1 1 9  0  2  o 40.050  1.2510 -0.000000      0.000000  
1 1 1 9  0  3  o 58.100  1.0210 -0.000000      0.000000  
1 1 1 9  0  4  o 99.340  1.0780 -0.000000      0.000000  
1 1 1 9  0  5  o 64.860  1.0460 -0.000000      0.000000  
1 1 1 9  0  6  o 25.630  2.0120 -0.000000      0.000000  
1 1 1 9  0  7  o 42.220  1.3680 -0.000000      0.000000  
1 1 1 9  0  8  o 54.610  1.1680 -0.000000      0.000000  
1 1 1 9  0  9  o 48.690  1.2240 -0.000000      0.000000  
1 1 1 9  0  10 o 34.160  1.6740 -0.000000      0.000000  
1 1 1 9  0  11 o 60.090  1.1260 -0.000000      0.000000  
1 1 1 9  0  12 o 31.020  1.9040 -0.000000      0.000000  
1 1 1 9  0  13 o 49.430  1.3510 -0.000000      0.000000  
1 1 1 9  0  14 o 53.490  1.3300 -0.000000      0.000000  
1 1 1 9  0  15 o 42.140  1.5540 -0.000000      0.000000  
1 1 1 9  0  16 f 47.820  1.3330 -0.000000      0.000000  
1 1 1 9  0  17 o 7.9260  4.5680 -0.000000      0.000000  
1 1 1 9  0  18 o 77.080  1.1380 -0.000000      0.000000  
1 1 1 9  0  19 o 7.6090  4.5050 -0.000000      0.000000  
1 1 1 9  0  20 f 5.0530  3.5050 -0.000000      0.000000  
1 1 1 9  0  21 f 42.700  1.5240 -0.000000      0.000000  
1 1 1 9  0  22 o 20.620  3.2700 -0.000000      0.000000  
1 1 1 9  0  23 o 6.0490  4.0100 -0.000000      0.000000  
1 1 1 9  0  24 o 6.8070  4.2950 -0.000000      0.000000  
1 1 1 9  0  25 o 9.4590  4.9900 -0.000000      0.000000  
1 1 1 9  0  26 o 22.700  3.1630 -0.000000      0.000000  
1 1 1 9  0  27 o 17.150  4.6640 -0.000000      0.000000  
1 1 1 9  0  28 o 15.870  4.8030 -0.000000      0.000000  
1 1 1 9  0  29 o 6.3440  4.1960 -0.000000      0.000000  
1 1 1 9  0  30 o 6.3540  4.2620 -0.000000      0.000000  
1 1 1 9  1  0  o 85.150  1.0100 -0.000000      0.000000  
1 1 1 9  1  1  o 44.100  0.8673 2.149000       1.735000  
1 1 1 9  1  2  o 64.640  0.7050 1.468000       1.410000  
1 1 1 9  1  3  o 45.210  0.8418 0.3307000      1.684000  
1 1 1 9  1  4  o 100.700 0.7667 0.8788000E-01  1.533000  
1 1 1 9  1  5  o 97.640  0.7673 0.8520000      1.535000  
1 1 1 9  1  6  o 79.170  0.7945 2.287000       1.589000  
1 1 1 9  1  7  f 71.300  0.7456 -1.310000      1.491000  
1 1 1 9  1  8  o 39.980  1.0220 2.434000       2.045000  
1 1 1 9  1  9  o 44.140  1.0580 2.564000       2.117000  
1 1 1 9  1  10 o 78.750  0.7557 -1.744000      1.511000  
1 1 1 9  1  11 o 21.350  1.9050 -0.8273000     3.809000  
1 1 1 9  1  12 o 15.630  2.5070 -1.820000      5.015000  
1 1 1 9  1  13 o 58.610  0.8546 1.067000       1.709000  
1 1 1 9  1  14 o 33.790  1.2680 -2.824000      2.536000  
1 1 1 9  1  15 o 11.590  2.8850 1.658000       5.771000  
1 1 1 9  1  16 o 11.170  2.7030 -5.461000      5.406000  
1 1 1 9  1  17 o 25.080  1.8520 -4.174000      3.705000  
1 1 1 9  1  18 o 50.460  0.9455 0.5084000      1.891000  
1 1 1 9  1  19 o 61.020  0.8584 -1.593000      1.717000  
1 1 1 9  1  20 o 18.800  2.5490 -13.31000      5.099000  
1 1 1 9  1  21 o 33.480  1.3300 -2.202000      2.660000  
1 1 1 9  1  22 o 38.770  1.2070 0.2039000      2.414000  
1 1 1 9  1  23 o 14.130  2.9420 0.5775000      5.883000  
1 1 1 9  1  24 o 15.460  2.8920 0.4380000      5.784000  
1 1 1 9  1  25 o 26.650  1.8060 -2.664000      3.612000  
1 1 1 9  1  26 o 13.220  2.9760 3.194000       5.953000  
1 1 1 9  1  27 o 25.370  1.8740 -4.763000      3.747000  
1 1 1 9  1  28 o 12.890  2.9850 -2.717000      5.970000  
1 1 1 9  1  29 o 13.610  3.0620 -1.104000      6.125000  
1 1 1 9  1  30 o 9.3920  2.8890 1.307000       5.779000  
1 1 1 9  2  0  o 22.030  2.2500 -0.000000      0.000000  
1 1 1 9  2  1  o 71.430  0.7040 1.629000       1.408000  
1 1 1 9  2  2  o 32.150  1.0910 0.6258000      2.182000  
1 1 1 9  2  3  o 103.100 0.7741 1.360000       1.548000  
1 1 1 9  2  4  o 34.880  1.0480 -1.112000      2.097000  
1 1 1 9  2  5  o 39.290  0.9789 0.6354000      1.958000  
1 1 1 9  2  6  o 58.890  0.7798 -0.1682000     1.560000  
1 1 1 9  2  7  o 91.740  0.7898 -1.010000      1.580000  
1 1 1 9  2  8  o 30.580  1.8830 8.421000       3.766000  
1 1 1 9  2  9  o 46.140  0.9986 2.457000       1.997000  
1 1 1 9  2  10 o 46.640  0.9356 2.688000       1.871000  
1 1 1 9  2  11 f 30.450  1.3110 0.9125000      2.623000  
1 1 1 9  2  12 o 17.440  2.3120 -1.937000      4.624000  
1 1 1 9  2  13 o 57.360  0.8544 3.399000       1.709000  
1 1 1 9  2  14 o 42.590  0.9982 3.191000       1.996000  
1 1 1 9  2  15 o 23.510  1.7980 0.2343000      3.597000  
1 1 1 9  2  16 o 86.430  0.8226 1.931000       1.645000  
1 1 1 9  2  17 o 67.780  0.8454 -1.376000      1.691000  
1 1 1 9  2  18 o 17.950  2.5160 -5.255000      5.033000  
1 1 1 9  2  19 o 58.130  0.8732 1.031000       1.746000  
1 1 1 9  2  20 o 25.460  1.7450 -4.010000      3.491000  
1 1 1 9  2  21 o 31.750  1.3810 0.6054000      2.763000  
1 1 1 9  2  22 o 33.660  1.3030 -2.389000      2.606000  
1 1 1 9  2  23 o 16.840  2.6500 6.023000       5.300000  
1 1 1 9  2  24 o 13.110  2.9370 -2.662000      5.873000  
1 1 1 9  2  25 o 8.2750  2.5580 -3.589000      5.116000  
1 1 1 9  2  26 o 10.470  2.8600 -3.464000      5.720000  
1 1 1 9  2  27 o 29.800  1.6250 5.832000       3.249000  
1 1 1 9  2  28 o 22.840  2.2050 -5.250000      4.411000  
1 1 1 9  2  29 o 9.5810  2.7140 -5.538000      5.429000  
1 1 1 9  2  30 o 8.8190  2.7530 -2.315000      5.507000  
1 1 1 9  3  0  o 117.700 1.1870 -0.000000      0.000000  
1 1 1 9  3  1  o 103.100 0.7743 1.001000       1.549000  
1 1 1 9  3  2  o 59.470  0.7378 -0.9374000     1.476000  
1 1 1 9  3  3  o 182.600 1.1920 -0.7436000     2.384000  
1 1 1 9  3  4  o 87.620  0.7390 -2.333000      1.478000  
1 1 1 9  3  5  o 24.920  1.4750 0.7031000      2.951000  
1 1 1 9  3  6  o 43.770  0.9364 0.1128000      1.873000  
1 1 1 9  3  7  o 37.760  1.0770 -4.358000      2.154000  
1 1 1 9  3  8  o 107.200 0.8570 0.8626000      1.714000  
1 1 1 9  3  9  o 87.330  0.8023 0.7144000      1.605000  
1 1 1 9  3  10 o 66.250  0.8162 0.6652000      1.632000  
1 1 1 9  3  11 o 27.740  1.4130 4.391000       2.825000  
1 1 1 9  3  12 o 67.450  0.7921 -1.402000      1.584000  
1 1 1 9  3  13 o 23.460  1.6810 4.474000       3.361000  
1 1 1 9  3  14 o 29.750  1.3900 -1.517000      2.779000  
1 1 1 9  3  15 o 34.470  1.2420 -1.061000      2.485000  
1 1 1 9  3  16 o 26.080  1.5870 3.050000       3.174000  
1 1 1 9  3  17 o 44.210  1.0540 -1.377000      2.108000  
1 1 1 9  3  18 o 44.190  1.0810 0.3420000      2.162000  
1 1 1 9  3  19 o 17.890  2.5310 0.5330000      5.062000  
1 1 1 9  3  20 o 44.780  0.9958 -0.8742000     1.992000  
1 1 1 9  3  21 o 25.060  1.7360 -2.050000      3.472000  
1 1 1 9  3  22 o 8.1270  2.5570 1.768000       5.115000  
1 1 1 9  3  23 o 36.150  1.2690 -2.836000      2.539000  
1 1 1 9  3  24 o 45.460  1.0550 2.199000       2.109000  
1 1 1 9  3  25 o 8.0140  2.5540 2.256000       5.108000  
1 1 1 9  3  26 o 12.080  2.5820 10.74000       5.164000  
1 1 1 9  3  27 o 22.570  2.4020 -10.56000      4.804000  
1 1 1 9  3  28 o 10.660  3.0200 0.4336000      6.041000  
1 1 1 9  3  29 o 22.430  2.2220 -0.1949000     4.444000  
1 1 1 9  3  30 o 13.770  3.0690 5.590000       6.138000  
1 1 1 9  4  0  o 79.420  1.0190 -0.000000      0.000000  
1 1 1 9  4  1  o 64.870  0.7248 -0.8987000     1.450000  
1 1 1 9  4  2  o 38.250  0.9607 -0.2065000     1.921000  
1 1 1 9  4  3  o 58.110  0.7476 -0.3580000     1.495000  
1 1 1 9  4  4  o 60.350  0.7627 -0.8178000     1.525000  
1 1 1 9  4  5  o 131.400 0.9510 -1.733000      1.902000  
1 1 1 9  4  6  o 46.020  0.9190 0.6918000      1.838000  
1 1 1 9  4  7  o 71.150  0.7735 0.2014000E-02  1.547000  
1 1 1 9  4  8  o 57.340  0.8350 1.398000       1.670000  
1 1 1 9  4  9  o 71.700  0.7997 1.390000       1.599000  
1 1 1 9  4  10 o 64.610  0.8159 2.412000       1.632000  
1 1 1 9  4  11 o 10.410  2.6420 2.922000       5.283000  
1 1 1 9  4  12 o 96.360  0.8032 -0.9883000     1.606000  
1 1 1 9  4  13 o 63.530  0.8001 2.323000       1.600000  
1 1 1 9  4  14 o 73.900  0.7843 -1.998000      1.569000  
1 1 1 9  4  15 o 35.150  1.1670 1.932000       2.334000  
1 1 1 9  4  16 o 34.270  1.2370 -2.414000      2.473000  
1 1 1 9  4  17 o 75.490  0.8178 -1.197000      1.636000  
1 1 1 9  4  18 o 57.040  0.9086 -1.151000      1.817000  
1 1 1 9  4  19 o 48.620  0.9965 -1.119000      1.993000  
1 1 1 9  4  20 o 36.100  1.2780 -0.9167000     2.556000  
1 1 1 9  4  21 o 13.370  2.8670 -2.965000      5.734000  
1 1 1 9  4  22 f 14.490  2.8480 -2.784000      5.696000  
1 1 1 9  4  23 o 23.310  1.9740 1.625000       3.947000  
1 1 1 9  4  24 o 10.160  2.8190 -3.938000      5.638000  
1 1 1 9  4  25 o 10.930  2.9210 -2.422000      5.842000  
1 1 1 9  4  26 o 39.630  1.2840 0.7178000      2.568000  
1 1 1 9  4  27 o 9.1590  2.7210 4.947000       5.441000  
1 1 1 9  4  28 o 20.720  2.4120 -3.843000      4.824000  
1 1 1 9  4  29 o 14.440  3.0700 1.418000       6.140000  
1 1 1 9  4  30 o 10.010  3.3980 -1.149000      6.796000  
1 1 1 9  5  0  o 79.880  1.0100 -0.000000      0.000000  
1 1 1 9  5  1  o 156.400 1.0470 -0.6676000     2.093000  
1 1 1 9  5  2  o 118.200 0.8511 -2.662000      1.702000  
1 1 1 9  5  3  f 113.600 0.8273 -0.5087000     1.655000  
1 1 1 9  5  4  o 99.380  0.8068 0.8077000      1.614000  
1 1 1 9  5  5  o 58.350  0.7510 -1.627000      1.502000  
1 1 1 9  5  6  o 72.000  0.7533 -0.6273000E-01 1.507000  
1 1 1 9  5  7  o 23.610  1.4370 -3.593000      2.874000  
1 1 1 9  5  8  o 56.550  0.8077 0.5385000      1.615000  
1 1 1 9  5  9  o 35.480  1.0660 -2.202000      2.132000  
1 1 1 9  5  10 o 75.490  0.8010 1.118000       1.602000  
1 1 1 9  5  11 o 62.100  0.7756 0.7125000      1.551000  
1 1 1 9  5  12 o 58.630  0.8149 0.5204000      1.630000  
1 1 1 9  5  13 o 16.070  2.2780 9.373000       4.557000  
1 1 1 9  5  14 o 43.160  0.9655 2.399000       1.931000  
1 1 1 9  5  15 o 60.380  0.8174 -1.203000      1.635000  
1 1 1 9  5  16 o 26.040  1.5350 -1.764000      3.069000  
1 1 1 9  5  17 o 34.660  1.2300 -0.4308000     2.460000  
1 1 1 9  5  18 o 35.940  1.2530 -0.2091000     2.507000  
1 1 1 9  5  19 o 28.400  1.5100 3.718000       3.020000  
1 1 1 9  5  20 o 25.150  1.7660 3.161000       3.532000  
1 1 1 9  5  21 o 15.840  2.7670 -4.144000      5.535000  
1 1 1 9  5  22 o 47.060  1.0580 0.5707000      2.117000  
1 1 1 9  5  23 o 12.790  2.7140 6.711000       5.429000  
1 1 1 9  5  24 o 15.250  2.8850 -2.877000      5.770000  
1 1 1 9  5  25 o 8.5650  2.6640 1.703000       5.328000  
1 1 1 9  5  26 o 17.940  2.7000 -2.301000      5.400000  
1 1 1 9  5  27 o 14.060  3.0000 3.560000       5.999000  
1 1 1 9  5  28 o 8.4200  2.6550 -0.7248000     5.309000  
1 1 1 9  5  29 o 22.580  2.2020 0.5412000      4.403000  
1 1 1 9  6  0  o 74.170  1.0010 -0.000000      0.000000  
1 1 1 9  6  1  o 37.710  0.8764 -2.314000      1.753000  
1 1 1 9  6  2  o 99.620  0.7734 1.093000       1.547000  
1 1 1 9  6  3  o 87.910  0.7579 -1.546000      1.516000  
1 1 1 9  6  4  o 42.930  0.9056 -3.038000      1.811000  
1 1 1 9  6  5  o 81.830  0.7335 -3.049000      1.467000  
1 1 1 9  6  6  o 18.160  1.6680 -3.934000      3.337000  
1 1 1 9  6  7  o 20.380  1.6040 0.4375000      3.208000  
1 1 1 9  6  8  o 37.660  0.9952 0.8066000      1.990000  
1 1 1 9  6  9  o 19.370  2.0360 2.765000       4.072000  
1 1 1 9  6  10 o 30.230  1.2760 -3.566000      2.552000  
1 1 1 9  6  11 o 29.950  1.2020 2.797000       2.403000  
1 1 1 9  6  12 o 81.810  0.7663 1.003000       1.533000  
1 1 1 9  6  13 o 67.780  0.7669 -0.1470000     1.534000  
1 1 1 9  6  14 o 34.080  1.1230 1.002000       2.245000  
1 1 1 9  6  15 o 41.440  0.9769 2.722000       1.954000  
1 1 1 9  6  16 o 11.170  2.5400 -6.275000      5.081000  
1 1 1 9  6  17 o 25.570  1.6250 -4.104000      3.251000  
1 1 1 9  6  18 o 43.460  1.0270 1.053000       2.053000  
1 1 1 9  6  19 o 53.790  0.9062 -1.430000      1.812000  
1 1 1 9  6  20 o 48.640  0.9840 1.718000       1.968000  
1 1 1 9  6  21 o 42.510  1.0970 2.108000       2.194000  
1 1 1 9  6  22 o 20.740  2.1570 1.229000       4.314000  
1 1 1 9  6  23 o 26.360  1.7560 1.489000       3.512000  
1 1 1 9  6  24 o 15.770  2.7700 -4.273000      5.539000  
1 1 1 9  6  25 o 11.310  3.0010 -1.096000      6.002000  
1 1 1 9  6  26 o 8.1440  2.6110 1.824000       5.222000  
1 1 1 9  6  27 f 13.380  2.9120 -5.887000      5.823000  
1 1 1 9  6  28 o 8.3110  2.6420 2.359000       5.283000  
1 1 1 9  6  29 o 10.710  3.7020 0.9261000      7.404000  
1 1 1 9  7  0  o 66.420  0.9159 -0.000000      0.000000  
1 1 1 9  7  1  f 57.040  0.6351 -0.7990000     1.270000  
1 1 1 9  7  2  o 65.400  0.7288 -0.7150000E-01 1.458000  
1 1 1 9  7  3  o 80.090  0.7255 1.106000       1.451000  
1 1 1 9  7  4  o 43.200  0.7366 -3.678000      1.473000  
1 1 1 9  7  5  o 89.830  0.7615 0.8547000      1.523000  
1 1 1 9  7  6  o 72.290  0.7259 1.284000       1.452000  
1 1 1 9  7  7  o 19.580  1.4870 -1.097000      2.974000  
1 1 1 9  7  8  o 75.740  0.7486 -2.024000      1.497000  
1 1 1 9  7  9  o 39.910  0.9501 -0.1120000     1.900000  
1 1 1 9  7  10 o 63.810  0.7213 -0.6486000     1.443000  
1 1 1 9  7  11 o 49.110  0.7925 1.030000       1.585000  
1 1 1 9  7  12 o 59.010  0.7760 -0.5981000     1.552000  
1 1 1 9  7  13 o 72.570  0.7528 0.4190000      1.506000  
1 1 1 9  7  14 o 36.810  1.0480 2.287000       2.097000  
1 1 1 9  7  15 o 19.450  1.9160 1.365000       3.832000  
1 1 1 9  7  16 o 50.800  0.8601 -0.8909000     1.720000  
1 1 1 9  7  17 o 29.460  1.3040 -0.3128000     2.608000  
1 1 1 9  7  18 o 36.300  1.1760 -5.528000      2.353000  
1 1 1 9  7  19 o 18.600  2.3490 -6.936000      4.698000  
1 1 1 9  7  20 o 21.020  2.0710 2.460000       4.142000  
1 1 1 9  7  21 o 32.140  1.3560 -3.884000      2.711000  
1 1 1 9  7  22 o 21.330  2.2090 -4.447000      4.419000  
1 1 1 9  7  23 o 9.5640  2.8000 -0.9787000E-01 5.601000  
1 1 1 9  7  24 o 12.640  2.9170 -4.421000      5.833000  
1 1 1 9  7  25 o 18.570  2.6330 -11.05000      5.267000  
1 1 1 9  7  26 o 8.6510  2.6890 -0.6679000E-01 5.378000  
1 1 1 9  7  27 o 11.710  3.0540 -0.4323000     6.109000  
1 1 1 9  7  28 f 14.600  2.6690 -9.718000      5.337000  
1 1 1 9  8  0  o 71.490  1.1240 -0.000000      0.000000  
1 1 1 9  8  1  o 61.910  0.6201 2.071000       1.240000  
1 1 1 9  8  2  f 65.990  0.7035 3.437000       1.407000  
1 1 1 9  8  3  f 43.750  0.6372 0.5701000      1.274000  
1 1 1 9  8  4  o 34.520  0.7379 -0.1831000     1.476000  
1 1 1 9  8  5  o 66.060  0.6865 0.6089000      1.373000  
1 1 1 9  8  6  o 54.230  0.6999 -0.9587000     1.400000  
1 1 1 9  8  7  o 34.280  0.8753 0.3991000      1.751000  
1 1 1 9  8  8  o 47.420  0.7679 0.6419000      1.536000  
1 1 1 9  8  9  o 13.090  2.0570 -1.214000      4.115000  
1 1 1 9  8  10 o 12.420  2.2610 3.008000       4.522000  
1 1 1 9  8  11 o 64.500  0.7144 -0.2627000     1.429000  
1 1 1 9  8  12 o 78.770  0.7470 -0.1718000     1.494000  
1 1 1 9  8  13 o 53.020  0.8031 0.7501000      1.606000  
1 1 1 9  8  14 o 20.700  1.9050 7.888000       3.810000  
1 1 1 9  8  15 o 24.300  1.5360 0.7005000      3.072000  
1 1 1 9  8  16 o 20.190  1.9010 1.025000       3.802000  
1 1 1 9  8  17 o 61.750  0.8217 2.250000       1.643000  
1 1 1 9  8  18 o 51.340  0.8835 -1.537000      1.767000  
1 1 1 9  8  19 f 15.150  2.5510 7.437000       5.103000  
1 1 1 9  8  20 o 7.9030  2.4980 4.189000       4.995000  
1 1 1 9  8  21 o 25.490  1.7210 0.5553000      3.442000  
1 1 1 9  8  22 o 18.910  2.4170 -1.490000      4.833000  
1 1 1 9  8  23 o 15.020  2.8210 7.412000       5.641000  
1 1 1 9  8  24 o 7.8810  2.5630 0.7574000      5.125000  
1 1 1 9  8  25 o 24.240  2.0970 -1.463000      4.194000  
1 1 1 9  8  26 o 16.580  2.9880 2.658000       5.976000  
1 1 1 9  8  27 o 14.100  3.2080 1.671000       6.416000  
1 1 1 9  9  0  o 62.880  2.0150 -0.000000      0.000000  
1 1 1 9  9  1  o 24.090  4.6720 ?              ?         
1 1 1 9  9  2  o 56.290  0.7633 3.898000       1.527000  
1 1 1 9  9  3  o 57.450  0.7748 2.830000       1.550000  
1 1 1 9  9  4  o 57.150  0.8767 3.965000       1.753000  
1 1 1 9  9  5  o 45.970  0.6670 0.2281000      1.334000  
1 1 1 9  9  6  o 27.550  0.8998 1.173000       1.800000  
1 1 1 9  9  7  o 55.610  0.7113 -0.5851000     1.423000  
1 1 1 9  9  8  o 43.090  0.6962 -2.792000      1.392000  
1 1 1 9  9  9  o 14.070  1.9050 -3.770000      3.811000  
1 1 1 9  9  10 f 48.460  0.7118 2.504000       1.424000  
1 1 1 9  9  11 o 14.810  2.0870 1.205000       4.174000  
1 1 1 9  9  12 o 34.170  0.9800 -0.6906000     1.960000  
1 1 1 9  9  13 o 29.750  1.1730 2.309000       2.346000  
1 1 1 9  9  14 o 60.030  0.7869 0.2900000      1.574000  
1 1 1 9  9  15 o 59.940  0.7736 -0.3591000     1.547000  
1 1 1 9  9  16 o 19.220  2.0190 0.5787000E-01  4.038000  
1 1 1 9  9  17 o 14.880  2.4540 -5.805000      4.908000  
1 1 1 9  9  18 o 24.580  1.6520 -0.2198000     3.305000  
1 1 1 9  9  19 o 35.490  1.2480 -2.214000      2.496000  
1 1 1 9  9  20 o 23.300  1.9180 0.6270000      3.836000  
1 1 1 9  9  21 o 15.130  2.5140 -10.11000      5.028000  
1 1 1 9  9  22 o 10.770  2.9070 1.158000       5.815000  
1 1 1 9  9  23 o 29.660  1.6630 -3.836000      3.326000  
1 1 1 9  9  24 o 14.910  2.9140 -4.377000      5.827000  
1 1 1 9  9  25 o 14.740  2.9800 5.891000       5.961000  
1 1 1 9  9  26 o 13.360  3.1370 2.447000       6.274000  
1 1 1 9  10 0  o 26.770  4.5230 -0.000000      0.000000  
1 1 1 9  10 1  o 49.000  1.7410 -0.9130000E-01 3.482000  
1 1 1 9  10 2  o 37.260  2.2760 -2.624000      4.552000  
1 1 1 9  10 3  o 37.750  0.8360 0.4823000      1.672000  
1 1 1 9  10 4  o 19.620  1.5200 3.184000       3.041000  
1 1 1 9  10 5  o 59.060  0.8438 -0.1201000     1.688000  
1 1 1 9  10 6  o 53.990  0.6738 1.728000       1.348000  
1 1 1 9  10 7  o 34.580  0.8738 -1.293000      1.748000  
1 1 1 9  10 8  o 28.420  0.9096 0.5232000E-01  1.819000  
1 1 1 9  10 9  o 47.640  0.6942 -1.714000      1.388000  
1 1 1 9  10 10 o 9.5100  2.2400 5.072000       4.481000  
1 1 1 9  10 11 o 46.620  0.7609 0.9883000      1.522000  
1 1 1 9  10 12 o 25.190  1.2760 3.888000       2.552000  
1 1 1 9  10 13 o 44.350  0.8470 -2.907000      1.694000  
1 1 1 9  10 14 o 17.680  2.0260 -4.527000      4.052000  
1 1 1 9  10 15 o 11.240  2.7100 1.726000       5.421000  
1 1 1 9  10 16 o 14.440  2.4940 4.744000       4.988000  
1 1 1 9  10 17 o 25.550  1.5330 -0.2812000     3.065000  
1 1 1 9  10 18 f 16.810  2.4520 3.279000       4.905000  
1 1 1 9  10 19 o 46.320  1.0090 -0.1358000     2.017000  
1 1 1 9  10 20 o 9.9820  2.6690 -3.353000      5.337000  
1 1 1 9  10 21 o 33.260  1.3010 -0.9715000E-01 2.602000  
1 1 1 9  10 22 o 33.990  1.4340 -2.101000      2.867000  
1 1 1 9  10 23 o 9.5890  2.7710 -2.531000      5.542000  
1 1 1 9  10 24 o 12.840  2.9890 -3.971000      5.979000  
1 1 1 9  10 25 o 10.640  3.0510 3.444000       6.102000  
1 1 1 9  11 0  o 23.200  5.8850 -0.000000      0.000000  
1 1 1 9  11 1  o 60.020  1.5850 2.268000       3.170000  
1 1 1 9  11 2  o 37.540  3.4800 ?              ?         
1 1 1 9  11 3  o 27.540  2.1970 -2.772000      4.393000  
1 1 1 9  11 4  o 49.470  0.8177 0.9732000      1.635000  
1 1 1 9  11 5  o 36.260  1.0040 -2.452000      2.007000  
1 1 1 9  11 6  o 60.180  0.8504 2.180000       1.701000  
1 1 1 9  11 7  f 27.070  0.8589 3.700000       1.718000  
1 1 1 9  11 8  o 57.010  0.6484 0.3834000      1.297000  
1 1 1 9  11 9  f 65.290  0.6811 -0.2970000     1.362000  
1 1 1 9  11 10 o 68.770  0.7027 -0.4736000     1.405000  
1 1 1 9  11 11 o 16.890  1.7590 4.187000       3.518000  
1 1 1 9  11 12 o 41.270  0.8230 0.4456000      1.646000  
1 1 1 9  11 13 o 49.410  0.7746 0.3327000      1.549000  
1 1 1 9  11 14 o 14.370  2.3630 0.9769000      4.727000  
1 1 1 9  11 15 o 19.380  1.8960 -2.487000      3.793000  
1 1 1 9  11 16 o 26.230  1.4470 1.645000       2.893000  
1 1 1 9  11 17 o 23.210  1.9320 -8.758000      3.864000  
1 1 1 9  11 18 o 25.670  1.6890 -1.649000      3.377000  
1 1 1 9  11 19 o 19.370  2.3160 -5.558000      4.632000  
1 1 1 9  11 20 o 26.610  1.6400 -4.046000      3.279000  
1 1 1 9  11 21 o 19.240  2.4160 -4.153000      4.833000  
1 1 1 9  11 22 o 10.240  2.7880 -2.543000      5.577000  
1 1 1 9  11 23 o 10.950  2.8420 7.146000       5.683000  
1 1 1 9  11 24 f 11.990  3.4000 5.402000       6.800000  
1 1 1 9  12 0  o 19.350  6.6200 -0.000000      0.000000  
1 1 1 9  12 1  o 13.450  3.8350 4.004000       7.669000  
1 1 1 9  12 2  o 13.640  3.9620 0.7554000E-01  7.924000  
1 1 1 9  12 3  o 17.710  3.0820 0.4923000      6.164000  
1 1 1 9  12 4  o 32.510  1.9980 -2.282000      3.995000  
1 1 1 9  12 5  o 16.690  3.1720 -1.980000      6.343000  
1 1 1 9  12 6  o 27.440  1.0290 -2.155000      2.058000  
1 1 1 9  12 7  o 57.550  0.6331 -0.1793000     1.266000  
1 1 1 9  12 8  o 22.170  1.1460 -2.652000      2.292000  
1 1 1 9  12 9  o 9.3490  2.2470 1.516000       4.493000  
1 1 1 9  12 10 o 17.500  1.6340 -1.741000      3.268000  
1 1 1 9  12 11 o 26.240  1.1510 2.879000       2.302000  
1 1 1 9  12 12 o 38.500  0.8798 -2.696000      1.760000  
1 1 1 9  12 13 o 21.260  1.5680 0.4919000      3.136000  
1 1 1 9  12 14 f 28.820  1.2400 -0.6688000     2.479000  
1 1 1 9  12 15 o 19.460  1.9530 -3.839000      3.907000  
1 1 1 9  12 16 o 8.1040  2.4870 1.342000       4.975000  
1 1 1 9  12 17 o 22.370  1.7550 1.867000       3.510000  
1 1 1 9  12 18 o 11.690  2.6670 6.623000       5.333000  
1 1 1 9  12 19 o 24.680  1.6880 4.637000       3.375000  
1 1 1 9  12 20 o 16.100  2.6240 7.057000       5.247000  
1 1 1 9  12 21 o 14.840  2.8560 3.845000       5.712000  
1 1 1 9  12 22 o 24.610  1.9620 -2.373000      3.923000  
1 1 1 9  13 0  o 36.660  3.1800 -0.000000      0.000000  
1 1 1 9  13 1  o 36.420  2.4070 1.276000       4.814000  
1 1 1 9  13 2  o 14.940  4.0870 -1.141000      8.174000  
1 1 1 9  13 3  o 12.430  3.1170 -8.156000      6.233000  
1 1 1 9  13 4  o 14.730  3.2080 -7.478000      6.415000  
1 1 1 9  13 5  o 37.970  1.8900 4.116000       3.780000  
1 1 1 9  13 6  o 15.910  1.2490 -1.822000      2.498000  
1 1 1 9  13 7  o 25.330  1.2810 -4.074000      2.561000  
1 1 1 9  13 8  o 32.960  0.8384 1.802000       1.677000  
1 1 1 9  13 9  o 25.810  1.0930 -1.047000      2.186000  
1 1 1 9  13 10 o 15.320  1.9570 0.8045000      3.914000  
1 1 1 9  13 11 o 7.5440  2.2210 -1.148000      4.443000  
1 1 1 9  13 12 o 19.370  1.6570 2.472000       3.315000  
1 1 1 9  13 13 o 10.530  2.5930 1.616000       5.187000  
1 1 1 9  13 14 o 25.530  1.5080 -7.111000      3.015000  
1 1 1 9  13 15 o 17.490  2.2540 7.558000       4.507000  
1 1 1 9  13 16 o 17.650  2.2290 -4.649000      4.458000  
1 1 1 9  13 17 o 48.080  0.9768 -3.235000      1.954000  
1 1 1 9  13 18 o 33.730  1.2460 2.716000       2.491000  
1 1 1 9  13 19 o 19.480  2.2710 0.4549000      4.543000  
1 1 1 9  13 20 o 10.450  2.8510 0.9913000      5.702000  
1 1 1 9  14 0  o 50.690  2.6690 -0.000000      0.000000  
1 1 1 9  14 1  f 24.240  2.5680 1.828000       5.136000  
1 1 1 9  14 2  o 28.030  2.2990 -1.004000      4.598000  
1 1 1 9  14 3  o 20.510  3.0500 4.384000       6.100000  
1 1 1 9  14 4  o 14.370  2.9940 0.6718000      5.989000  
1 1 1 9  14 5  o 11.510  1.5400 1.511000       3.079000  
1 1 1 9  14 6  f 36.460  0.6959 -0.8782000     1.392000  
1 1 1 9  14 7  f 33.230  0.7813 0.8642000      1.563000  
1 1 1 9  14 8  o 19.270  1.4530 -3.320000      2.906000  
1 1 1 9  14 9  o 23.260  1.1500 0.2518000E-01  2.299000  
1 1 1 9  14 10 o 16.380  1.7550 0.4666000      3.511000  
1 1 1 9  14 11 f 26.980  1.1510 -0.5902000E-01 2.302000  
1 1 1 9  14 12 o 21.040  1.5110 -0.9210000E-01 3.022000  
1 1 1 9  14 13 o 33.280  1.0630 -2.029000      2.126000  
1 1 1 9  14 14 o 11.000  2.5090 -3.562000      5.018000  
1 1 1 9  14 15 o 10.230  2.6360 1.333000       5.271000  
1 1 1 9  14 16 o 25.360  1.5100 -0.5435000     3.020000  
1 1 1 9  14 17 o 16.190  2.5440 3.027000       5.088000  
1 1 1 9  14 18 o 14.760  2.6170 1.989000       5.234000  
1 1 1 9  15 0  o 12.820  1.4390 -0.000000      0.000000  
1 1 1 9  15 1  o 30.030  0.5607 -0.6969000     1.121000  
1 1 1 9  15 2  o 42.060  0.5525 -0.7168000     1.105000  
1 1 1 9  15 3  o 13.780  1.2340 5.333000       2.468000  
1 1 1 9  15 4  f 23.170  0.9601 2.435000       1.920000  
1 1 1 9  15 5  o 23.430  0.9281 -3.249000      1.856000  
1 1 1 9  15 6  o 28.590  1.0190 -4.296000      2.038000  
1 1 1 9  15 7  o 12.270  1.9690 -4.707000      3.937000  
1 1 1 9  15 8  o 28.690  0.9928 -0.7503000     1.986000  
1 1 1 9  15 9  f 22.030  1.3170 -1.276000      2.634000  
1 1 1 9  15 10 f 28.810  1.2600 -8.159000      2.521000  
1 1 1 9  15 11 o 22.120  1.7120 -5.771000      3.425000  
1 1 1 9  15 12 o 26.560  1.1890 -1.192000      2.377000  
1 1 1 9  15 13 o 8.4600  2.4340 0.1288000      4.868000  
1 1 1 9  15 14 o 12.840  2.5110 -2.485000      5.021000  
1 1 1 9  15 15 o 16.690  2.1690 -0.8074000     4.339000  
1 1 1 9  15 16 o 9.6130  3.1680 -3.043000      6.335000  
1 1 1 9  16 0  o 13.330  2.0730 -0.000000      0.000000  
1 1 1 9  16 1  o 22.660  0.8006 2.119000       1.601000  
1 1 1 9  16 2  o 12.130  1.5740 0.9245000E-01  3.148000  
1 1 1 9  16 3  o 39.010  0.6643 1.036000       1.329000  
1 1 1 9  16 4  o 41.690  0.7699 -3.927000      1.540000  
1 1 1 9  16 5  o 18.400  1.2780 1.698000       2.556000  
1 1 1 9  16 6  o 8.0190  2.1660 1.233000       4.332000  
1 1 1 9  16 7  o 21.280  1.3120 0.2273000      2.623000  
1 1 1 9  16 8  o 13.810  2.1120 -1.051000      4.224000  
1 1 1 9  16 9  o 8.8270  2.2810 2.630000       4.561000  
1 1 1 9  16 10 o 7.8970  2.1730 3.470000       4.346000  
1 1 1 9  16 11 o 12.430  2.4790 1.849000       4.958000  
1 1 1 9  16 12 o 11.910  2.3510 -2.690000      4.702000  
1 1 1 9  17 0  o 32.900  1.3340 -0.000000      0.000000  
1 1 1 9  17 1  o 17.370  1.1500 1.785000       2.299000  
1 1 1 9  17 2  o 16.150  1.2570 -3.099000      2.514000  
1 1 1 9  17 3  o 7.6950  1.7920 6.435000       3.584000  
1 1 1 9  17 4  o 8.2100  2.0990 0.8545000      4.199000  
1 1 1 9  17 5  o 16.520  1.6430 0.4140000      3.286000  
1 1 1 9  17 6  o 19.240  1.4940 -6.377000      2.987000  
1 1 1 9  17 7  o 21.210  1.4340 -6.250000      2.869000  
1 1 1 9  17 8  o 8.3290  3.6820 ?              ?         
1 1 1 10 0  0  o 15.960  5.5220 -0.000000      0.000000  
1 1 1 10 0  1  o 64.100  1.1070 -0.000000      0.000000  
1 1 1 10 0  2  o 8.0980  4.5130 -0.000000      0.000000  
1 1 1 10 0  3  o 36.880  1.6160 -0.000000      0.000000  
1 1 1 10 0  4  o 75.190  1.0790 -0.000000      0.000000  
1 1 1 10 0  5  o 49.090  1.3490 -0.000000      0.000000  
1 1 1 10 0  6  o 19.800  3.3070 -0.000000      0.000000  
1 1 1 10 0  7  o 52.140  1.3080 -0.000000      0.000000  
1 1 1 10 0  8  o 16.910  4.3340 -0.000000      0.000000  
1 1 1 10 0  9  o 48.950  1.3110 -0.000000      0.000000  
1 1 1 10 0  10 o 25.300  2.4970 -0.000000      0.000000  
1 1 1 10 0  11 o 70.920  1.1740 -0.000000      0.000000  
1 1 1 10 0  12 o 61.020  1.2760 -0.000000      0.000000  
1 1 1 10 0  13 o 45.070  1.5770 -0.000000      0.000000  
1 1 1 10 0  14 o 37.840  1.8910 -0.000000      0.000000  
1 1 1 10 0  15 o 52.090  1.4880 -0.000000      0.000000  
1 1 1 10 0  16 o 38.860  1.8310 -0.000000      0.000000  
1 1 1 10 0  17 o 15.270  4.7170 -0.000000      0.000000  
1 1 1 10 0  18 o 10.410  5.3720 -0.000000      0.000000  
1 1 1 10 0  19 f 23.890  2.8300 -0.000000      0.000000  
1 1 1 10 0  20 o 15.890  4.6230 -0.000000      0.000000  
1 1 1 10 0  21 o 15.330  4.5890 -0.000000      0.000000  
1 1 1 10 0  22 o 22.000  3.2100 -0.000000      0.000000  
1 1 1 10 0  23 o 5.9750  4.0060 -0.000000      0.000000  
1 1 1 10 0  24 o 12.560  5.2700 -0.000000      0.000000  
1 1 1 10 0  25 f 19.890  3.5760 -0.000000      0.000000  
1 1 1 10 0  26 o 8.3880  4.8330 -0.000000      0.000000  
1 1 1 10 0  27 o 4.3100  3.1060 -0.000000      0.000000  
1 1 1 10 0  28 o 9.1780  5.1600 -0.000000      0.000000  
1 1 1 10 1  0  o 104.100 1.1390 -0.000000      0.000000  
1 1 1 10 1  1  f 33.840  1.2240 -3.427000      2.448000  
1 1 1 10 1  2  o 76.370  0.7582 0.1015000      1.516000  
1 1 1 10 1  3  o 47.790  0.9187 -0.6994000     1.837000  
1 1 1 10 1  4  o 95.530  0.7873 -1.385000      1.575000  
1 1 1 10 1  5  o 98.240  0.8032 1.337000       1.606000  
1 1 1 10 1  6  o 77.980  0.7935 -0.4624000     1.587000  
1 1 1 10 1  7  o 104.900 0.8315 0.7240000E-02  1.663000  
1 1 1 10 1  8  o 55.540  0.9575 -1.902000      1.915000  
1 1 1 10 1  9  o 76.950  0.8401 0.1569000      1.680000  
1 1 1 10 1  10 o 43.470  1.0450 2.818000       2.090000  
1 1 1 10 1  11 o 60.140  0.8865 0.2570000      1.773000  
1 1 1 10 1  12 o 36.630  1.2990 4.451000       2.598000  
1 1 1 10 1  13 o 47.870  1.0230 0.3116000      2.045000  
1 1 1 10 1  14 o 34.530  1.4070 2.857000       2.815000  
1 1 1 10 1  15 o 42.590  1.1750 -0.8946000     2.351000  
1 1 1 10 1  16 o 15.490  3.0030 -0.5505000     6.006000  
1 1 1 10 1  17 o 37.490  1.3890 -1.653000      2.778000  
1 1 1 10 1  18 o 34.210  1.3460 1.734000       2.693000  
1 1 1 10 1  19 o 13.730  2.9770 -1.818000      5.953000  
1 1 1 10 1  20 o 22.390  2.0180 -5.274000      4.035000  
1 1 1 10 1  21 o 11.240  2.8670 5.197000       5.734000  
1 1 1 10 1  22 o 8.4720  2.6460 -0.3261000     5.292000  
1 1 1 10 1  23 o 17.300  2.6560 2.105000       5.312000  
1 1 1 10 1  24 o 25.230  1.9340 3.810000       3.867000  
1 1 1 10 1  25 o 18.020  2.7840 4.448000       5.568000  
1 1 1 10 1  26 o 20.810  2.4040 -3.018000      4.809000  
1 1 1 10 1  27 o 15.950  2.8990 4.069000       5.799000  
1 1 1 10 1  28 o 8.8260  2.7020 3.910000       5.403000  
1 1 1 10 2  0  o 45.050  1.3510 -0.000000      0.000000  
1 1 1 10 2  1  o 87.770  0.7653 -0.7773000E-01 1.531000  
1 1 1 10 2  2  o 24.000  1.7020 1.680000       3.403000  
1 1 1 10 2  3  o 47.570  0.9338 -0.3979000E-01 1.868000  
1 1 1 10 2  4  o 52.560  0.8747 2.565000       1.749000  
1 1 1 10 2  5  o 31.820  1.3520 2.515000       2.703000  
1 1 1 10 2  6  o 69.940  0.8041 -2.872000      1.608000  
1 1 1 10 2  7  o 72.010  0.8889 0.3438000      1.778000  
1 1 1 10 2  8  o 33.810  1.3650 -2.171000      2.729000  
1 1 1 10 2  9  o 49.890  1.0380 1.079000       2.077000  
1 1 1 10 2  10 o 22.450  2.1630 -1.389000      4.326000  
1 1 1 10 2  11 o 44.250  1.0750 0.1428000E-01  2.150000  
1 1 1 10 2  12 o 15.840  2.7710 2.374000       5.541000  
1 1 1 10 2  13 o 11.330  2.9450 -2.445000      5.890000  
1 1 1 10 2  14 o 22.910  2.0310 3.199000       4.062000  
1 1 1 10 2  15 o 44.280  1.1410 0.1893000E-01  2.283000  
1 1 1 10 2  16 o 9.6000  2.8530 1.637000       5.705000  
1 1 1 10 2  17 o 42.360  1.1240 0.3205000      2.248000  
1 1 1 10 2  18 o 43.470  1.1400 3.752000       2.280000  
1 1 1 10 2  19 o 6.7820  2.3070 1.028000       4.613000  
1 1 1 10 2  20 o 37.040  1.3090 -0.1805000E-01 2.617000  
1 1 1 10 2  21 f 29.720  1.5550 0.8071000E-01  3.110000  
1 1 1 10 2  22 o 10.730  2.9070 3.349000       5.813000  
1 1 1 10 2  23 o 13.390  3.0030 0.2502000      6.007000  
1 1 1 10 2  24 o 16.820  2.7520 -1.139000      5.504000  
1 1 1 10 2  25 o 12.210  3.0310 0.6127000      6.062000  
1 1 1 10 2  26 o 12.380  3.0670 -1.236000      6.134000  
1 1 1 10 2  27 o 8.4150  2.6790 0.6344000      5.358000  
1 1 1 10 2  28 o 10.250  2.9570 0.8738000      5.914000  
1 1 1 10 3  0  o 81.740  1.0850 -0.000000      0.000000  
1 1 1 10 3  1  o 38.750  1.0650 -1.461000      2.129000  
1 1 1 10 3  2  o 76.660  0.7712 -1.717000      1.542000  
1 1 1 10 3  3  o 83.000  0.7704 -0.6091000     1.541000  
1 1 1 10 3  4  f 62.860  0.8111 -1.639000      1.622000  
1 1 1 10 3  5  o 39.840  1.1070 -0.7250000     2.214000  
1 1 1 10 3  6  o 71.070  0.8781 -2.208000      1.756000  
1 1 1 10 3  7  o 27.000  1.6750 1.943000       3.350000  
1 1 1 10 3  8  o 26.580  1.6740 -2.677000      3.347000  
1 1 1 10 3  9  o 71.350  0.8711 -1.813000      1.742000  
1 1 1 10 3  10 o 44.630  1.1190 -0.7724000     2.237000  
1 1 1 10 3  11 o 56.250  0.9746 2.119000       1.949000  
1 1 1 10 3  12 o 38.740  1.1730 0.3242000      2.345000  
1 1 1 10 3  13 o 55.100  0.9337 -1.494000      1.867000  
1 1 1 10 3  14 o 46.120  1.0860 3.441000       2.172000  
1 1 1 10 3  15 o 45.450  1.1240 -2.145000      2.248000  
1 1 1 10 3  16 o 65.320  0.8772 0.2481000      1.754000  
1 1 1 10 3  17 o 9.1750  2.7590 0.1067000      5.518000  
1 1 1 10 3  18 o 30.620  1.5120 0.8524000      3.023000  
1 1 1 10 3  19 o 38.050  1.2340 1.062000       2.468000  
1 1 1 10 3  20 o 10.240  2.8480 -2.880000      5.695000  
1 1 1 10 3  21 o 13.920  2.9160 4.911000       5.832000  
1 1 1 10 3  22 o 20.510  2.4800 -7.392000      4.960000  
1 1 1 10 3  23 o 9.9460  2.8000 3.366000       5.601000  
1 1 1 10 3  24 o 21.400  2.1840 -3.276000      4.368000  
1 1 1 10 3  25 o 18.330  2.6100 -0.3929000     5.221000  
1 1 1 10 3  26 o 14.430  3.0420 -3.316000      6.083000  
1 1 1 10 3  27 o 8.0090  2.6130 0.5336000      5.227000  
1 1 1 10 3  28 o 11.240  3.4670 -4.808000      6.934000  
1 1 1 10 4  0  o 64.050  1.1070 -0.000000      0.000000  
1 1 1 10 4  1  f 93.880  0.8351 1.484000       1.670000  
1 1 1 10 4  2  o 69.640  0.7608 -0.5959000E-02 1.522000  
1 1 1 10 4  3  o 88.510  0.7649 -2.495000      1.530000  
1 1 1 10 4  4  o 33.120  1.2610 -3.678000      2.522000  
1 1 1 10 4  5  o 23.390  1.9740 0.1364000      3.948000  
1 1 1 10 4  6  o 29.040  1.4660 -6.116000      2.932000  
1 1 1 10 4  7  o 51.130  0.9572 1.681000       1.914000  
1 1 1 10 4  8  o 39.730  1.1740 -0.6646000E-01 2.347000  
1 1 1 10 4  9  o 33.880  1.3170 1.743000       2.633000  
1 1 1 10 4  10 o 18.520  2.4580 -10.43000      4.916000  
1 1 1 10 4  11 o 34.150  1.4530 5.672000       2.906000  
1 1 1 10 4  12 f 9.3270  2.7540 -3.471000      5.509000  
1 1 1 10 4  13 o 57.930  0.8777 1.255000       1.755000  
1 1 1 10 4  14 o 34.300  1.3340 -1.400000      2.668000  
1 1 1 10 4  15 o 30.850  1.3710 2.543000       2.742000  
1 1 1 10 4  16 o 24.770  1.7250 6.373000       3.449000  
1 1 1 10 4  17 o 11.360  2.8860 2.757000       5.773000  
1 1 1 10 4  18 o 14.650  2.7650 -4.858000      5.529000  
1 1 1 10 4  19 o 23.570  2.0320 -5.763000      4.064000  
1 1 1 10 4  20 o 8.2370  2.6020 1.595000       5.204000  
1 1 1 10 4  21 o 17.940  2.6760 0.5927000      5.351000  
1 1 1 10 4  22 o 13.070  2.8120 -6.468000      5.625000  
1 1 1 10 4  23 o 8.4360  2.6520 -0.2887000     5.303000  
1 1 1 10 4  24 o 11.120  2.8870 -2.694000      5.775000  
1 1 1 10 4  25 o 9.1940  2.7830 -1.681000      5.566000  
1 1 1 10 4  26 o 18.820  2.5790 -0.1051000     5.158000  
1 1 1 10 4  27 o 9.0630  2.7130 -3.764000      5.427000  
1 1 1 10 5  0  o 64.440  1.0770 -0.000000      0.000000  
1 1 1 10 5  1  o 88.380  0.7705 -0.5889000     1.541000  
1 1 1 10 5  2  o 52.550  0.8365 -1.807000      1.673000  
1 1 1 10 5  3  o 55.230  0.8185 -0.2181000     1.637000  
1 1 1 10 5  4  o 65.990  0.8588 -2.130000      1.718000  
1 1 1 10 5  5  o 110.100 0.8754 3.363000       1.751000  
1 1 1 10 5  6  o 32.720  1.2510 -3.494000      2.503000  
1 1 1 10 5  7  o 39.620  1.0700 1.217000       2.140000  
1 1 1 10 5  8  o 57.780  0.8570 0.8133000E-01  1.714000  
1 1 1 10 5  9  o 32.270  1.3170 -3.497000      2.635000  
1 1 1 10 5  10 o 12.250  2.7990 1.656000       5.597000  
1 1 1 10 5  11 o 7.4730  2.4390 -1.487000      4.878000  
1 1 1 10 5  12 o 16.870  2.6420 2.837000       5.283000  
1 1 1 10 5  13 o 47.110  0.9907 -1.313000      1.981000  
1 1 1 10 5  14 o 52.620  0.8720 -2.000000      1.744000  
1 1 1 10 5  15 o 49.230  0.9207 1.863000       1.841000  
1 1 1 10 5  16 o 36.910  1.1760 0.5600000      2.353000  
1 1 1 10 5  17 o 9.0840  2.6200 -3.400000      5.239000  
1 1 1 10 5  18 o 30.180  1.4720 0.5260000      2.944000  
1 1 1 10 5  19 o 16.250  3.0440 14.61000       6.088000  
1 1 1 10 5  20 o 23.370  1.9640 -3.841000      3.927000  
1 1 1 10 5  21 o 20.870  2.2630 -2.699000      4.525000  
1 1 1 10 5  22 o 10.840  2.8810 4.392000       5.763000  
1 1 1 10 5  23 o 13.950  2.9480 -3.877000      5.895000  
1 1 1 10 5  24 o 13.470  3.0440 1.094000       6.089000  
1 1 1 10 5  25 o 8.8620  2.7360 1.738000       5.473000  
1 1 1 10 5  26 o 15.320  2.9180 4.563000       5.835000  
1 1 1 10 5  27 o 9.8900  2.8250 -4.885000      5.650000  
1 1 1 10 6  0  o 87.470  1.0870 -0.000000      0.000000  
1 1 1 10 6  1  o 36.200  1.0400 -0.7283000     2.080000  
1 1 1 10 6  2  o 42.030  0.9243 -0.3011000     1.849000  
1 1 1 10 6  3  o 70.130  0.7714 -0.6629000     1.543000  
1 1 1 10 6  4  o 54.390  0.8152 0.1692000      1.630000  
1 1 1 10 6  5  o 54.490  0.9136 -0.5206000     1.827000  
1 1 1 10 6  6  o 68.980  0.7923 -1.413000      1.585000  
1 1 1 10 6  7  o 28.530  1.3340 0.7414000      2.668000  
1 1 1 10 6  8  o 38.890  1.0480 0.1020000      2.096000  
1 1 1 10 6  9  f 55.790  0.8636 0.2640000      1.727000  
1 1 1 10 6  10 o 32.680  1.2560 0.8297000E-01  2.512000  
1 1 1 10 6  11 o 53.270  0.9259 -1.693000      1.852000  
1 1 1 10 6  12 o 18.290  2.4210 0.8283000E-01  4.843000  
1 1 1 10 6  13 o 25.670  1.5320 1.074000       3.063000  
1 1 1 10 6  14 o 20.990  1.8710 0.6700000      3.742000  
1 1 1 10 6  15 o 47.230  0.9702 -1.273000      1.940000  
1 1 1 10 6  16 o 37.400  1.1440 -1.282000      2.288000  
1 1 1 10 6  17 o 48.600  0.9912 1.225000       1.982000  
1 1 1 10 6  18 o 26.960  1.6420 0.1060000E-01  3.284000  
1 1 1 10 6  19 o 11.640  2.8850 3.505000       5.770000  
1 1 1 10 6  20 o 27.980  1.6640 -3.469000      3.329000  
1 1 1 10 6  21 o 19.350  2.4060 4.981000       4.812000  
1 1 1 10 6  22 o 19.500  2.4730 5.923000       4.945000  
1 1 1 10 6  23 o 8.1050  2.6260 1.596000       5.252000  
1 1 1 10 6  24 f 11.790  3.0210 -2.569000      6.042000  
1 1 1 10 6  25 o 11.170  3.0110 3.555000       6.023000  
1 1 1 10 6  26 o 11.870  3.0880 -1.982000      6.176000  
1 1 1 10 7  0  f 50.570  1.0990 -0.000000      0.000000  
1 1 1 10 7  1  o 61.650  0.7187 -0.3447000     1.437000  
1 1 1 10 7  2  o 107.500 0.8522 2.833000       1.704000  
1 1 1 10 7  3  o 86.620  0.7716 1.043000       1.543000  
1 1 1 10 7  4  o 66.760  0.7427 0.5412000      1.485000  
1 1 1 10 7  5  o 20.810  1.4840 -1.480000      2.967000  
1 1 1 10 7  6  o 43.060  0.8605 0.4691000      1.721000  
1 1 1 10 7  7  o 103.400 0.8511 0.2452000      1.702000  
1 1 1 10 7  8  o 65.510  0.7834 -1.175000      1.567000  
1 1 1 10 7  9  o 33.730  1.1030 -1.538000      2.205000  
1 1 1 10 7  10 o 19.280  1.9600 -4.336000      3.921000  
1 1 1 10 7  11 o 38.880  1.0970 2.593000       2.195000  
1 1 1 10 7  12 o 15.760  2.3440 3.576000       4.687000  
1 1 1 10 7  13 o 47.420  0.9177 3.217000       1.835000  
1 1 1 10 7  14 o 15.070  2.5450 7.682000       5.089000  
1 1 1 10 7  15 o 27.060  1.4640 -0.7966000     2.928000  
1 1 1 10 7  16 f 17.890  2.2540 1.499000       4.507000  
1 1 1 10 7  17 o 28.020  1.4630 0.8941000      2.926000  
1 1 1 10 7  18 o 28.210  1.4400 -0.3273000     2.881000  
1 1 1 10 7  19 o 25.430  1.7600 -1.913000      3.521000  
1 1 1 10 7  20 o 21.440  2.1400 -1.144000      4.280000  
1 1 1 10 7  21 o 15.150  2.8680 -0.5642000     5.736000  
1 1 1 10 7  22 o 8.3360  2.6430 2.497000       5.285000  
1 1 1 10 7  23 o 12.220  3.0960 2.771000       6.191000  
1 1 1 10 7  24 o 9.8900  2.8690 -0.7603000     5.738000  
1 1 1 10 7  25 o 29.350  1.6930 -0.1090000     3.385000  
1 1 1 10 8  0  o 17.720  2.0130 -0.000000      0.000000  
1 1 1 10 8  1  o 64.410  0.6950 1.650000       1.390000  
1 1 1 10 8  2  o 60.450  0.6864 1.090000       1.373000  
1 1 1 10 8  3  o 38.570  0.7365 0.7237000      1.473000  
1 1 1 10 8  4  o 39.570  0.7467 1.318000       1.493000  
1 1 1 10 8  5  o 46.720  0.7277 1.613000       1.455000  
1 1 1 10 8  6  o 54.490  0.7370 0.2280000      1.474000  
1 1 1 10 8  7  o 42.140  0.8356 -2.558000      1.671000  
1 1 1 10 8  8  o 20.890  1.6080 0.6943000      3.216000  
1 1 1 10 8  9  o 26.640  1.3070 0.7532000      2.614000  
1 1 1 10 8  10 o 49.470  0.8516 0.1756000      1.703000  
1 1 1 10 8  11 o 29.940  1.0720 -1.609000      2.145000  
1 1 1 10 8  12 o 19.180  1.7680 2.627000       3.535000  
1 1 1 10 8  13 o 28.050  1.2690 -0.5198000     2.539000  
1 1 1 10 8  14 o 45.790  0.9140 0.4530000E-01  1.828000  
1 1 1 10 8  15 f 37.960  1.0110 2.253000       2.022000  
1 1 1 10 8  16 o 24.910  1.6520 -2.790000      3.304000  
1 1 1 10 8  17 o 22.730  1.7830 0.8962000      3.566000  
1 1 1 10 8  18 f 21.950  1.8870 -2.686000      3.775000  
1 1 1 10 8  19 o 7.5520  2.4400 -0.5638000     4.881000  
1 1 1 10 8  20 o 34.790  1.2470 4.614000       2.494000  
1 1 1 10 8  21 o 9.8660  2.7520 -3.280000      5.503000  
1 1 1 10 8  22 o 10.040  2.6850 -4.927000      5.370000  
1 1 1 10 8  23 o 9.8540  2.8520 -0.5848000     5.704000  
1 1 1 10 8  24 f 10.980  3.0530 1.726000       6.106000  
1 1 1 10 8  25 x ?       ?      ?              ?         
1 1 1 10 9  0  o 13.300  6.8980 -0.000000      0.000000  
1 1 1 10 9  1  o 31.450  0.8864 -0.7890000E-01 1.773000  
1 1 1 10 9  2  o 52.650  0.8339 0.5620000      1.668000  
1 1 1 10 9  3  o 43.950  0.9003 1.600000       1.801000  
1 1 1 10 9  4  o 24.430  0.8809 2.358000       1.762000  
1 1 1 10 9  5  o 7.6880  2.0500 -2.031000      4.100000  
1 1 1 10 9  6  o 34.900  0.7650 -1.884000      1.530000  
1 1 1 10 9  7  o 18.800  1.4230 -1.919000      2.846000  
1 1 1 10 9  8  o 9.4780  2.2390 3.169000       4.477000  
1 1 1 10 9  9  o 56.810  0.7650 0.3223000      1.530000  
1 1 1 10 9  10 o 27.650  1.0950 3.675000       2.189000  
1 1 1 10 9  11 o 38.160  0.8796 -1.164000      1.759000  
1 1 1 10 9  12 o 24.730  1.3570 -0.3501000     2.714000  
1 1 1 10 9  13 o 14.710  2.3100 5.214000       4.620000  
1 1 1 10 9  14 o 11.120  2.4710 6.275000       4.943000  
1 1 1 10 9  15 o 19.210  1.9920 -1.141000      3.984000  
1 1 1 10 9  16 o 9.6070  2.6510 -0.6614000     5.303000  
1 1 1 10 9  17 o 7.8390  2.4000 -2.327000      4.801000  
1 1 1 10 9  18 o 8.3520  2.5490 -0.7477000     5.098000  
1 1 1 10 9  19 o 9.5840  2.7010 4.732000       5.403000  
1 1 1 10 9  20 o 11.040  2.8750 3.417000       5.749000  
1 1 1 10 9  21 o 17.650  2.5300 0.5404000      5.061000  
1 1 1 10 9  22 o 21.250  2.1130 3.131000       4.226000  
1 1 1 10 9  23 f 16.540  2.8460 -0.5868000E-01 5.693000  
1 1 1 10 10 0  o 21.390  6.5110 -0.000000      0.000000  
1 1 1 10 10 1  o 20.270  4.0390 -0.2526000     8.078000  
1 1 1 10 10 2  o 22.990  3.7400 -4.188000      7.479000  
1 1 1 10 10 3  o 31.030  0.9352 1.444000       1.870000  
1 1 1 10 10 4  o 29.580  1.0990 3.160000       2.199000  
1 1 1 10 10 5  o 32.970  1.1440 -1.225000      2.289000  
1 1 1 10 10 6  o 41.770  0.6856 0.2309000      1.371000  
1 1 1 10 10 7  o 56.760  0.7033 0.3516000      1.407000  
1 1 1 10 10 8  o 58.230  0.7338 0.3794000E-01  1.468000  
1 1 1 10 10 9  o 31.010  1.0880 -1.202000      2.176000  
1 1 1 10 10 10 o 15.580  1.8560 0.8578000      3.712000  
1 1 1 10 10 11 o 17.330  1.7370 -0.9246000E-01 3.474000  
1 1 1 10 10 12 o 26.460  1.1860 -0.2765000E-01 2.371000  
1 1 1 10 10 13 o 22.030  1.5760 -5.215000      3.152000  
1 1 1 10 10 14 o 35.180  1.0400 0.9156000      2.079000  
1 1 1 10 10 15 o 19.630  1.9050 -0.7493000     3.809000  
1 1 1 10 10 16 f 28.410  1.3970 -0.5367000     2.795000  
1 1 1 10 10 17 o 30.900  1.3320 -2.345000      2.665000  
1 1 1 10 10 18 o 7.2140  2.3580 0.7382000E-01  4.715000  
1 1 1 10 10 19 o 14.660  2.7510 -2.462000      5.502000  
1 1 1 10 10 20 o 17.420  2.4460 5.039000       4.892000  
1 1 1 10 10 21 o 12.090  2.9040 5.547000       5.808000  
1 1 1 10 10 22 o 8.1840  2.6030 -0.3791000E-01 5.206000  
1 1 1 10 11 0  o 28.810  4.3470 -0.000000      0.000000  
1 1 1 10 11 1  o 16.850  4.0010 -6.498000      8.002000  
1 1 1 10 11 2  o 43.250  2.0600 -0.4654000E-02 4.120000  
1 1 1 10 11 3  o 28.440  3.0240 -3.640000      6.048000  
1 1 1 10 11 4  f 10.490  1.9210 10.37000       3.842000  
1 1 1 10 11 5  o 45.290  0.9092 -0.4985000     1.818000  
1 1 1 10 11 6  o 36.760  1.8750 -4.104000      3.749000  
1 1 1 10 11 7  o 13.160  1.9300 6.284000       3.860000  
1 1 1 10 11 8  o 27.550  1.0150 -3.133000      2.030000  
1 1 1 10 11 9  o 15.800  1.6660 4.549000       3.333000  
1 1 1 10 11 10 o 15.160  1.8630 -1.881000      3.727000  
1 1 1 10 11 11 o 17.140  1.7190 -1.224000      3.439000  
1 1 1 10 11 12 f 10.890  2.4250 -0.1791000     4.850000  
1 1 1 10 11 13 o 27.410  1.2590 -3.042000      2.519000  
1 1 1 10 11 14 o 28.220  1.2640 3.981000       2.529000  
1 1 1 10 11 15 o 7.4930  2.3380 2.658000       4.676000  
1 1 1 10 11 16 o 8.6410  2.4490 5.431000       4.899000  
1 1 1 10 11 17 o 13.560  2.6850 1.579000       5.371000  
1 1 1 10 11 18 o 14.740  2.5970 3.614000       5.194000  
1 1 1 10 11 19 o 22.000  2.0230 -0.1029000     4.046000  
1 1 1 10 11 20 o 20.720  2.2050 -2.332000      4.411000  
1 1 1 10 11 21 o 8.6670  2.8980 1.370000       5.796000  
1 1 1 10 12 0  o 43.960  3.1050 -0.000000      0.000000  
1 1 1 10 12 1  o 16.590  4.0590 3.145000       8.118000  
1 1 1 10 12 2  o 22.260  3.9410 0.4984000      7.881000  
1 1 1 10 12 3  o 14.690  4.0830 2.632000       8.165000  
1 1 1 10 12 4  o 11.510  2.9980 -1.335000      5.996000  
1 1 1 10 12 5  o 13.420  2.2820 -1.873000      4.565000  
1 1 1 10 12 6  o 48.400  0.8807 1.278000       1.761000  
1 1 1 10 12 7  o 35.050  1.0950 -1.827000      2.190000  
1 1 1 10 12 8  o 19.830  1.5370 -3.405000      3.074000  
1 1 1 10 12 9  o 6.9740  2.0100 -2.170000      4.020000  
1 1 1 10 12 10 o 25.400  1.1100 0.1159000      2.220000  
1 1 1 10 12 11 o 11.230  2.3960 -0.5979000     4.792000  
1 1 1 10 12 12 o 16.220  1.9340 2.572000       3.869000  
1 1 1 10 12 13 o 16.030  2.1100 -2.307000      4.221000  
1 1 1 10 12 14 o 19.140  1.8420 -2.816000      3.685000  
1 1 1 10 12 15 o 37.450  1.0490 -3.054000      2.098000  
1 1 1 10 12 16 o 31.750  1.1460 -2.458000      2.292000  
1 1 1 10 12 17 o 12.970  2.6400 1.265000       5.279000  
1 1 1 10 12 18 o 25.670  1.5070 3.599000       3.014000  
1 1 1 10 12 19 o 10.950  2.6150 -5.306000      5.229000  
1 1 1 10 13 0  o 37.430  3.2920 -0.000000      0.000000  
1 1 1 10 13 1  o 21.130  3.5670 10.13000       7.134000  
1 1 1 10 13 2  o 34.670  2.3820 -2.550000      4.765000  
1 1 1 10 13 3  o 28.770  3.1780 2.092000       6.356000  
1 1 1 10 13 4  o 16.190  2.7470 6.101000       5.494000  
1 1 1 10 13 5  o 13.150  2.9410 1.911000       5.881000  
1 1 1 10 13 6  o 9.3570  2.9540 -3.295000      5.907000  
1 1 1 10 13 7  o 22.290  1.5240 2.828000       3.048000  
1 1 1 10 13 8  o 27.210  0.8108 1.321000       1.622000  
1 1 1 10 13 9  o 27.720  0.9098 0.2412000      1.820000  
1 1 1 10 13 10 o 6.9100  2.1180 0.4230000      4.236000  
1 1 1 10 13 11 o 13.020  2.1730 -4.250000      4.347000  
1 1 1 10 13 12 o 31.940  0.9964 -1.475000      1.993000  
1 1 1 10 13 13 o 21.050  1.5190 -2.309000      3.039000  
1 1 1 10 13 14 o 32.830  1.1070 -1.465000      2.215000  
1 1 1 10 13 15 o 10.470  2.4800 5.675000       4.960000  
1 1 1 10 13 16 o 23.670  1.8660 5.137000       3.732000  
1 1 1 10 13 17 o 11.370  2.6730 -4.406000      5.345000  
1 1 1 10 14 0  o 7.7710  5.0580 -0.000000      0.000000  
1 1 1 10 14 1  o 25.110  3.3780 2.050000       6.755000  
1 1 1 10 14 2  o 15.420  3.8550 0.6860000      7.711000  
1 1 1 10 14 3  o 23.050  3.4660 2.757000       6.933000  
1 1 1 10 14 4  o 29.840  1.9400 -5.360000      3.881000  
1 1 1 10 14 5  o 21.410  2.5870 1.144000       5.173000  
1 1 1 10 14 6  o 19.320  2.9510 -0.1027000     5.903000  
1 1 1 10 14 7  o 36.720  1.6440 6.257000       3.289000  
1 1 1 10 14 8  o 16.910  1.2270 -0.2241000     2.454000  
1 1 1 10 14 9  o 24.120  0.9288 -0.9896000     1.858000  
1 1 1 10 14 10 o 28.150  0.9270 -2.503000      1.854000  
1 1 1 10 14 11 o 27.660  1.0520 -5.072000      2.104000  
1 1 1 10 14 12 o 8.7500  2.2520 -2.432000      4.504000  
1 1 1 10 14 13 o 14.330  2.1480 -6.386000      4.295000  
1 1 1 10 14 14 o 10.870  2.4850 2.908000       4.970000  
1 1 1 10 15 0  f 21.040  4.7640 -0.000000      0.000000  
1 1 1 10 15 1  o 18.300  3.3950 -6.192000      6.791000  
1 1 1 10 15 2  o 13.040  3.1300 -9.573000      6.259000  
1 1 1 10 15 3  o 14.680  2.7570 -3.976000      5.515000  
1 1 1 10 15 4  o 21.870  2.1070 -4.174000      4.215000  
1 1 1 10 15 5  o 21.290  2.7620 10.39000       5.524000  
1 1 1 10 15 6  o 11.710  2.8890 -5.888000      5.779000  
1 1 1 10 15 7  f 6.7480  1.6740 -1.428000      3.347000  
1 1 1 10 15 8  o 12.030  1.6310 -0.3031000     3.262000  
1 1 1 10 15 9  f 7.4390  2.1090 -0.3205000     4.219000  
1 1 1 10 15 10 o 13.450  1.8310 -2.725000      3.661000  
1 1 1 10 15 11 f 7.7690  2.6240 -1.102000      5.249000  
1 1 1 10 16 0  o 31.940  2.5790 -0.000000      0.000000  
1 1 1 10 16 1  o 24.400  2.5140 10.52000       5.028000  
1 1 1 10 16 2  o 20.770  1.9980 -0.9597000     3.996000  
1 1 1 10 16 3  o 9.7430  2.5060 -1.758000      5.012000  
1 1 1 10 16 4  o 10.110  2.5820 -9.171000      5.165000  
1 1 1 10 16 5  o 9.7480  2.7420 2.411000       5.483000  
1 1 1 11 0  1  o 54.570  1.3260 -0.000000      0.000000  
1 1 1 11 0  2  o 73.820  1.1570 -0.000000      0.000000  
1 1 1 11 0  3  o 9.1220  4.9440 -0.000000      0.000000  
1 1 1 11 0  4  o 21.190  3.2290 -0.000000      0.000000  
1 1 1 11 0  5  o 41.240  1.6770 -0.000000      0.000000  
1 1 1 11 0  6  o 6.6560  4.2980 -0.000000      0.000000  
1 1 1 11 0  7  o 49.940  1.5530 -0.000000      0.000000  
1 1 1 11 0  8  f 49.640  1.5480 -0.000000      0.000000  
1 1 1 11 0  9  o 51.780  1.4890 -0.000000      0.000000  
1 1 1 11 0  10 o 12.440  5.2030 -0.000000      0.000000  
1 1 1 11 0  11 o 30.560  2.2520 -0.000000      0.000000  
1 1 1 11 0  12 f 25.000  2.7710 -0.000000      0.000000  
1 1 1 11 0  13 o 21.010  3.5940 -0.000000      0.000000  
1 1 1 11 0  14 o 13.870  5.3690 -0.000000      0.000000  
1 1 1 11 0  15 o 61.200  1.3840 -0.000000      0.000000  
1 1 1 11 0  16 o 48.480  1.5980 -0.000000      0.000000  
1 1 1 11 0  17 o 17.770  4.5020 -0.000000      0.000000  
1 1 1 11 0  18 o 10.710  5.2070 -0.000000      0.000000  
1 1 1 11 0  19 o 41.000  1.8700 -0.000000      0.000000  
1 1 1 11 0  20 o 11.820  5.3410 -0.000000      0.000000  
1 1 1 11 0  21 o 51.990  1.4760 -0.000000      0.000000  
1 1 1 11 0  22 o 19.530  4.0020 -0.000000      0.000000  
1 1 1 11 0  23 o 8.3320  4.8430 -0.000000      0.000000  
1 1 1 11 0  24 o 6.3510  4.0950 -0.000000      0.000000  
1 1 1 11 0  25 o 5.3780  3.6770 -0.000000      0.000000  
1 1 1 11 1  0  o 35.440  1.8420 -0.000000      0.000000  
1 1 1 11 1  1  o 63.410  0.8782 0.1624000      1.756000  
1 1 1 11 1  2  o 43.250  1.1260 0.1632000      2.252000  
1 1 1 11 1  3  o 60.180  0.9004 1.338000       1.801000  
1 1 1 11 1  4  o 79.840  0.8277 -1.407000      1.655000  
1 1 1 11 1  5  o 39.160  1.2520 3.622000       2.503000  
1 1 1 11 1  6  o 49.260  1.0660 -0.9001000     2.133000  
1 1 1 11 1  7  o 22.040  2.2650 -2.503000      4.529000  
1 1 1 11 1  8  o 23.420  2.2350 3.190000       4.470000  
1 1 1 11 1  9  o 50.920  1.1990 -2.882000      2.398000  
1 1 1 11 1  10 o 51.010  1.4760 3.383000       2.951000  
1 1 1 11 1  11 o 37.610  1.3260 0.8286000E-01  2.652000  
1 1 1 11 1  12 o 89.020  0.8683 -0.9142000     1.737000  
1 1 1 11 1  13 o 55.360  1.0160 0.7647000      2.033000  
1 1 1 11 1  14 o 65.820  0.9233 -0.6348000     1.847000  
1 1 1 11 1  15 o 20.100  2.6360 7.470000       5.272000  
1 1 1 11 1  16 o 40.180  1.2980 1.891000       2.597000  
1 1 1 11 1  17 o 29.450  1.7080 -3.186000      3.416000  
1 1 1 11 1  18 o 18.290  2.8090 0.3064000      5.617000  
1 1 1 11 1  19 o 37.660  1.3620 0.7003000      2.724000  
1 1 1 11 1  20 o 39.670  1.2480 0.8175000      2.496000  
1 1 1 11 1  21 o 23.530  2.1310 1.072000       4.262000  
1 1 1 11 1  22 o 9.7880  2.9480 -1.211000      5.896000  
1 1 1 11 1  23 o 7.3890  2.4420 -2.168000      4.883000  
1 1 1 11 1  24 o 12.400  2.8590 -6.374000      5.717000  
1 1 1 11 1  25 f 11.530  2.9820 2.470000       5.964000  
1 1 1 11 2  0  o 35.620  1.8410 -0.000000      0.000000  
1 1 1 11 2  1  o 21.570  2.2040 6.251000       4.408000  
1 1 1 11 2  2  o 85.800  0.8157 0.8966000      1.631000  
1 1 1 11 2  3  o 19.750  2.3580 2.589000       4.716000  
1 1 1 11 2  4  o 44.280  1.1170 -3.147000      2.234000  
1 1 1 11 2  5  o 39.500  1.2550 0.9205000      2.510000  
1 1 1 11 2  6  o 84.060  0.8359 1.677000       1.672000  
1 1 1 11 2  7  o 27.480  1.8030 3.983000       3.607000  
1 1 1 11 2  8  o 71.660  0.8986 1.236000       1.797000  
1 1 1 11 2  9  o 63.030  0.9798 0.2183000      1.960000  
1 1 1 11 2  10 o 43.990  1.2180 0.4801000      2.437000  
1 1 1 11 2  11 o 48.390  1.0680 1.141000       2.136000  
1 1 1 11 2  12 o 17.600  2.6490 -3.566000      5.297000  
1 1 1 11 2  13 o 25.870  1.8750 -3.283000      3.749000  
1 1 1 11 2  14 o 23.580  2.1120 -2.512000      4.223000  
1 1 1 11 2  15 o 11.040  2.9780 -2.662000      5.956000  
1 1 1 11 2  16 f 23.190  2.1860 1.618000       4.373000  
1 1 1 11 2  17 f 15.580  2.9900 4.420000       5.980000  
1 1 1 11 2  18 o 16.940  2.8400 -1.918000      5.681000  
1 1 1 11 2  19 o 13.340  2.8890 -5.179000      5.778000  
1 1 1 11 2  20 o 19.950  2.4750 -3.366000      4.950000  
1 1 1 11 2  21 o 9.1460  2.8060 -0.2819000     5.611000  
1 1 1 11 2  22 o 20.680  2.3410 -0.8241000     4.682000  
1 1 1 11 2  23 o 22.150  2.1920 -2.437000      4.383000  
1 1 1 11 2  24 o 35.260  1.4500 3.171000       2.899000  
1 1 1 11 2  25 o 21.540  2.2290 1.708000       4.459000  
1 1 1 11 3  0  o 77.780  1.1620 -0.000000      0.000000  
1 1 1 11 3  1  o 102.200 0.8480 0.5563000      1.696000  
1 1 1 11 3  2  o 93.320  0.8247 1.560000       1.649000  
1 1 1 11 3  3  f 43.280  1.1340 -0.9930000     2.268000  
1 1 1 11 3  4  o 54.760  0.9544 0.4545000      1.909000  
1 1 1 11 3  5  o 26.460  1.8040 4.941000       3.608000  
1 1 1 11 3  6  o 45.740  1.0900 0.7910000      2.180000  
1 1 1 11 3  7  o 20.950  2.3060 0.2607000      4.612000  
1 1 1 11 3  8  o 50.840  1.0730 0.2188000      2.146000  
1 1 1 11 3  9  o 60.790  0.9759 -0.1482000     1.952000  
1 1 1 11 3  10 o 16.870  2.9090 1.353000       5.818000  
1 1 1 11 3  11 o 27.470  1.8030 -2.013000      3.607000  
1 1 1 11 3  12 o 22.050  2.0800 4.837000       4.160000  
1 1 1 11 3  13 o 22.860  2.0050 1.725000       4.010000  
1 1 1 11 3  14 o 42.970  1.1620 1.433000       2.325000  
1 1 1 11 3  15 o 24.970  1.9120 0.7206000      3.824000  
1 1 1 11 3  16 o 29.080  2.0100 6.188000       4.019000  
1 1 1 11 3  17 o 19.080  2.6630 5.320000       5.327000  
1 1 1 11 3  18 o 24.980  1.8310 0.7338000E-01  3.662000  
1 1 1 11 3  19 o 14.060  3.0100 -1.193000      6.021000  
1 1 1 11 3  20 o 30.140  1.5550 1.027000       3.109000  
1 1 1 11 3  21 o 23.480  2.0880 -0.4693000     4.176000  
1 1 1 11 3  22 o 15.160  2.8760 4.948000       5.752000  
1 1 1 11 3  23 o 19.740  2.3940 2.642000       4.788000  
1 1 1 11 3  24 o 10.690  2.9890 -0.5098000     5.977000  
1 1 1 11 3  25 o 11.400  3.0400 -1.435000      6.081000  
1 1 1 11 4  0  o 88.010  1.1740 -0.000000      0.000000  
1 1 1 11 4  1  o 28.750  1.6050 1.112000       3.210000  
1 1 1 11 4  2  o 59.000  0.8781 0.7530000      1.756000  
1 1 1 11 4  3  o 32.290  1.4250 1.025000       2.850000  
1 1 1 11 4  4  o 22.080  2.1270 4.152000       4.254000  
1 1 1 11 4  5  o 61.640  0.8836 2.920000       1.767000  
1 1 1 11 4  6  o 25.110  1.8410 -0.4486000     3.683000  
1 1 1 11 4  7  o 16.050  2.7820 0.1255000      5.565000  
1 1 1 11 4  8  f 32.780  1.5440 2.726000       3.087000  
1 1 1 11 4  9  o 31.310  1.6010 3.781000       3.202000  
1 1 1 11 4  10 o 27.440  1.7810 -2.508000      3.562000  
1 1 1 11 4  11 f 14.720  2.7540 -9.529000      5.508000  
1 1 1 11 4  12 o 30.870  1.5680 -4.069000      3.137000  
1 1 1 11 4  13 o 8.0610  2.5650 -0.4797000     5.129000  
1 1 1 11 4  14 f 8.7040  2.6090 3.002000       5.218000  
1 1 1 11 4  15 o 37.040  1.2980 2.216000       2.596000  
1 1 1 11 4  16 o 38.260  1.2720 -0.9296000     2.544000  
1 1 1 11 4  17 o 20.360  2.1760 -2.931000      4.351000  
1 1 1 11 4  18 o 17.330  2.6440 5.399000       5.287000  
1 1 1 11 4  19 o 14.370  2.6960 9.001000       5.391000  
1 1 1 11 4  20 o 19.870  2.4070 1.693000       4.814000  
1 1 1 11 4  21 o 10.400  2.8970 -1.431000      5.794000  
1 1 1 11 4  22 o 14.320  2.9970 3.326000       5.995000  
1 1 1 11 4  23 o 28.260  1.7430 -0.2235000     3.486000  
1 1 1 11 4  24 o 11.360  2.6260 -8.230000      5.252000  
1 1 1 11 5  0  o 15.130  4.5680 -0.000000      0.000000  
1 1 1 11 5  1  o 39.650  1.1290 -3.149000      2.257000  
1 1 1 11 5  2  f 45.410  1.0330 0.8256000E-01  2.066000  
1 1 1 11 5  3  o 65.730  0.8274 -1.283000      1.655000  
1 1 1 11 5  4  o 49.250  0.9552 -1.474000      1.910000  
1 1 1 11 5  5  o 75.580  0.8366 -0.4838000     1.673000  
1 1 1 11 5  6  o 27.750  1.5820 -4.492000      3.163000  
1 1 1 11 5  7  o 22.040  2.0540 -1.699000      4.107000  
1 1 1 11 5  8  o 14.180  2.8460 0.9862000      5.692000  
1 1 1 11 5  9  o 28.710  1.6120 0.5976000      3.224000  
1 1 1 11 5  10 o 45.670  1.0900 3.139000       2.180000  
1 1 1 11 5  11 o 12.820  2.9270 1.699000       5.853000  
1 1 1 11 5  12 o 20.500  2.3880 5.409000       4.777000  
1 1 1 11 5  13 o 24.660  2.0760 5.425000       4.153000  
1 1 1 11 5  14 o 27.520  1.7260 7.677000       3.453000  
1 1 1 11 5  15 o 28.900  1.5920 -0.6140000     3.185000  
1 1 1 11 5  16 f 18.000  2.3540 1.548000       4.709000  
1 1 1 11 5  17 o 9.5510  2.6750 -4.321000      5.351000  
1 1 1 11 5  18 o 46.410  1.0660 2.834000       2.132000  
1 1 1 11 5  19 o 34.770  1.3470 3.946000       2.694000  
1 1 1 11 5  20 o 15.910  2.7920 0.9070000      5.585000  
1 1 1 11 5  21 o 11.360  2.9990 -1.354000      5.998000  
1 1 1 11 5  22 f 9.3940  2.6800 -4.794000      5.359000  
1 1 1 11 5  23 o 18.730  3.1290 -7.099000      6.258000  
1 1 1 11 5  24 o 22.280  2.3770 1.686000       4.754000  
1 1 1 11 6  0  o 17.980  3.5750 -0.000000      0.000000  
1 1 1 11 6  1  o 45.560  0.9612 -1.574000      1.922000  
1 1 1 11 6  2  o 23.890  1.7010 -0.9475000     3.403000  
1 1 1 11 6  3  o 41.850  1.0200 1.157000       2.041000  
1 1 1 11 6  4  o 66.980  0.8217 -0.7824000     1.643000  
1 1 1 11 6  5  o 16.810  2.3650 4.526000       4.730000  
1 1 1 11 6  6  f 62.680  0.8199 -1.220000      1.640000  
1 1 1 11 6  7  f 55.760  0.8748 -2.796000      1.750000  
1 1 1 11 6  8  o 26.910  1.4820 0.5401000      2.963000  
1 1 1 11 6  9  o 49.800  0.9824 3.147000       1.965000  
1 1 1 11 6  10 o 22.470  1.8400 -4.983000      3.680000  
1 1 1 11 6  11 o 15.150  2.4210 10.08000       4.842000  
1 1 1 11 6  12 o 35.720  1.2940 -0.9297000     2.589000  
1 1 1 11 6  13 o 20.930  2.3590 4.356000       4.719000  
1 1 1 11 6  14 o 38.020  1.1460 -1.901000      2.293000  
1 1 1 11 6  15 o 17.020  2.4010 0.1615000      4.802000  
1 1 1 11 6  16 f 32.040  1.3130 0.5330000      2.626000  
1 1 1 11 6  17 o 12.750  2.7830 2.818000       5.565000  
1 1 1 11 6  18 o 14.300  2.7910 -3.284000      5.583000  
1 1 1 11 6  19 o 8.2650  2.5880 0.8416000      5.176000  
1 1 1 11 6  20 o 11.890  2.8810 -3.652000      5.762000  
1 1 1 11 6  21 o 9.6830  2.7950 4.813000       5.590000  
1 1 1 11 6  22 o 17.380  2.7680 8.124000       5.536000  
1 1 1 11 6  23 o 12.100  3.1220 0.6630000      6.244000  
1 1 1 11 7  0  o 40.030  1.3900 -0.000000      0.000000  
1 1 1 11 7  1  o 60.150  0.7781 0.7515000E-02  1.556000  
1 1 1 11 7  2  o 76.720  0.7504 2.647000       1.501000  
1 1 1 11 7  3  o 47.120  0.8611 1.074000       1.722000  
1 1 1 11 7  4  o 36.290  1.0040 0.5503000      2.008000  
1 1 1 11 7  5  o 30.180  1.1360 -2.259000      2.272000  
1 1 1 11 7  6  o 16.880  2.1650 1.827000       4.331000  
1 1 1 11 7  7  o 9.1320  2.5020 -5.448000      5.004000  
1 1 1 11 7  8  o 22.590  1.5970 -0.1277000     3.194000  
1 1 1 11 7  9  o 68.810  0.8247 0.6498000      1.649000  
1 1 1 11 7  10 o 16.370  2.4370 -3.945000      4.874000  
1 1 1 11 7  11 o 41.840  1.0500 1.313000       2.099000  
1 1 1 11 7  12 f 24.770  1.7260 -0.1250000     3.451000  
1 1 1 11 7  13 o 18.190  2.3500 -3.774000      4.700000  
1 1 1 11 7  14 o 27.930  1.4100 -0.6688000     2.819000  
1 1 1 11 7  15 o 20.960  1.9610 3.583000       3.923000  
1 1 1 11 7  16 o 8.7890  2.6270 1.461000       5.254000  
1 1 1 11 7  17 f 13.760  2.7570 6.099000       5.514000  
1 1 1 11 7  18 o 10.800  2.8440 -2.360000      5.687000  
1 1 1 11 7  19 o 22.870  1.9730 0.1692000      3.945000  
1 1 1 11 7  20 o 10.370  2.8920 0.3468000      5.784000  
1 1 1 11 7  21 o 10.930  2.9630 0.8325000      5.925000  
1 1 1 11 7  22 o 11.750  3.0210 3.610000       6.042000  
1 1 1 11 8  0  o 14.970  3.2710 -0.000000      0.000000  
1 1 1 11 8  1  o 30.650  1.0680 2.278000       2.135000  
1 1 1 11 8  2  o 39.560  0.8137 -1.768000      1.627000  
1 1 1 11 8  3  o 49.100  0.7523 1.372000       1.505000  
1 1 1 11 8  4  o 18.240  1.5870 1.239000       3.174000  
1 1 1 11 8  5  o 40.930  0.8330 -0.9395000     1.666000  
1 1 1 11 8  6  o 33.910  0.9863 -1.770000      1.973000  
1 1 1 11 8  7  o 16.640  1.9410 -3.421000      3.883000  
1 1 1 11 8  8  o 34.760  1.0150 -1.852000      2.031000  
1 1 1 11 8  9  o 11.660  2.3120 -9.337000      4.624000  
1 1 1 11 8  10 o 21.890  1.8150 1.996000       3.631000  
1 1 1 11 8  11 o 19.740  2.2400 5.192000       4.480000  
1 1 1 11 8  12 o 17.000  2.4700 0.4131000      4.941000  
1 1 1 11 8  13 o 14.650  2.8230 -3.672000      5.647000  
1 1 1 11 8  14 f 11.720  2.7330 -1.833000      5.467000  
1 1 1 11 8  15 o 18.270  2.2620 2.601000       4.524000  
1 1 1 11 8  16 o 20.220  1.9870 2.695000       3.973000  
1 1 1 11 8  17 o 11.420  2.8480 0.5420000      5.697000  
1 1 1 11 8  18 o 24.940  1.7690 1.478000       3.538000  
1 1 1 11 8  19 o 11.110  2.6620 -5.406000      5.324000  
1 1 1 11 8  20 o 9.4330  2.7220 4.316000       5.445000  
1 1 1 11 8  21 o 7.0650  2.3650 0.1546000      4.730000  
1 1 1 11 9  0  o 44.280  1.0370 -0.000000      0.000000  
1 1 1 11 9  1  o 34.190  0.6962 0.3219000      1.392000  
1 1 1 11 9  2  o 20.360  1.1130 1.948000       2.226000  
1 1 1 11 9  3  o 17.440  1.3160 -1.666000      2.633000  
1 1 1 11 9  4  o 45.540  0.7190 0.8118000      1.438000  
1 1 1 11 9  5  o 40.280  0.7778 1.293000       1.556000  
1 1 1 11 9  6  o 22.210  1.3010 -0.8543000E-01 2.602000  
1 1 1 11 9  7  o 58.290  0.7455 1.244000       1.491000  
1 1 1 11 9  8  o 27.790  1.1020 -1.027000      2.205000  
1 1 1 11 9  9  o 42.400  0.8824 -1.733000      1.765000  
1 1 1 11 9  10 o 15.460  2.2610 3.822000       4.523000  
1 1 1 11 9  11 o 29.610  1.2070 -1.571000      2.414000  
1 1 1 11 9  12 o 29.510  1.3350 -2.280000      2.671000  
1 1 1 11 9  13 o 19.960  1.7380 2.198000       3.477000  
1 1 1 11 9  14 o 24.800  1.4440 2.812000       2.888000  
1 1 1 11 9  15 o 17.500  2.0830 -2.119000      4.165000  
1 1 1 11 9  16 o 10.150  2.7430 1.903000       5.486000  
1 1 1 11 9  17 o 5.7880  2.0030 0.5320000      4.006000  
1 1 1 11 9  18 o 8.6740  2.6120 2.788000       5.225000  
1 1 1 11 9  19 o 16.190  2.7100 -2.605000      5.420000  
1 1 1 11 9  20 o 8.7810  2.6800 -0.9774000     5.361000  
1 1 1 11 10 0  o 26.520  5.4800 -0.000000      0.000000  
1 1 1 11 10 1  o 15.970  4.0940 -3.572000      8.187000  
1 1 1 11 10 2  o 14.410  1.6770 -4.617000      3.355000  
1 1 1 11 10 3  o 49.840  0.8461 -0.9784000     1.692000  
1 1 1 11 10 4  o 37.730  1.0290 -1.240000      2.059000  
1 1 1 11 10 5  o 25.510  0.9044 -2.159000      1.809000  
1 1 1 11 10 6  o 25.430  0.9875 2.984000       1.975000  
1 1 1 11 10 7  o 21.030  1.2850 -0.4753000     2.571000  
1 1 1 11 10 8  o 31.210  1.2010 -4.387000      2.402000  
1 1 1 11 10 9  o 17.190  1.7980 -4.352000      3.596000  
1 1 1 11 10 10 o 26.050  1.3270 3.557000       2.654000  
1 1 1 11 10 11 o 39.750  1.0770 -4.872000      2.154000  
1 1 1 11 10 12 o 31.190  1.5240 -2.404000      3.047000  
1 1 1 11 10 13 o 13.170  2.2230 -8.780000      4.445000  
1 1 1 11 10 14 o 19.450  1.8530 1.290000       3.707000  
1 1 1 11 10 15 o 11.710  2.3620 8.566000       4.724000  
1 1 1 11 10 16 o 21.890  1.7890 1.073000       3.579000  
1 1 1 11 10 17 o 19.910  2.1020 0.6497000      4.204000  
1 1 1 11 10 18 o 17.180  2.5200 2.920000       5.040000  
1 1 1 11 10 19 x ?       ?      ?              ?         
1 1 1 11 11 0  o 19.920  6.6220 -0.000000      0.000000  
1 1 1 11 11 1  o 26.300  3.3280 10.61000       6.656000  
1 1 1 11 11 2  o 22.570  3.4450 3.890000       6.890000  
1 1 1 11 11 3  o 15.750  3.1690 -7.878000      6.338000  
1 1 1 11 11 4  o 43.770  0.8069 -1.507000      1.614000  
1 1 1 11 11 5  o 25.550  1.2910 -1.363000      2.582000  
1 1 1 11 11 6  o 18.070  1.9870 -1.416000      3.974000  
1 1 1 11 11 7  o 48.040  0.7664 -5.452000      1.533000  
1 1 1 11 11 8  o 20.140  1.6460 -8.418000      3.292000  
1 1 1 11 11 9  o 30.220  1.0040 -1.396000      2.007000  
1 1 1 11 11 10 o 20.770  1.4590 -2.993000      2.918000  
1 1 1 11 11 11 o 27.810  1.0550 -0.1864000     2.110000  
1 1 1 11 11 12 o 16.580  1.9010 2.646000       3.801000  
1 1 1 11 11 13 o 27.540  1.1880 2.748000       2.376000  
1 1 1 11 11 14 o 20.890  1.6760 -0.6151000     3.351000  
1 1 1 11 11 15 o 22.520  1.6300 0.2635000      3.260000  
1 1 1 11 11 16 o 20.180  1.8590 3.414000       3.717000  
1 1 1 11 11 17 o 7.6990  2.5190 1.392000       5.038000  
1 1 1 11 12 0  o 21.980  5.8810 -0.000000      0.000000  
1 1 1 11 12 1  o 21.270  3.5170 1.321000       7.034000  
1 1 1 11 12 2  o 20.710  3.7050 -1.961000      7.410000  
1 1 1 11 12 3  f 21.910  3.5880 -2.826000      7.177000  
1 1 1 11 12 4  o 14.590  3.6940 -6.948000      7.388000  
1 1 1 11 12 5  o 15.830  1.7210 -7.920000      3.442000  
1 1 1 11 12 6  o 13.090  2.2790 1.158000       4.557000  
1 1 1 11 12 7  o 17.780  1.9930 -6.120000      3.987000  
1 1 1 11 12 8  o 10.160  2.5940 -0.1791000     5.188000  
1 1 1 11 12 9  o 26.920  1.0030 -2.326000      2.006000  
1 1 1 11 12 10 o 8.5790  2.3290 1.194000       4.659000  
1 1 1 11 12 11 o 9.6090  2.2380 -1.271000      4.476000  
1 1 1 11 12 12 o 20.420  1.3780 1.043000       2.757000  
1 1 1 11 12 13 o 15.520  2.0540 -8.748000      4.108000  
1 1 1 11 12 14 o 9.4580  2.4550 3.024000       4.910000  
1 1 1 11 12 15 o 7.4440  3.4460 ?              ?         
1 1 1 11 13 0  o 18.920  5.9260 -0.000000      0.000000  
1 1 1 11 13 1  o 27.350  2.6610 -3.277000      5.323000  
1 1 1 11 13 2  o 25.620  2.9270 -0.6767000     5.854000  
1 1 1 11 13 3  o 24.330  3.1050 1.518000       6.209000  
1 1 1 11 13 4  o 17.980  3.7060 -1.952000      7.412000  
1 1 1 11 13 5  o 8.2070  2.4990 -1.431000      4.998000  
1 1 1 11 13 6  o 6.2270  1.9780 1.931000       3.956000  
1 1 1 11 13 7  o 13.930  2.1430 -2.560000      4.287000  
1 1 1 11 13 8  o 17.320  1.8980 -6.944000      3.797000  
1 1 1 11 13 9  o 14.100  1.6700 -2.950000      3.341000  
1 1 1 11 13 10 o 12.000  1.8020 0.7618000      3.603000  
1 1 1 11 13 11 f 40.820  0.7121 -1.929000      1.424000  
1 1 1 11 13 12 o 7.1620  2.4800 -1.692000      4.961000  
1 1 1 11 14 0  o 13.100  6.4070 -0.000000      0.000000  
1 1 1 11 14 1  o 12.680  3.3280 -3.958000      6.656000  
1 1 1 11 14 2  o 14.620  3.6600 0.3113000      7.319000  
1 1 1 11 14 3  o 25.660  2.2540 -1.947000      4.508000  
1 1 1 11 14 4  o 24.550  2.7820 2.537000       5.563000  
1 1 1 11 14 5  o 9.7830  2.1190 2.988000       4.238000  
1 1 1 11 14 6  o 9.1000  2.7410 -6.978000      5.483000  
1 1 1 11 14 7  o 10.150  2.5970 1.739000       5.194000  
1 1 1 11 14 8  o 8.4310  2.8990 -3.727000      5.797000  
1 1 1 12 0  0  o 14.120  6.3580 -0.000000      0.000000  
1 1 1 12 0  1  o 69.590  1.2360 -0.000000      0.000000  
1 1 1 12 0  2  o 22.150  3.2270 -0.000000      0.000000  
1 1 1 12 0  3  o 54.600  1.4180 -0.000000      0.000000  
1 1 1 12 0  4  o 21.660  3.4970 -0.000000      0.000000  
1 1 1 12 0  5  o 26.390  2.7940 -0.000000      0.000000  
1 1 1 12 0  6  o 7.2190  4.5490 -0.000000      0.000000  
1 1 1 12 0  7  o 9.9830  5.3760 -0.000000      0.000000  
1 1 1 12 0  8  o 55.290  1.4830 -0.000000      0.000000  
1 1 1 12 0  9  o 24.710  3.3090 -0.000000      0.000000  
1 1 1 12 0  10 o 37.160  1.8290 -0.000000      0.000000  
1 1 1 12 0  11 o 35.990  1.9950 -0.000000      0.000000  
1 1 1 12 0  12 f 6.1710  4.1080 -0.000000      0.000000  
1 1 1 12 0  13 o 14.180  5.2140 -0.000000      0.000000  
1 1 1 12 0  14 o 30.970  2.3690 -0.000000      0.000000  
1 1 1 12 0  15 o 28.440  2.5560 -0.000000      0.000000  
1 1 1 12 0  16 o 16.580  4.5800 -0.000000      0.000000  
1 1 1 12 0  17 o 12.110  5.3130 -0.000000      0.000000  
1 1 1 12 0  18 o 16.960  4.5540 -0.000000      0.000000  
1 1 1 12 0  19 o 6.9850  4.3960 -0.000000      0.000000  
1 1 1 12 0  20 o 42.630  1.7330 -0.000000      0.000000  
1 1 1 12 0  21 o 30.040  2.1490 -0.000000      0.000000  
1 1 1 12 0  22 o 12.270  5.1500 -0.000000      0.000000  
1 1 1 12 1  0  o 40.430  1.7360 -0.000000      0.000000  
1 1 1 12 1  1  o 59.190  0.9425 0.6513000E-01  1.885000  
1 1 1 12 1  2  o 26.020  1.8540 2.319000       3.709000  
1 1 1 12 1  3  o 22.510  2.3490 9.009000       4.699000  
1 1 1 12 1  4  o 22.570  2.2710 -0.9222000     4.542000  
1 1 1 12 1  5  o 23.160  2.3140 8.332000       4.628000  
1 1 1 12 1  6  o 24.470  2.1420 4.209000       4.283000  
1 1 1 12 1  7  o 41.190  1.3260 0.6787000      2.653000  
1 1 1 12 1  8  o 14.420  3.0790 -4.903000      6.159000  
1 1 1 12 1  9  o 28.980  1.9790 4.327000       3.958000  
1 1 1 12 1  10 o 25.430  2.2520 0.5343000E-01  4.503000  
1 1 1 12 1  11 f 40.690  1.2420 1.917000       2.484000  
1 1 1 12 1  12 o 24.360  2.0940 6.016000       4.187000  
1 1 1 12 1  13 o 24.330  2.0830 2.181000       4.167000  
1 1 1 12 1  14 o 24.090  2.0790 3.631000       4.159000  
1 1 1 12 1  15 o 14.470  3.0180 -4.983000      6.035000  
1 1 1 12 1  16 o 24.560  2.0630 2.902000       4.126000  
1 1 1 12 1  17 o 13.460  2.9990 -3.888000      5.998000  
1 1 1 12 1  18 o 12.100  2.7990 7.063000       5.599000  
1 1 1 12 1  19 f 11.290  3.0470 -0.2221000E-01 6.094000  
1 1 1 12 1  20 o 9.0290  2.7510 -2.034000      5.502000  
1 1 1 12 1  21 o 15.250  2.8260 4.815000       5.653000  
1 1 1 12 1  22 o 15.430  2.8780 3.097000       5.756000  
1 1 1 12 2  0  o 41.970  1.7030 -0.000000      0.000000  
1 1 1 12 2  1  o 39.550  1.2790 -1.053000      2.558000  
1 1 1 12 2  2  o 35.080  1.3900 -2.371000      2.779000  
1 1 1 12 2  3  o 26.910  1.8470 -4.485000      3.695000  
1 1 1 12 2  4  o 18.040  2.6740 9.701000       5.348000  
1 1 1 12 2  5  o 30.410  1.6520 -1.359000      3.305000  
1 1 1 12 2  6  o 20.390  2.5370 5.280000       5.075000  
1 1 1 12 2  7  o 20.100  2.5900 0.1462000      5.179000  
1 1 1 12 2  8  o 13.180  2.9470 4.222000       5.894000  
1 1 1 12 2  9  o 31.860  1.6740 -0.6088000E-02 3.349000  
1 1 1 12 2  10 o 52.900  1.1320 -1.764000      2.265000  
1 1 1 12 2  11 o 12.890  3.2680 -1.950000      6.536000  
1 1 1 12 2  12 o 12.550  2.8990 -7.000000      5.799000  
1 1 1 12 2  13 o 45.820  1.1180 -0.6908000     2.236000  
1 1 1 12 2  14 o 13.540  3.0720 1.701000       6.143000  
1 1 1 12 2  15 o 43.410  1.1890 0.9976000      2.378000  
1 1 1 12 2  16 o 9.0940  2.7980 -0.7748000     5.596000  
1 1 1 12 2  17 o 10.850  2.8690 -5.682000      5.738000  
1 1 1 12 2  18 o 13.990  2.9750 4.115000       5.950000  
1 1 1 12 2  19 o 12.300  3.0190 3.151000       6.038000  
1 1 1 12 2  20 o 17.420  2.7390 -2.140000      5.478000  
1 1 1 12 2  21 o 18.980  2.6060 -0.5931000     5.211000  
1 1 1 12 2  22 o 16.340  3.0730 2.118000       6.145000  
1 1 1 12 3  0  o 29.770  2.2460 -0.000000      0.000000  
1 1 1 12 3  1  o 26.510  1.8310 -4.817000      3.663000  
1 1 1 12 3  2  o 24.910  1.8800 -0.9623000     3.761000  
1 1 1 12 3  3  o 45.390  1.1030 2.535000       2.205000  
1 1 1 12 3  4  o 21.840  2.2270 -1.701000      4.453000  
1 1 1 12 3  5  o 16.270  2.8600 2.211000       5.720000  
1 1 1 12 3  6  o 20.610  2.4960 -7.104000      4.991000  
1 1 1 12 3  7  f 28.070  1.9180 -4.500000      3.836000  
1 1 1 12 3  8  o 35.940  1.4640 1.787000       2.928000  
1 1 1 12 3  9  o 13.170  3.1660 -0.7151000     6.333000  
1 1 1 12 3  10 o 10.410  3.0140 -4.981000      6.027000  
1 1 1 12 3  11 o 14.940  2.8170 8.080000       5.634000  
1 1 1 12 3  12 o 12.300  3.2150 -1.282000      6.431000  
1 1 1 12 3  13 o 25.670  1.9360 6.049000       3.872000  
1 1 1 12 3  14 o 11.280  2.8720 3.996000       5.743000  
1 1 1 12 3  15 o 9.9410  2.8800 0.1456000      5.760000  
1 1 1 12 3  16 o 11.920  2.9280 4.429000       5.855000  
1 1 1 12 3  17 o 15.970  2.7850 6.313000       5.571000  
1 1 1 12 3  18 o 27.160  1.8030 2.671000       3.606000  
1 1 1 12 3  19 o 9.1070  2.7770 -1.565000      5.555000  
1 1 1 12 3  20 o 31.270  1.8500 8.122000       3.699000  
1 1 1 12 3  21 o 17.220  2.6550 -5.682000      5.310000  
1 1 1 12 4  0  o 12.840  5.0570 -0.000000      0.000000  
1 1 1 12 4  1  o 44.810  1.0900 3.117000       2.180000  
1 1 1 12 4  2  o 49.350  1.0110 1.155000       2.022000  
1 1 1 12 4  3  o 36.210  1.2810 -1.191000      2.563000  
1 1 1 12 4  4  o 25.960  1.7820 -2.978000      3.563000  
1 1 1 12 4  5  o 33.280  1.4010 -1.482000      2.802000  
1 1 1 12 4  6  o 20.830  2.5300 -2.589000      5.060000  
1 1 1 12 4  7  o 23.430  2.0170 -2.692000      4.034000  
1 1 1 12 4  8  o 40.890  1.2480 -0.6901000     2.496000  
1 1 1 12 4  9  o 11.320  3.0590 -1.728000      6.118000  
1 1 1 12 4  10 o 12.130  3.0620 -1.105000      6.123000  
1 1 1 12 4  11 o 12.270  3.0450 -1.129000      6.090000  
1 1 1 12 4  12 o 14.640  3.0860 -4.021000      6.172000  
1 1 1 12 4  13 o 7.2570  2.4080 -1.085000      4.817000  
1 1 1 12 4  14 o 12.410  2.5640 -10.38000      5.128000  
1 1 1 12 4  15 f 10.280  2.8510 1.847000       5.701000  
1 1 1 12 4  16 o 11.500  2.8920 -4.799000      5.784000  
1 1 1 12 4  17 o 19.100  2.5020 0.7589000      5.004000  
1 1 1 12 4  18 o 16.870  2.7330 3.524000       5.466000  
1 1 1 12 4  19 o 28.370  1.7490 -0.9310000     3.497000  
1 1 1 12 4  20 o 7.8780  2.5430 1.583000       5.087000  
1 1 1 12 4  21 o 24.960  2.0210 -2.498000      4.043000  
1 1 1 12 5  0  o 15.410  4.5800 -0.000000      0.000000  
1 1 1 12 5  1  o 39.570  1.1740 -0.9207000E-01 2.348000  
1 1 1 12 5  2  o 34.910  1.3010 -0.3552000     2.602000  
1 1 1 12 5  3  o 31.010  1.4360 0.4838000      2.872000  
1 1 1 12 5  4  o 18.070  2.4650 4.493000       4.929000  
1 1 1 12 5  5  o 26.850  1.6660 0.7432000      3.332000  
1 1 1 12 5  6  o 18.570  2.4240 -2.070000      4.847000  
1 1 1 12 5  7  o 24.960  1.9650 5.281000       3.931000  
1 1 1 12 5  8  o 21.160  2.2770 4.340000       4.554000  
1 1 1 12 5  9  o 17.220  2.6150 -2.461000      5.231000  
1 1 1 12 5  10 o 12.660  2.9570 -0.7781000     5.915000  
1 1 1 12 5  11 o 25.170  1.9240 4.852000       3.847000  
1 1 1 12 5  12 o 23.220  2.0610 -0.6292000     4.121000  
1 1 1 12 5  13 o 9.5110  2.8520 -2.213000      5.705000  
1 1 1 12 5  14 o 9.4340  2.6220 4.289000       5.243000  
1 1 1 12 5  15 o 21.280  2.1660 1.048000       4.331000  
1 1 1 12 5  16 o 22.320  2.2960 9.511000       4.592000  
1 1 1 12 5  17 o 21.960  2.4450 7.381000       4.890000  
1 1 1 12 5  18 o 23.350  2.1010 -0.1681000     4.202000  
1 1 1 12 5  19 o 8.6200  2.6560 3.436000       5.312000  
1 1 1 12 5  20 o 8.2210  2.6180 1.143000       5.236000  
1 1 1 12 6  0  o 58.850  1.2380 -0.000000      0.000000  
1 1 1 12 6  1  o 20.290  2.1950 -5.649000      4.391000  
1 1 1 12 6  2  o 36.200  1.2130 -3.317000      2.426000  
1 1 1 12 6  3  o 53.660  0.9080 -1.535000      1.816000  
1 1 1 12 6  4  o 33.570  1.2470 -4.773000      2.495000  
1 1 1 12 6  5  o 16.190  2.5580 2.116000       5.115000  
1 1 1 12 6  6  o 22.650  1.8340 -7.358000      3.669000  
1 1 1 12 6  7  o 45.050  1.0170 2.144000       2.033000  
1 1 1 12 6  8  o 63.740  0.8766 -0.1209000     1.753000  
1 1 1 12 6  9  o 51.260  0.9524 -2.748000      1.905000  
1 1 1 12 6  10 o 19.400  2.3250 0.5810000      4.649000  
1 1 1 12 6  11 o 25.780  1.6980 -5.230000      3.395000  
1 1 1 12 6  12 o 12.000  2.8370 3.127000       5.673000  
1 1 1 12 6  13 o 15.480  2.7920 -1.428000      5.583000  
1 1 1 12 6  14 o 8.7220  2.6730 0.8503000      5.345000  
1 1 1 12 6  15 o 21.620  1.9980 1.052000       3.996000  
1 1 1 12 6  16 o 11.870  2.6950 5.843000       5.389000  
1 1 1 12 6  17 o 14.110  2.9960 0.7158000      5.992000  
1 1 1 12 6  18 o 9.7240  2.7880 -1.519000      5.577000  
1 1 1 12 6  19 o 8.3380  2.6020 -0.9196000     5.204000  
1 1 1 12 7  0  o 31.580  1.7910 -0.000000      0.000000  
1 1 1 12 7  1  o 43.630  0.9600 2.086000       1.920000  
1 1 1 12 7  2  o 30.380  1.2750 -0.7866000     2.550000  
1 1 1 12 7  3  o 16.990  2.1930 -5.190000      4.385000  
1 1 1 12 7  4  o 33.470  1.1500 -1.066000      2.300000  
1 1 1 12 7  5  o 37.360  1.0810 5.177000       2.161000  
1 1 1 12 7  6  o 16.940  2.2500 1.629000       4.500000  
1 1 1 12 7  7  o 43.530  0.9546 -1.584000      1.909000  
1 1 1 12 7  8  o 19.570  1.9480 -1.340000      3.897000  
1 1 1 12 7  9  o 18.370  2.2530 3.752000       4.507000  
1 1 1 12 7  10 o 12.380  2.7060 -6.838000      5.412000  
1 1 1 12 7  11 o 22.900  2.8630 19.38000       5.725000  
1 1 1 12 7  12 f 27.280  1.5160 0.5016000      3.032000  
1 1 1 12 7  13 o 30.110  1.4000 1.310000       2.800000  
1 1 1 12 7  14 o 8.4720  2.6460 -3.352000      5.292000  
1 1 1 12 7  15 o 25.440  1.6990 -6.442000      3.399000  
1 1 1 12 7  16 o 24.840  1.8640 2.367000       3.729000  
1 1 1 12 7  17 o 8.2980  2.5880 1.316000       5.177000  
1 1 1 12 7  18 o 13.750  2.8280 -2.912000      5.655000  
1 1 1 12 8  0  o 30.060  1.5520 -0.000000      0.000000  
1 1 1 12 8  1  o 10.770  2.5090 -0.8089000     5.017000  
1 1 1 12 8  2  o 27.880  1.2080 1.939000       2.416000  
1 1 1 12 8  3  o 12.940  2.3530 0.4263000      4.707000  
1 1 1 12 8  4  o 40.490  0.8759 -0.8736000     1.752000  
1 1 1 12 8  5  o 15.050  2.0740 -4.658000      4.148000  
1 1 1 12 8  6  o 13.320  2.4280 -1.838000      4.856000  
1 1 1 12 8  7  o 13.820  2.3380 4.875000       4.676000  
1 1 1 12 8  8  o 25.980  1.7130 -10.05000      3.426000  
1 1 1 12 8  9  o 27.010  1.3640 1.255000       2.729000  
1 1 1 12 8  10 o 29.260  1.2250 -3.005000      2.449000  
1 1 1 12 8  11 o 15.890  2.3980 -3.409000      4.795000  
1 1 1 12 8  12 o 16.980  2.3670 4.015000       4.735000  
1 1 1 12 8  13 o 15.810  2.5520 -4.743000      5.103000  
1 1 1 12 8  14 o 6.9240  2.3200 -2.622000      4.640000  
1 1 1 12 8  15 o 8.3020  2.6030 -2.134000      5.206000  
1 1 1 12 8  16 o 6.9080  2.2990 1.186000       4.599000  
1 1 1 12 8  17 o 11.150  2.8280 5.399000       5.655000  
1 1 1 12 9  0  o 8.3280  3.8170 -0.000000      0.000000  
1 1 1 12 9  1  o 10.210  2.0140 3.894000       4.027000  
1 1 1 12 9  2  o 6.8450  2.0400 -0.3273000E-01 4.080000  
1 1 1 12 9  3  o 12.000  2.0990 2.175000       4.198000  
1 1 1 12 9  4  o 14.310  1.8830 -3.469000      3.765000  
1 1 1 12 9  5  o 27.350  1.0380 0.1154000      2.077000  
1 1 1 12 9  6  o 28.090  1.2380 -3.841000      2.475000  
1 1 1 12 9  7  o 6.7160  2.1360 -2.469000      4.271000  
1 1 1 12 9  8  o 12.530  2.2450 3.848000       4.491000  
1 1 1 12 9  9  o 6.0850  2.0310 -1.175000      4.062000  
1 1 1 12 9  10 o 21.630  1.6660 -0.1828000     3.332000  
1 1 1 12 9  11 o 11.840  2.3200 5.831000       4.641000  
1 1 1 12 9  12 o 19.840  2.0610 4.122000       4.121000  
1 1 1 12 9  13 o 16.720  2.4000 5.912000       4.799000  
1 1 1 12 9  14 o 21.190  2.7400 2.100000       5.480000  
1 1 1 12 9  15 o 18.780  2.0190 -0.9308000     4.038000  
1 1 1 12 9  16 o 9.3600  3.2160 1.029000       6.432000  
1 1 1 12 10 0  o 17.390  1.6580 -0.000000      0.000000  
1 1 1 12 10 1  o 23.450  0.8126 2.818000       1.625000  
1 1 1 12 10 2  o 42.830  0.8037 -3.241000      1.607000  
1 1 1 12 10 3  o 18.570  1.0910 0.2938000      2.182000  
1 1 1 12 10 4  o 12.600  1.7170 2.244000       3.435000  
1 1 1 12 10 5  o 6.3830  1.9220 -3.760000      3.844000  
1 1 1 12 10 6  o 19.760  1.2320 -2.792000      2.465000  
1 1 1 12 10 7  o 14.740  2.0250 -6.978000      4.050000  
1 1 1 12 10 8  o 16.920  1.6390 -0.8579000     3.277000  
1 1 1 12 10 9  o 28.400  1.0460 -2.067000      2.093000  
1 1 1 12 10 10 o 19.700  1.5030 -2.510000      3.005000  
1 1 1 12 10 11 o 23.010  1.4420 -1.931000      2.885000  
1 1 1 12 10 12 o 21.660  1.8500 -10.62000      3.699000  
1 1 1 12 10 13 o 9.2320  2.5910 -4.644000      5.182000  
1 1 1 12 10 14 o 11.130  3.4200 2.907000       6.841000  
1 1 1 12 11 0  o 11.740  6.1260 -0.000000      0.000000  
1 1 1 12 11 1  o 17.020  3.6050 -5.921000      7.210000  
1 1 1 12 11 2  o 13.940  3.6340 1.466000       7.268000  
1 1 1 12 11 3  o 14.900  1.3010 -2.635000      2.602000  
1 1 1 12 11 4  o 12.200  2.0250 -1.033000      4.049000  
1 1 1 12 11 5  o 13.040  2.1200 5.810000       4.240000  
1 1 1 12 11 6  o 15.820  1.9320 -2.856000      3.864000  
1 1 1 12 11 7  f 11.400  1.9210 -1.406000      3.842000  
1 1 1 12 11 8  o 14.830  1.7690 -5.174000      3.538000  
1 1 1 12 11 9  o 8.6580  2.2470 -0.4762000     4.494000  
1 1 1 12 11 10 o 8.3550  2.2970 -2.493000      4.594000  
1 1 1 12 11 11 o 8.7580  2.3450 -4.266000      4.690000  
1 1 1 12 12 0  o 32.380  3.1520 -0.000000      0.000000  
1 1 1 12 12 1  o 15.640  3.3650 6.030000       6.730000  
1 1 1 12 12 2  o 13.040  3.4710 2.021000       6.941000  
1 1 1 12 12 3  o 22.870  2.6940 -0.1538000     5.389000  
1 1 1 12 12 4  o 12.090  1.2870 0.2557000      2.573000  
1 1 1 12 12 5  o 18.270  1.1840 -1.563000      2.368000  
1 1 1 12 12 6  o 12.910  1.8280 -5.825000      3.657000  
1 1 1 12 12 7  o 12.200  2.2150 -1.151000      4.430000  
1 1 1 12 12 8  o 9.2000  3.7680 ?              ?         
1 1 1 13 0  1  o 6.8600  4.4360 -0.000000      0.000000  
1 1 1 13 0  2  o 20.960  3.8040 -0.000000      0.000000  
1 1 1 13 0  3  o 6.7360  4.3270 -0.000000      0.000000  
1 1 1 13 0  4  o 23.400  3.1240 -0.000000      0.000000  
1 1 1 13 0  5  o 20.520  3.9050 -0.000000      0.000000  
1 1 1 13 0  6  o 7.1130  4.5230 -0.000000      0.000000  
1 1 1 13 0  7  o 8.4730  4.9300 -0.000000      0.000000  
1 1 1 13 0  8  o 8.7990  5.0550 -0.000000      0.000000  
1 1 1 13 0  9  o 25.730  2.8840 -0.000000      0.000000  
1 1 1 13 0  10 o 46.750  1.9210 -0.000000      0.000000  
1 1 1 13 0  11 o 8.7630  4.8560 -0.000000      0.000000  
1 1 1 13 0  12 o 11.200  5.1150 -0.000000      0.000000  
1 1 1 13 0  13 o 9.1980  4.9040 -0.000000      0.000000  
1 1 1 13 0  14 o 7.7130  4.5810 -0.000000      0.000000  
1 1 1 13 0  15 o 37.120  2.0750 -0.000000      0.000000  
1 1 1 13 0  16 f 37.710  1.7350 -0.000000      0.000000  
1 1 1 13 0  17 o 6.6170  4.1900 -0.000000      0.000000  
1 1 1 13 0  18 o 7.9520  4.9910 -0.000000      0.000000  
1 1 1 13 1  0  o 23.090  3.3050 -0.000000      0.000000  
1 1 1 13 1  1  o 35.690  1.4420 -2.576000      2.884000  
1 1 1 13 1  2  o 25.400  2.1170 -9.404000      4.234000  
1 1 1 13 1  3  o 21.940  2.3720 10.65000       4.744000  
1 1 1 13 1  4  o 12.340  3.0460 3.049000       6.092000  
1 1 1 13 1  5  o 28.760  1.7680 -3.700000      3.537000  
1 1 1 13 1  6  o 9.3240  2.8730 0.3331000E-01  5.746000  
1 1 1 13 1  7  o 13.840  3.1100 -1.039000      6.221000  
1 1 1 13 1  8  o 9.3140  2.8550 0.1610000      5.710000  
1 1 1 13 1  9  o 11.410  3.2020 -1.244000      6.404000  
1 1 1 13 1  10 o 20.660  2.6460 18.56000       5.293000  
1 1 1 13 1  11 o 13.200  2.9350 0.4299000      5.869000  
1 1 1 13 1  12 o 26.860  1.6770 -0.2805000     3.354000  
1 1 1 13 1  13 o 25.230  1.8280 -6.123000      3.655000  
1 1 1 13 1  14 o 19.370  2.4340 -5.850000      4.869000  
1 1 1 13 1  15 o 8.9780  2.7120 -1.370000      5.423000  
1 1 1 13 1  16 o 19.030  2.3840 -5.124000      4.767000  
1 1 1 13 1  17 o 14.940  2.8620 1.542000       5.724000  
1 1 1 13 1  18 o 10.460  3.2520 4.779000       6.505000  
1 1 1 13 2  0  o 16.290  4.5870 -0.000000      0.000000  
1 1 1 13 2  1  o 13.490  2.9830 -4.030000      5.966000  
1 1 1 13 2  2  o 42.020  1.1950 0.4324000      2.389000  
1 1 1 13 2  3  o 14.670  2.9060 -4.080000      5.811000  
1 1 1 13 2  4  o 14.780  2.6440 9.650000       5.288000  
1 1 1 13 2  5  o 20.290  2.4660 1.109000       4.932000  
1 1 1 13 2  6  o 12.670  2.8790 6.992000       5.759000  
1 1 1 13 2  7  o 10.860  3.0120 0.7017000      6.024000  
1 1 1 13 2  8  o 9.8190  2.8660 2.396000       5.733000  
1 1 1 13 2  9  o 11.620  3.0730 -2.701000      6.146000  
1 1 1 13 2  10 o 11.720  3.0720 -3.713000      6.145000  
1 1 1 13 2  11 o 12.440  3.0180 1.719000       6.035000  
1 1 1 13 2  12 o 7.2680  2.3980 0.2066000      4.796000  
1 1 1 13 2  13 o 8.6400  2.6650 0.5119000E-01  5.330000  
1 1 1 13 2  14 o 8.7150  2.6700 -0.7681000     5.340000  
1 1 1 13 2  15 o 7.5560  2.4160 3.743000       4.831000  
1 1 1 13 2  16 o 11.460  2.8250 -3.534000      5.650000  
1 1 1 13 2  17 o 20.210  2.2190 -6.450000      4.439000  
1 1 1 13 3  0  o 37.160  1.8100 -0.000000      0.000000  
1 1 1 13 3  1  o 23.770  1.9760 -1.540000      3.952000  
1 1 1 13 3  2  o 15.240  2.8700 -2.124000      5.740000  
1 1 1 13 3  3  o 9.5880  2.8000 -0.6479000     5.600000  
1 1 1 13 3  4  o 18.020  2.5840 -4.856000      5.168000  
1 1 1 13 3  5  o 40.300  1.2270 -1.759000      2.454000  
1 1 1 13 3  6  o 35.280  1.3690 0.6501000      2.738000  
1 1 1 13 3  7  o 13.650  2.7790 -7.040000      5.557000  
1 1 1 13 3  8  o 16.860  2.7470 -2.047000      5.495000  
1 1 1 13 3  9  o 12.580  2.6510 6.503000       5.302000  
1 1 1 13 3  10 o 7.1930  2.3920 -0.2182000     4.784000  
1 1 1 13 3  11 o 7.9950  2.5800 -5.562000      5.160000  
1 1 1 13 3  12 f 13.680  2.7670 5.397000       5.534000  
1 1 1 13 3  13 o 15.190  2.7100 -0.6120000     5.420000  
1 1 1 13 3  14 o 7.9800  2.5140 -2.257000      5.027000  
1 1 1 13 3  15 f 9.1270  2.6890 -0.3908000     5.377000  
1 1 1 13 3  16 o 8.8520  2.5690 -4.176000      5.138000  
1 1 1 13 3  17 o 8.1060  2.5320 2.041000       5.064000  
1 1 1 13 4  0  o 9.8260  4.9630 -0.000000      0.000000  
1 1 1 13 4  1  o 15.400  2.7710 -1.451000      5.542000  
1 1 1 13 4  2  o 12.840  2.9370 -1.060000      5.874000  
1 1 1 13 4  3  o 19.130  2.4230 -5.140000      4.845000  
1 1 1 13 4  4  o 25.430  1.7740 1.609000       3.548000  
1 1 1 13 4  5  o 12.220  2.9550 1.972000       5.911000  
1 1 1 13 4  6  o 32.500  1.4430 -7.597000      2.885000  
1 1 1 13 4  7  o 16.020  2.7260 -7.033000      5.453000  
1 1 1 13 4  8  o 20.130  2.3170 -1.058000      4.633000  
1 1 1 13 4  9  o 16.960  2.6370 -5.578000      5.275000  
1 1 1 13 4  10 o 11.870  2.5740 6.823000       5.148000  
1 1 1 13 4  11 o 9.3870  2.7810 -2.147000      5.562000  
1 1 1 13 4  12 o 17.470  2.5530 6.238000       5.106000  
1 1 1 13 4  13 o 7.4420  2.4360 0.1754000      4.872000  
1 1 1 13 4  14 o 12.840  2.7580 -5.319000      5.517000  
1 1 1 13 4  15 o 13.310  2.7530 -1.655000      5.507000  
1 1 1 13 4  16 o 16.670  2.4750 3.567000       4.950000  
1 1 1 13 5  0  o 43.340  1.4840 -0.000000      0.000000  
1 1 1 13 5  1  o 28.750  1.4910 -0.9364000     2.981000  
1 1 1 13 5  2  o 21.010  2.0380 -0.3125000     4.075000  
1 1 1 13 5  3  o 35.200  1.2400 -0.5774000E-01 2.480000  
1 1 1 13 5  4  o 15.220  2.7080 1.338000       5.415000  
1 1 1 13 5  5  o 15.730  2.6850 2.805000       5.370000  
1 1 1 13 5  6  o 36.750  1.3070 2.235000       2.614000  
1 1 1 13 5  7  o 35.710  1.3920 -5.363000      2.784000  
1 1 1 13 5  8  o 18.480  2.4750 3.653000       4.950000  
1 1 1 13 5  9  o 14.940  2.6740 2.388000       5.348000  
1 1 1 13 5  10 o 13.280  2.8020 -2.798000      5.603000  
1 1 1 13 5  11 o 10.490  2.7380 2.248000       5.476000  
1 1 1 13 5  12 o 9.4890  2.7420 -1.323000      5.483000  
1 1 1 13 5  13 o 10.720  2.8100 0.6790000      5.620000  
1 1 1 13 5  14 o 8.1950  2.5140 -0.5775000     5.028000  
1 1 1 13 5  15 o 8.5220  2.5260 -3.084000      5.051000  
1 1 1 13 6  0  o 30.350  1.8080 -0.000000      0.000000  
1 1 1 13 6  1  o 26.020  1.4860 -0.6988000     2.971000  
1 1 1 13 6  2  o 35.840  1.0880 -2.023000      2.175000  
1 1 1 13 6  3  o 27.980  1.3640 -3.415000      2.727000  
1 1 1 13 6  4  o 31.980  1.2560 -2.384000      2.512000  
1 1 1 13 6  5  o 22.390  1.8090 -0.9253000E-01 3.617000  
1 1 1 13 6  6  o 9.8320  2.7450 -2.674000      5.491000  
1 1 1 13 6  7  o 12.350  2.3660 8.052000       4.733000  
1 1 1 13 6  8  o 16.990  2.3180 -1.677000      4.636000  
1 1 1 13 6  9  o 12.460  2.6060 3.889000       5.212000  
1 1 1 13 6  10 f 17.070  2.4970 -9.855000      4.994000  
1 1 1 13 6  11 o 8.2740  2.5420 -1.093000      5.084000  
1 1 1 13 6  12 o 10.040  2.6380 2.188000       5.277000  
1 1 1 13 6  13 o 8.5930  2.6020 -0.3224000     5.205000  
1 1 1 13 6  14 o 19.780  2.2240 0.5717000      4.448000  
1 1 1 13 7  0  o 27.020  1.8670 -0.000000      0.000000  
1 1 1 13 7  1  o 35.230  1.0000 -0.8612000     2.000000  
1 1 1 13 7  2  o 30.370  1.1210 -0.1632000     2.243000  
1 1 1 13 7  3  o 17.250  2.2510 1.425000       4.502000  
1 1 1 13 7  4  o 15.180  2.3270 4.787000       4.654000  
1 1 1 13 7  5  o 28.210  1.2620 -0.7282000     2.524000  
1 1 1 13 7  6  o 20.620  1.7340 1.651000       3.469000  
1 1 1 13 7  7  o 26.340  1.3380 -2.018000      2.677000  
1 1 1 13 7  8  o 12.060  2.5230 -2.319000      5.047000  
1 1 1 13 7  9  o 11.620  2.0710 9.601000       4.142000  
1 1 1 13 7  10 o 9.4970  2.3100 4.874000       4.620000  
1 1 1 13 7  11 o 12.510  2.6410 -0.1880000     5.281000  
1 1 1 13 7  12 o 9.2880  2.6030 0.1450000      5.207000  
1 1 1 13 7  13 o 9.9200  2.7270 -5.737000      5.454000  
1 1 1 13 8  0  o 5.4860  3.4330 -0.000000      0.000000  
1 1 1 13 8  1  o 10.230  2.2870 3.068000       4.574000  
1 1 1 13 8  2  o 15.880  2.2020 2.737000       4.404000  
1 1 1 13 8  3  o 11.400  2.3170 0.5628000      4.635000  
1 1 1 13 8  4  o 30.690  1.0410 0.8685000      2.083000  
1 1 1 13 8  5  o 13.060  2.1150 -3.317000      4.230000  
1 1 1 13 8  6  o 14.460  2.0570 0.3770000      4.114000  
1 1 1 13 8  7  o 9.8130  2.3710 0.6037000      4.742000  
1 1 1 13 8  8  o 13.090  2.2960 -0.4474000     4.591000  
1 1 1 13 8  9  o 19.210  1.7380 -0.4747000     3.475000  
1 1 1 13 8  10 o 18.160  1.9220 -4.149000      3.845000  
1 1 1 13 8  11 o 7.5650  2.2040 3.341000       4.408000  
1 1 1 13 9  0  o 25.270  1.3190 -0.000000      0.000000  
1 1 1 13 9  1  o 16.950  1.5640 -6.911000      3.128000  
1 1 1 13 9  2  o 22.580  1.1280 -1.057000      2.255000  
1 1 1 13 9  3  o 20.130  1.3360 -1.193000      2.672000  
1 1 1 13 9  4  o 25.000  1.1490 3.819000       2.299000  
1 1 1 13 9  5  o 21.320  2.4150 9.946000       4.830000  
1 1 1 13 9  6  o 26.960  1.1420 -9.093000      2.285000  
1 1 1 13 9  7  o 8.9020  2.2930 -3.014000      4.586000  
1 1 1 13 9  8  o 9.3380  2.1930 3.195000       4.386000  
1 1 1 13 9  9  x ?       ?      ?              ?         
1 1 1 13 10 0  o 11.750  2.0850 -0.000000      0.000000  
1 1 1 13 10 1  o 11.910  1.6910 -5.195000      3.382000  
1 1 1 13 10 2  o 5.4910  1.7280 -0.5580000     3.456000  
1 1 1 13 10 3  o 21.190  1.2830 5.239000       2.565000  
1 1 1 13 10 4  o 23.430  1.1650 -5.815000      2.329000  
1 1 1 14 0  0  o 6.4750  4.3220 -0.000000      0.000000  
1 1 1 14 0  1  o 17.140  3.7060 -0.000000      0.000000  
1 1 1 14 0  2  o 16.780  3.7640 -0.000000      0.000000  
1 1 1 14 0  3  o 7.5200  4.4360 -0.000000      0.000000  
1 1 1 14 0  4  o 5.9160  3.8600 -0.000000      0.000000  
1 1 1 14 0  5  o 4.5820  3.2230 -0.000000      0.000000  
1 1 1 14 0  6  o 12.950  4.9180 -0.000000      0.000000  
1 1 1 14 0  7  o 8.1730  4.6500 -0.000000      0.000000  
1 1 1 14 0  8  o 18.120  3.6040 -0.000000      0.000000  
1 1 1 14 0  9  o 12.250  4.8910 -0.000000      0.000000  
1 1 1 14 0  10 o 6.0320  3.9550 -0.000000      0.000000  
1 1 1 14 0  11 o 8.5230  4.6630 -0.000000      0.000000  
1 1 1 14 1  0  o 22.020  2.7270 -0.000000      0.000000  
1 1 1 14 1  1  o 10.740  2.7480 0.8325000      5.495000  
1 1 1 14 1  2  o 32.250  1.2740 1.218000       2.548000  
1 1 1 14 1  3  o 9.3260  2.6730 -1.933000      5.346000  
1 1 1 14 1  4  o 15.020  2.6070 -4.115000      5.214000  
1 1 1 14 1  5  f 18.980  2.2350 3.276000       4.471000  
1 1 1 14 1  6  o 16.910  2.5670 4.976000       5.135000  
1 1 1 14 1  7  o 8.4330  2.5880 -0.9597000     5.175000  
1 1 1 14 1  8  o 21.830  1.9040 0.8521000      3.807000  
1 1 1 14 1  9  o 19.750  2.1190 -3.035000      4.237000  
1 1 1 14 1  10 o 10.740  2.8300 0.6156000      5.661000  
1 1 1 14 1  11 o 10.330  2.8130 2.998000       5.625000  
1 1 1 14 2  0  o 13.520  4.4830 -0.000000      0.000000  
1 1 1 14 2  1  o 9.5600  2.6730 1.468000       5.347000  
1 1 1 14 2  2  o 24.620  1.6110 0.3870000      3.222000  
1 1 1 14 2  3  o 15.520  2.4170 -9.897000      4.834000  
1 1 1 14 2  4  o 9.1770  2.6510 -0.8686000     5.302000  
1 1 1 14 2  5  o 24.850  1.6730 -4.124000      3.346000  
1 1 1 14 2  6  o 9.8240  2.6980 -2.384000      5.396000  
1 1 1 14 2  7  o 10.960  2.7470 2.307000       5.493000  
1 1 1 14 2  8  o 10.690  2.6800 -3.041000      5.361000  
1 1 1 14 2  9  o 14.240  2.6680 -0.5336000     5.336000  
1 1 1 14 2  10 o 10.630  2.7640 -5.473000      5.527000  
1 1 1 14 2  11 o 9.7760  2.8690 -4.502000      5.737000  
1 1 1 14 3  0  o 11.990  4.6260 -0.000000      0.000000  
1 1 1 14 3  1  o 18.950  2.0870 -4.219000      4.173000  
1 1 1 14 3  2  o 13.900  2.5660 -4.029000      5.132000  
1 1 1 14 3  3  o 22.340  1.7660 -3.422000      3.532000  
1 1 1 14 3  4  o 28.990  1.3830 -0.5961000     2.767000  
1 1 1 14 3  5  o 7.8640  2.4560 -0.2938000     4.912000  
1 1 1 14 3  6  o 24.450  1.5940 -4.379000      3.188000  
1 1 1 14 3  7  o 23.080  1.6650 4.155000       3.331000  
1 1 1 14 3  8  o 10.220  2.6280 2.296000       5.256000  
1 1 1 14 3  9  o 12.350  2.7580 0.7090000      5.515000  
1 1 1 14 3  10 o 13.300  2.8870 -3.985000      5.773000  
1 1 1 14 4  0  o 13.980  4.1370 -0.000000      0.000000  
1 1 1 14 4  1  o 22.860  1.6220 1.076000       3.243000  
1 1 1 14 4  2  o 22.140  1.6930 -2.981000      3.386000  
1 1 1 14 4  3  o 25.470  1.4340 0.3614000      2.868000  
1 1 1 14 4  4  o 14.760  2.4070 -0.4397000     4.814000  
1 1 1 14 4  5  o 9.6160  2.5890 -0.9890000     5.179000  
1 1 1 14 4  6  o 13.460  2.4690 -3.854000      4.938000  
1 1 1 14 4  7  o 15.340  2.3340 8.726000       4.669000  
1 1 1 14 4  8  f 33.240  1.3580 -5.407000      2.716000  
1 1 1 14 4  9  o 9.6810  2.6990 2.699000       5.398000  
1 1 1 14 5  0  o 16.610  3.1280 -0.000000      0.000000  
1 1 1 14 5  1  o 18.960  1.7470 -2.087000      3.495000  
1 1 1 14 5  2  o 17.800  1.8670 1.926000       3.734000  
1 1 1 14 5  3  o 16.500  2.0900 2.907000       4.181000  
1 1 1 14 5  4  o 15.260  2.2340 -0.4838000     4.468000  
1 1 1 14 5  5  o 24.830  1.3690 2.164000       2.738000  
1 1 1 14 5  6  o 9.2690  2.5610 -0.3147000     5.123000  
1 1 1 14 5  7  f 8.4480  2.5130 -1.637000      5.026000  
1 1 1 14 6  0  o 32.370  1.4320 -0.000000      0.000000  
1 1 1 14 6  1  o 21.820  1.4720 -1.941000      2.945000  
1 1 1 14 6  2  o 13.890  2.2780 2.763000       4.556000  
1 1 1 14 6  3  o 28.270  1.1430 -0.4876000     2.285000  
1 1 1 14 6  4  o 20.860  1.6730 -8.035000      3.345000  
1 1 1 14 6  5  o 11.960  2.8260 4.840000       5.651000  
# 
#END OF REFLECTIONS
